#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dx9 h LYS 3 N 0.00 0.40 -5.27 1.97 3.64 -1.79 -3.43 116.57 112.09 1dx9 h LYS 3 Ca 0.00 -0.09 -0.65 0.00 -1.27 0.00 0.00 60.65 58.64 1dx9 h LYS 3 Cb 0.00 -0.06 -0.26 0.00 -0.41 0.00 0.00 32.23 31.50 1dx9 h LYS 3 CO 0.00 0.47 -0.75 0.42 -2.27 0.00 0.00 179.45 177.32 1dx9 s ILE 4 N -5.41 3.18 -0.26 2.00 1.01 -0.12 -4.03 121.20 117.57 1dx9 s ILE 4 Ca -0.14 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 1dx9 s ILE 4 Cb 0.08 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1dx9 s ILE 4 CO 0.73 0.51 0.12 -0.83 0.00 0.00 0.00 174.94 175.46 1dx9 s GLY 5 N 0.52 1.83 -0.36 6.18 0.00 -0.73 -1.83 107.32 112.93 1dx9 s GLY 5 Ca -0.07 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 43.44 1dx9 s GLY 5 CO 0.04 0.58 0.17 -2.27 0.00 0.00 0.00 173.10 171.62 1dx9 s LEU 6 N 1.67 4.58 -0.29 0.66 2.96 -0.63 -0.90 118.68 126.73 1dx9 s LEU 6 Ca 0.07 -1.06 -0.09 0.00 -0.22 0.00 0.00 54.13 52.82 1dx9 s LEU 6 Cb -0.15 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1dx9 s LEU 6 CO 0.07 -0.37 0.13 -0.36 -1.32 0.00 0.00 176.35 174.50 1dx9 s PHE 7 N 1.49 3.16 0.13 5.38 0.40 0.23 -0.20 117.98 128.58 1dx9 s PHE 7 Ca 0.01 -0.49 0.07 0.00 -0.60 0.00 0.00 56.93 55.91 1dx9 s PHE 7 Cb -0.19 -2.33 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 1dx9 s PHE 7 CO 0.05 -0.41 -0.17 1.52 0.70 0.00 0.00 175.22 176.91 1dx9 s TYR 8 N 1.62 1.59 0.20 0.36 1.13 0.02 -0.38 117.35 121.90 1dx9 s TYR 8 Ca 0.05 -0.49 0.10 0.00 -1.41 0.00 0.00 57.07 55.32 1dx9 s TYR 8 Cb -0.17 -0.83 -0.04 0.00 -1.10 0.00 0.00 41.96 39.82 1dx9 s TYR 8 CO 0.06 0.20 -0.13 0.20 -2.51 0.00 0.00 175.55 173.37 1dx9 s GLY 9 N -2.32 1.73 -0.15 5.49 0.00 -0.67 -0.95 107.32 110.45 1dx9 s GLY 9 Ca 0.09 -1.57 -0.23 0.00 0.00 0.00 0.00 44.72 43.01 1dx9 s GLY 9 CO 0.04 -1.61 0.59 -1.08 0.00 0.00 0.00 173.10 171.04 1dx9 s THR 10 N -1.84 0.01 -0.26 0.90 -1.32 -1.26 -4.34 115.64 107.53 1dx9 s THR 10 Ca 0.25 -0.06 -0.12 0.00 -1.21 0.00 0.00 61.69 60.55 1dx9 s THR 10 Cb -0.08 -0.86 -0.12 0.00 -1.51 0.00 0.00 72.50 69.94 1dx9 s THR 10 CO 0.14 -0.03 -0.32 0.00 -2.21 0.00 0.00 174.62 172.20 1dx9 n GLN 11 N 2.05 0.55 -0.09 7.08 1.13 -1.26 -4.73 117.38 122.11 1dx9 n GLN 11 Ca -0.16 0.23 0.03 0.00 -1.94 0.00 0.00 57.00 55.16 1dx9 n GLN 11 Cb 0.56 -1.43 0.08 0.00 0.11 0.00 0.00 30.24 29.56 1dx9 n GLN 11 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1dx9 n THR 12 N -4.07 1.02 0.00 5.09 -2.24 -1.26 -5.00 114.28 107.82 1dx9 n THR 12 Ca -0.50 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.25 1dx9 n THR 12 Cb 0.87 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1dx9 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dx9 n GLY 13 N -0.03 0.36 0.28 3.38 0.00 -1.26 -4.97 105.19 102.95 1dx9 n GLY 13 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1dx9 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dx9 h LYS 14 N 4.62 0.98 -0.07 1.61 1.57 -1.96 -1.12 116.57 122.20 1dx9 h LYS 14 Ca 0.00 -0.36 -0.14 0.00 -1.87 0.00 0.00 60.65 58.28 1dx9 h LYS 14 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1dx9 h LYS 14 CO 0.00 1.03 -0.58 1.15 -0.57 0.00 0.00 179.45 180.48 1dx9 h THR 15 N 0.85 1.38 -0.40 -0.16 2.02 -1.94 -2.58 112.91 112.08 1dx9 h THR 15 Ca 0.14 -1.93 -0.06 0.00 0.77 0.00 0.00 66.41 65.33 1dx9 h THR 15 Cb 0.65 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 1dx9 h THR 15 CO 0.04 0.57 0.03 -0.08 0.37 0.00 0.00 175.52 176.46 1dx9 h GLU 16 N 0.16 0.69 -0.57 6.66 4.81 -1.75 -0.61 114.58 123.96 1dx9 h GLU 16 Ca -0.00 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1dx9 h GLU 16 Cb 1.07 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1dx9 h GLU 16 CO 0.09 0.75 0.36 1.03 -0.73 0.00 0.00 179.01 180.51 1dx9 h SER 17 N 0.53 0.61 -0.46 1.04 0.87 -1.15 -2.02 113.55 112.97 1dx9 h SER 17 Ca 0.12 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1dx9 h SER 17 Cb 0.42 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1dx9 h SER 17 CO 0.01 0.44 0.27 0.58 -0.53 0.00 0.00 176.83 177.60 1dx9 h VAL 18 N 0.73 1.04 -0.38 2.23 2.07 -1.24 -2.44 116.25 118.26 1dx9 h VAL 18 Ca 0.22 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1dx9 h VAL 18 Cb -0.04 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1dx9 h VAL 18 CO -0.07 0.10 0.25 0.00 0.02 0.00 0.00 177.57 177.87 1dx9 h ALA 19 N 1.21 1.76 -0.38 1.67 0.00 -0.64 -0.42 119.26 122.45 1dx9 h ALA 19 Ca 0.19 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1dx9 h ALA 19 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1dx9 h ALA 19 CO -0.09 0.22 -0.26 0.93 0.00 0.00 0.00 179.25 180.05 1dx9 h GLU 20 N 0.49 0.78 -0.35 0.00 5.08 -0.92 -0.58 114.58 119.07 1dx9 h GLU 20 Ca 0.14 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 1dx9 h GLU 20 Cb -0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1dx9 h GLU 20 CO -0.03 0.95 -0.14 0.82 -1.00 0.00 0.00 179.01 179.61 1dx9 h ILE 21 N 0.67 1.28 -0.80 3.13 2.04 -0.86 -1.39 117.51 121.58 1dx9 h ILE 21 Ca 0.09 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.71 1dx9 h ILE 21 Cb 0.78 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 1dx9 h ILE 21 CO 0.06 0.41 0.52 0.40 0.00 0.00 0.00 178.15 179.55 1dx9 h ILE 22 N 0.50 1.18 -0.59 -0.67 2.04 -1.01 -0.32 117.51 118.65 1dx9 h ILE 22 Ca 0.08 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1dx9 h ILE 22 Cb 0.67 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1dx9 h ILE 22 CO 0.05 0.19 0.39 -0.09 0.00 0.00 0.00 178.15 178.69 1dx9 h ARG 23 N 1.06 0.77 -0.28 2.37 2.43 -0.87 -1.46 114.38 118.40 1dx9 h ARG 23 Ca 0.30 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1dx9 h ARG 23 Cb -0.09 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 1dx9 h ARG 23 CO -0.08 0.51 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.23 1dx9 h ASP 24 N 0.79 0.52 -0.48 -3.80 3.32 -0.73 0.14 116.42 116.17 1dx9 h ASP 24 Ca 0.22 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1dx9 h ASP 24 Cb -0.08 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1dx9 h ASP 24 CO -0.06 0.75 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.88 1dx9 h GLU 25 N 0.47 0.85 -0.11 3.56 4.39 -0.53 -2.95 114.58 120.26 1dx9 h GLU 25 Ca 0.07 -0.27 -0.18 0.00 0.34 0.00 0.00 59.36 59.32 1dx9 h GLU 25 Cb 0.64 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1dx9 h GLU 25 CO 0.05 0.89 -0.68 0.74 -1.16 0.00 0.00 179.01 178.85 1dx9 h PHE 26 N 0.71 0.61 0.00 4.33 0.04 -1.12 -3.50 116.94 118.01 1dx9 h PHE 26 Ca 0.14 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1dx9 h PHE 26 Cb 0.51 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1dx9 h PHE 26 CO 0.04 1.00 0.00 0.41 -0.60 0.00 0.00 178.31 179.16 1dx9 n GLY 27 N 0.47 2.89 0.07 -1.45 0.00 0.46 -4.80 105.19 102.83 1dx9 n GLY 27 Ca -0.04 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 44.75 1dx9 n GLY 27 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dx9 n ASN 28 N 0.00 0.32 0.06 1.61 0.23 -1.22 -1.55 115.26 114.71 1dx9 n ASN 28 Ca 0.00 0.61 0.13 0.00 -0.53 0.00 0.00 54.58 54.79 1dx9 n ASN 28 Cb 0.00 -0.67 0.42 0.00 -2.08 0.00 0.00 39.78 37.45 1dx9 n ASN 28 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1dx9 n ASP 29 N -1.89 0.53 -0.04 0.53 5.75 -1.26 -3.89 116.55 116.28 1dx9 n ASP 29 Ca 0.01 0.41 0.05 0.00 -0.01 0.00 0.00 54.79 55.25 1dx9 n ASP 29 Cb 0.12 -0.47 -0.16 0.00 -1.03 0.00 0.00 41.12 39.57 1dx9 n ASP 29 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1dx9 n VAL 30 N -1.95 0.39 -4.23 2.12 0.31 -0.59 -4.69 118.33 109.69 1dx9 n VAL 30 Ca 0.06 -0.58 -0.19 0.00 -0.01 0.00 0.00 64.34 63.61 1dx9 n VAL 30 Cb 0.40 -0.13 -0.16 0.00 -0.91 0.00 0.00 33.84 33.04 1dx9 n VAL 30 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1dx9 s VAL 31 N -3.17 0.58 -0.08 2.52 0.11 -1.23 -0.94 120.40 118.18 1dx9 s VAL 31 Ca -0.08 -0.20 -0.01 0.00 -2.93 0.00 0.00 61.98 58.75 1dx9 s VAL 31 Cb 0.11 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1dx9 s VAL 31 CO 0.85 0.21 -0.02 0.42 -3.33 0.00 0.00 175.10 173.23 1dx9 s THR 32 N 0.53 4.10 -0.02 5.04 -4.23 -0.76 -4.85 115.64 115.45 1dx9 s THR 32 Ca -0.07 -0.33 -0.18 0.00 -1.18 0.00 0.00 61.69 59.93 1dx9 s THR 32 Cb -0.11 -2.71 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 1dx9 s THR 32 CO 0.00 0.60 0.50 -0.76 -0.54 0.00 0.00 174.62 174.43 1dx9 s LEU 33 N -0.82 4.41 -0.10 4.79 1.02 -1.26 -1.61 118.68 125.11 1dx9 s LEU 33 Ca 0.13 1.02 0.01 0.00 0.02 0.00 0.00 54.13 55.30 1dx9 s LEU 33 Cb -0.11 -2.75 0.02 0.00 0.02 0.00 0.00 46.19 43.36 1dx9 s LEU 33 CO 0.02 0.16 -0.10 -1.00 0.02 0.00 0.00 176.35 175.45 1dx9 s HIS 34 N -0.35 1.57 -0.22 0.29 3.76 0.72 -4.95 115.29 116.12 1dx9 s HIS 34 Ca 0.27 -0.73 -0.28 0.00 -0.15 0.00 0.00 55.06 54.16 1dx9 s HIS 34 Cb -0.17 -1.23 0.00 0.00 1.11 0.00 0.00 32.58 32.30 1dx9 s HIS 34 CO 0.14 -0.45 0.99 0.34 -0.85 0.00 0.00 174.74 174.92 1dx9 s ASP 35 N 1.31 7.07 0.07 1.40 -1.08 -1.26 -0.80 116.67 123.37 1dx9 s ASP 35 Ca -0.02 1.33 0.17 0.00 -0.52 0.00 0.00 52.55 53.51 1dx9 s ASP 35 Cb -0.14 -2.52 0.72 0.00 -1.46 0.00 0.00 42.92 39.52 1dx9 s ASP 35 CO -0.04 -0.61 1.53 1.33 0.52 0.00 0.00 175.17 177.90 1dx9 n VAL 36 N 5.20 0.95 0.27 1.11 0.24 -0.12 -1.46 118.33 124.51 1dx9 n VAL 36 Ca 0.10 0.24 0.15 0.00 -2.04 0.00 0.00 64.34 62.79 1dx9 n VAL 36 Cb 0.47 -1.04 0.70 0.00 -1.47 0.00 0.00 33.84 32.50 1dx9 n VAL 36 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1dx9 h SER 37 N 0.00 0.00 0.00 -1.34 4.64 -1.85 -3.19 113.55 111.81 1dx9 h SER 37 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dx9 h SER 37 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1dx9 h SER 37 CO 0.00 0.09 -0.20 0.00 -0.87 0.00 0.00 176.83 175.85 1dx9 n GLN 38 N -3.30 5.62 -2.21 4.77 1.13 -0.54 -5.06 117.38 117.80 1dx9 n GLN 38 Ca -0.01 -0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 1dx9 n GLN 38 Cb 0.29 -0.69 -0.02 0.00 0.11 0.00 0.00 30.24 29.94 1dx9 n GLN 38 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dx9 s ALA 39 N -1.38 3.04 0.03 -1.58 0.00 -0.61 -5.03 121.76 116.23 1dx9 s ALA 39 Ca 0.01 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 1dx9 s ALA 39 Cb 0.03 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1dx9 s ALA 39 CO 0.16 -0.42 0.13 -2.00 0.00 0.00 0.00 175.76 173.63 1dx9 s GLU 40 N -4.38 3.20 0.56 0.00 2.56 -1.26 -4.95 118.70 114.43 1dx9 s GLU 40 Ca 0.58 -0.48 0.34 0.00 0.00 0.00 0.00 54.97 55.41 1dx9 s GLU 40 Cb -0.11 -2.93 1.58 0.00 2.00 0.00 0.00 34.13 34.67 1dx9 s GLU 40 CO 0.38 0.63 2.08 -0.24 -0.56 0.00 0.00 175.26 177.55 1dx9 h VAL 41 N 2.73 0.20 0.00 3.70 3.04 -1.96 -1.23 116.25 122.73 1dx9 h VAL 41 Ca -0.48 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 1dx9 h VAL 41 Cb 1.17 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1dx9 h VAL 41 CO 0.68 0.05 0.00 0.35 -1.01 0.00 0.00 177.57 177.64 1dx9 n THR 42 N -3.25 0.65 0.28 3.17 -2.24 -1.26 -2.40 114.28 109.23 1dx9 n THR 42 Ca -0.01 -0.22 0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1dx9 n THR 42 Cb 0.25 -0.68 0.83 0.00 -2.10 0.00 0.00 70.33 68.64 1dx9 n THR 42 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1dx9 h ASP 43 N 0.00 0.00 0.48 3.42 3.32 -1.63 -1.88 116.42 120.13 1dx9 h ASP 43 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1dx9 h ASP 43 Cb 0.69 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1dx9 h ASP 43 CO 0.00 0.02 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.27 1dx9 h LEU 44 N 0.00 0.00 -1.51 1.55 3.38 -1.62 -2.58 115.31 114.53 1dx9 h LEU 44 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1dx9 h LEU 44 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1dx9 h LEU 44 CO 0.00 0.21 -0.23 0.78 0.09 0.00 0.00 178.44 179.29 1dx9 h ASN 45 N 0.00 0.00 0.56 -0.43 -0.26 -1.51 -3.17 115.58 110.77 1dx9 h ASN 45 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1dx9 h ASN 45 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 1dx9 h ASN 45 CO 0.03 0.23 0.00 0.47 -1.06 0.00 0.00 177.43 177.10 1dx9 n ASP 46 N -3.75 0.15 -4.31 5.81 8.00 -0.97 -4.76 116.55 116.72 1dx9 n ASP 46 Ca -0.01 0.54 -0.27 0.00 0.71 0.00 0.00 54.79 55.75 1dx9 n ASP 46 Cb 0.34 -0.57 -0.14 0.00 -0.02 0.00 0.00 41.12 40.73 1dx9 n ASP 46 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1dx9 s TYR 47 N -3.07 2.02 -0.71 1.24 2.02 -1.20 -4.96 117.35 112.70 1dx9 s TYR 47 Ca 0.06 -0.39 0.20 0.00 -0.37 0.00 0.00 57.07 56.57 1dx9 s TYR 47 Cb 0.10 -1.16 -0.24 0.00 -0.40 0.00 0.00 41.96 40.25 1dx9 s TYR 47 CO 0.30 0.18 0.74 0.94 -1.57 0.00 0.00 175.55 176.14 1dx9 n GLN 48 N 1.45 0.50 -4.24 -0.62 -0.06 -1.26 -4.86 117.38 108.29 1dx9 n GLN 48 Ca -0.18 -0.05 -0.30 0.00 -2.00 0.00 0.00 57.00 54.48 1dx9 n GLN 48 Cb 0.53 -1.45 -0.17 0.00 -4.06 0.00 0.00 30.24 25.10 1dx9 n GLN 48 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1dx9 s TYR 49 N -3.01 2.11 -0.00 3.69 2.02 -1.26 -1.46 117.35 119.44 1dx9 s TYR 49 Ca 0.04 -1.10 0.06 0.00 -0.37 0.00 0.00 57.07 55.70 1dx9 s TYR 49 Cb 0.14 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 1dx9 s TYR 49 CO 0.82 -0.58 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.51 1dx9 s LEU 50 N 1.24 2.07 -0.13 -1.29 1.43 -0.45 -1.78 118.68 119.77 1dx9 s LEU 50 Ca -0.01 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1dx9 s LEU 50 Cb -0.14 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.07 1dx9 s LEU 50 CO -0.06 0.23 -0.19 -0.63 0.23 0.00 0.00 176.35 175.93 1dx9 s ILE 51 N -0.55 1.81 -0.27 -0.59 1.01 -0.08 -1.01 121.20 121.52 1dx9 s ILE 51 Ca 0.08 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1dx9 s ILE 51 Cb -0.08 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 1dx9 s ILE 51 CO -0.00 0.50 0.05 -0.63 0.00 0.00 0.00 174.94 174.86 1dx9 s ILE 52 N 0.99 3.87 -0.16 2.92 -1.09 0.37 -0.60 121.20 127.50 1dx9 s ILE 52 Ca -0.05 -0.57 -0.02 0.00 -2.23 0.00 0.00 60.65 57.79 1dx9 s ILE 52 Cb -0.15 -2.91 -0.02 0.00 -1.58 0.00 0.00 42.46 37.80 1dx9 s ILE 52 CO -0.04 0.20 -0.08 -0.83 -1.23 0.00 0.00 174.94 172.96 1dx9 s GLY 53 N 1.51 1.60 -0.15 6.18 0.00 0.49 -1.16 107.32 115.79 1dx9 s GLY 53 Ca 0.04 -0.94 -0.07 0.00 0.00 0.00 0.00 44.72 43.75 1dx9 s GLY 53 CO 0.01 0.00 0.34 0.00 0.00 0.00 0.00 173.10 173.45 1dx9 s PRO 55 N 2.00 3.15 0.16 0.00 0.04 -1.26 -3.96 135.00 135.13 1dx9 s PRO 55 Ca -0.04 1.60 -0.34 0.00 0.04 0.00 0.00 61.00 62.26 1dx9 s PRO 55 Cb -0.11 -1.98 -0.14 0.00 0.04 0.00 0.00 34.50 32.31 1dx9 s PRO 55 CO -0.11 -1.01 1.47 2.41 0.04 0.00 0.00 177.00 179.80 1dx9 n THR 56 N -1.61 0.26 -2.21 1.26 -1.04 -0.02 -4.32 114.28 106.59 1dx9 n THR 56 Ca 0.12 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.65 1dx9 n THR 56 Cb 0.51 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.65 1dx9 n THR 56 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dx9 s ALA 57 N 0.55 3.50 0.10 2.41 0.00 -1.26 -4.87 121.76 122.18 1dx9 s ALA 57 Ca 0.77 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 53.72 1dx9 s ALA 57 Cb -0.74 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 18.85 1dx9 s ALA 57 CO 0.43 -0.52 1.44 -0.91 0.00 0.00 0.00 175.76 176.20 1dx9 h ASN 58 N 4.33 0.73 -3.91 0.00 2.35 -1.91 -3.44 115.58 113.73 1dx9 h ASN 58 Ca -0.47 -0.45 -0.45 0.00 -0.55 0.00 0.00 56.30 54.38 1dx9 h ASN 58 Cb 1.22 -0.21 -0.30 0.00 0.05 0.00 0.00 38.32 39.08 1dx9 h ASN 58 CO 0.71 1.03 -0.80 -0.51 -1.65 0.00 0.00 177.43 176.21 1dx9 s ILE 59 N -4.44 0.90 0.00 2.81 2.07 -1.26 -5.05 121.20 116.23 1dx9 s ILE 59 Ca -0.12 -0.44 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 1dx9 s ILE 59 Cb 0.09 -0.78 0.00 0.00 0.13 0.00 0.00 42.46 41.90 1dx9 s ILE 59 CO 0.82 0.27 0.00 0.61 -1.91 0.00 0.00 174.94 174.73 1dx9 n GLY 60 N 3.13 0.58 0.00 1.50 0.00 -1.26 -4.61 105.19 104.53 1dx9 n GLY 60 Ca -0.17 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1dx9 n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dx9 n GLU 61 N 9.21 2.43 -5.10 1.61 1.02 -1.26 -4.69 120.64 123.86 1dx9 n GLU 61 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 1dx9 n GLU 61 Cb 0.00 -0.80 -0.15 0.00 -0.02 0.00 0.00 31.44 30.48 1dx9 n GLU 61 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dx9 s LEU 62 N -2.02 2.37 0.39 -4.62 1.43 -1.26 -3.54 118.68 111.44 1dx9 s LEU 62 Ca 0.00 -0.36 -0.26 0.00 -1.03 0.00 0.00 54.13 52.48 1dx9 s LEU 62 Cb 0.00 -1.45 -0.11 0.00 0.03 0.00 0.00 46.19 44.66 1dx9 s LEU 62 CO 0.00 0.30 1.24 1.67 0.23 0.00 0.00 176.35 179.79 1dx9 n GLN 63 N 2.58 1.90 -0.02 1.70 0.00 -1.26 -4.70 117.38 117.57 1dx9 n GLN 63 Ca -0.17 0.67 0.14 0.00 -0.00 0.00 0.00 57.00 57.64 1dx9 n GLN 63 Cb 0.52 -2.31 0.56 0.00 0.00 0.00 0.00 30.24 29.01 1dx9 n GLN 63 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1dx9 h SER 64 N 2.15 0.23 0.15 1.69 4.64 -1.97 -0.74 113.55 119.69 1dx9 h SER 64 Ca -0.47 0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 60.66 1dx9 h SER 64 Cb 1.30 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1dx9 h SER 64 CO 0.60 0.14 -0.77 0.44 -0.87 0.00 0.00 176.83 176.37 1dx9 h ASP 65 N 0.26 0.63 0.70 4.97 3.32 -1.95 -2.96 116.42 121.39 1dx9 h ASP 65 Ca 0.24 -0.42 -0.11 0.00 0.02 0.00 0.00 57.03 56.75 1dx9 h ASP 65 Cb 0.60 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1dx9 h ASP 65 CO -0.05 1.19 -0.55 -0.50 -1.72 0.00 0.00 179.24 177.61 1dx9 h TRP 66 N 0.35 0.00 -0.86 4.55 4.06 -1.54 -3.06 115.95 119.44 1dx9 h TRP 66 Ca -0.04 0.00 0.08 0.00 2.06 0.00 0.00 58.89 60.98 1dx9 h TRP 66 Cb 1.37 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.46 1dx9 h TRP 66 CO 0.06 0.55 0.52 1.49 -3.56 0.00 0.00 178.44 177.50 1dx9 h GLU 67 N 0.00 0.89 -0.26 0.49 4.57 -1.03 0.15 114.58 119.39 1dx9 h GLU 67 Ca -0.01 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1dx9 h GLU 67 Cb 1.05 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 1dx9 h GLU 67 CO 0.07 0.59 -0.04 0.78 -1.18 0.00 0.00 179.01 179.23 1dx9 h GLY 68 N 0.92 0.52 2.00 1.92 0.00 -1.46 -3.21 103.07 103.76 1dx9 h GLY 68 Ca 0.39 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1dx9 h GLY 68 CO -0.21 0.38 -0.39 -2.00 0.00 0.00 0.00 176.54 174.33 1dx9 h LEU 69 N 0.25 0.00 -0.97 3.11 5.85 -1.38 -3.11 115.31 119.05 1dx9 h LEU 69 Ca 0.07 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.96 1dx9 h LEU 69 Cb 0.49 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.41 1dx9 h LEU 69 CO 0.02 0.39 0.58 0.22 -0.34 0.00 0.00 178.44 179.30 1dx9 h TYR 70 N 0.00 1.02 0.00 1.25 3.20 -0.72 -1.47 116.97 120.24 1dx9 h TYR 70 Ca -0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1dx9 h TYR 70 Cb 0.87 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1dx9 h TYR 70 CO 0.00 0.25 -0.08 0.66 -1.64 0.00 0.00 178.16 177.35 1dx9 h SER 71 N 0.76 0.00 -0.05 -2.11 4.64 -1.67 -2.77 113.55 112.36 1dx9 h SER 71 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1dx9 h SER 71 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1dx9 h SER 71 CO -0.37 0.08 0.00 -0.62 -0.87 0.00 0.00 176.83 175.05 1dx9 n GLU 72 N -3.58 2.09 0.21 4.77 1.02 -0.56 -4.39 120.64 120.20 1dx9 n GLU 72 Ca -0.02 -1.84 0.15 0.00 -0.02 0.00 0.00 57.16 55.43 1dx9 n GLU 72 Cb 0.20 -1.43 0.71 0.00 -0.02 0.00 0.00 31.44 30.90 1dx9 n GLU 72 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1dx9 h LEU 73 N 4.33 0.00 -0.19 -4.62 3.38 -1.46 -0.28 115.31 116.46 1dx9 h LEU 73 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dx9 h LEU 73 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1dx9 h LEU 73 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 1dx9 n ASP 74 N -2.61 0.27 -1.25 -0.43 8.00 -1.26 -2.95 116.55 116.32 1dx9 n ASP 74 Ca -0.00 0.55 0.09 0.00 0.71 0.00 0.00 54.79 56.14 1dx9 n ASP 74 Cb 0.17 -0.62 0.29 0.00 -0.02 0.00 0.00 41.12 40.94 1dx9 n ASP 74 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1dx9 n ASP 75 N -1.79 3.65 -3.95 -2.24 8.00 -0.12 -4.88 116.55 115.23 1dx9 n ASP 75 Ca 0.04 -2.16 -0.15 0.00 0.71 0.00 0.00 54.79 53.23 1dx9 n ASP 75 Cb 0.24 -0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 40.74 1dx9 n ASP 75 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1dx9 s VAL 76 N -1.44 0.35 -0.30 2.53 0.11 -1.15 -5.01 120.40 115.49 1dx9 s VAL 76 Ca 0.42 -0.27 -0.12 0.00 -2.93 0.00 0.00 61.98 59.08 1dx9 s VAL 76 Cb 0.24 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.74 1dx9 s VAL 76 CO 0.25 0.05 0.23 -0.62 -3.33 0.00 0.00 175.10 171.68 1dx9 s ASP 77 N -0.24 6.06 0.00 3.54 2.15 -1.26 -4.96 116.67 121.96 1dx9 s ASP 77 Ca 0.00 -0.11 0.23 0.00 0.43 0.00 0.00 52.55 53.10 1dx9 s ASP 77 Cb -0.02 -2.14 0.49 0.00 -0.30 0.00 0.00 42.92 40.95 1dx9 s ASP 77 CO -0.00 -0.13 1.43 0.49 -0.17 0.00 0.00 175.17 176.78 1dx9 n PHE 78 N 5.12 0.35 -1.68 -5.34 3.72 -0.67 -4.94 117.46 114.02 1dx9 n PHE 78 Ca -0.13 -0.17 -0.47 0.00 -0.05 0.00 0.00 57.45 56.63 1dx9 n PHE 78 Cb 0.51 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.01 1dx9 n PHE 78 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1dx9 n ASN 79 N 1.16 3.44 0.00 4.37 3.02 -1.23 -1.18 115.26 124.84 1dx9 n ASN 79 Ca 0.18 1.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.73 1dx9 n ASN 79 Cb 0.53 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1dx9 n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dx9 n GLY 80 N 4.12 0.78 3.89 7.41 0.00 -1.26 -5.00 105.19 115.13 1dx9 n GLY 80 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1dx9 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dx9 s LYS 81 N -0.72 3.57 -0.19 1.61 1.02 -0.33 -4.98 119.74 119.72 1dx9 s LYS 81 Ca 0.00 -0.11 -0.09 0.00 0.02 0.00 0.00 55.97 55.79 1dx9 s LYS 81 Cb 0.00 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 1dx9 s LYS 81 CO 0.00 0.63 0.09 -0.51 -0.92 0.00 0.00 175.35 174.64 1dx9 s LEU 82 N -1.90 3.97 -0.08 3.17 1.02 -0.53 -1.65 118.68 122.68 1dx9 s LEU 82 Ca 0.29 0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.59 1dx9 s LEU 82 Cb -0.13 -2.02 0.02 0.00 0.02 0.00 0.00 46.19 44.08 1dx9 s LEU 82 CO 0.18 0.16 -0.11 -0.69 0.02 0.00 0.00 176.35 175.91 1dx9 s VAL 83 N 0.44 1.12 0.20 -1.59 1.01 0.19 -1.34 120.40 120.43 1dx9 s VAL 83 Ca 0.05 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1dx9 s VAL 83 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1dx9 s VAL 83 CO -0.00 0.36 -0.12 0.00 0.00 0.00 0.00 175.10 175.34 1dx9 s ALA 84 N 0.87 2.89 0.01 5.51 0.00 -0.18 -1.40 121.76 129.46 1dx9 s ALA 84 Ca -0.11 -1.56 0.04 0.00 0.00 0.00 0.00 51.96 50.33 1dx9 s ALA 84 Cb -0.15 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1dx9 s ALA 84 CO 0.01 0.41 -0.12 0.71 0.00 0.00 0.00 175.76 176.78 1dx9 s TYR 85 N -1.86 1.02 0.06 0.00 1.51 -1.26 -0.48 117.35 116.34 1dx9 s TYR 85 Ca 0.26 -0.27 -0.06 0.00 -1.01 0.00 0.00 57.07 55.98 1dx9 s TYR 85 Cb -0.08 -0.63 -0.01 0.00 -0.11 0.00 0.00 41.96 41.13 1dx9 s TYR 85 CO 0.15 -0.00 0.12 -0.59 -1.11 0.00 0.00 175.55 174.12 1dx9 s PHE 86 N -0.57 0.23 0.09 2.71 -0.71 -0.31 -1.05 117.98 118.37 1dx9 s PHE 86 Ca 0.02 -0.61 -0.23 0.00 -1.04 0.00 0.00 56.93 55.07 1dx9 s PHE 86 Cb -0.06 -0.15 0.06 0.00 -1.21 0.00 0.00 43.02 41.66 1dx9 s PHE 86 CO 0.00 -0.44 0.55 0.20 -1.34 0.00 0.00 175.22 174.19 1dx9 s GLY 87 N -2.54 -0.49 0.06 1.99 0.00 -0.70 -1.64 107.32 103.99 1dx9 s GLY 87 Ca 0.01 0.55 0.02 0.00 0.00 0.00 0.00 44.72 45.29 1dx9 s GLY 87 CO -0.08 0.24 0.11 -0.51 0.00 0.00 0.00 173.10 172.86 1dx9 s THR 88 N -2.98 4.80 -0.18 0.90 -4.23 -1.25 -0.85 115.64 111.85 1dx9 s THR 88 Ca -0.02 -0.61 -0.31 0.00 -1.18 0.00 0.00 61.69 59.57 1dx9 s THR 88 Cb -0.00 -3.30 0.14 0.00 1.34 0.00 0.00 72.50 70.68 1dx9 s THR 88 CO -0.06 0.16 1.12 -0.83 -0.54 0.00 0.00 174.62 174.47 1dx9 s GLY 89 N -2.32 -0.22 -0.48 3.99 0.00 -0.19 -0.84 107.32 107.26 1dx9 s GLY 89 Ca 0.30 1.97 -0.23 0.00 0.00 0.00 0.00 44.72 46.77 1dx9 s GLY 89 CO 0.22 0.83 0.79 -0.35 0.00 0.00 0.00 173.10 174.60 1dx9 s ASP 90 N -1.53 6.36 0.46 1.64 -1.08 -1.26 -4.17 116.67 117.08 1dx9 s ASP 90 Ca 0.04 -0.32 0.29 0.00 -0.52 0.00 0.00 52.55 52.05 1dx9 s ASP 90 Cb -0.01 -2.38 1.05 0.00 -1.46 0.00 0.00 42.92 40.12 1dx9 s ASP 90 CO -0.03 -0.98 1.85 0.06 0.52 0.00 0.00 175.17 176.58 1dx9 h GLN 91 N 9.06 0.00 0.00 4.34 3.07 -1.87 -0.28 115.11 129.44 1dx9 h GLN 91 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.48 1dx9 h GLN 91 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.64 1dx9 h GLN 91 CO 0.99 0.00 -0.19 0.82 0.09 0.00 0.00 178.83 180.54 1dx9 h ILE 92 N 0.00 0.19 0.00 1.86 1.08 -1.92 -3.03 117.51 115.69 1dx9 h ILE 92 Ca 0.00 -1.16 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1dx9 h ILE 92 Cb 0.61 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1dx9 h ILE 92 CO 0.00 0.06 -0.07 1.23 -0.69 0.00 0.00 178.15 178.69 1dx9 h GLY 93 N -1.00 0.00 -4.61 5.37 0.00 -1.97 -3.14 103.07 97.71 1dx9 h GLY 93 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.85 1dx9 h GLY 93 CO -0.01 0.00 -0.93 -1.72 0.00 0.00 0.00 176.54 173.88 1dx9 n TYR 94 N -3.21 2.35 0.22 5.60 4.02 -0.12 -4.91 117.16 121.10 1dx9 n TYR 94 Ca 0.00 -2.68 0.07 0.00 -0.01 0.00 0.00 57.90 55.29 1dx9 n TYR 94 Cb 0.32 -0.24 0.59 0.00 -0.02 0.00 0.00 39.34 39.99 1dx9 n TYR 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dx9 h ALA 95 N 2.60 1.92 0.00 -0.72 0.00 -1.48 -1.38 119.26 120.20 1dx9 h ALA 95 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1dx9 h ALA 95 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1dx9 h ALA 95 CO 0.63 0.06 -0.40 -0.25 0.00 0.00 0.00 179.25 179.30 1dx9 n ASP 96 N -4.50 0.57 -1.32 0.00 8.00 -1.26 -0.05 116.55 117.99 1dx9 n ASP 96 Ca -0.02 0.16 0.04 0.00 0.71 0.00 0.00 54.79 55.69 1dx9 n ASP 96 Cb 0.11 -0.08 0.06 0.00 -0.02 0.00 0.00 41.12 41.19 1dx9 n ASP 96 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1dx9 n ASN 97 N -1.90 1.15 -4.62 -2.24 4.13 -0.91 -4.37 115.26 106.49 1dx9 n ASN 97 Ca 0.05 -2.39 -0.43 0.00 1.68 0.00 0.00 54.58 53.49 1dx9 n ASN 97 Cb 0.40 -0.35 -0.03 0.00 -1.54 0.00 0.00 39.78 38.26 1dx9 n ASN 97 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1dx9 s PHE 98 N -0.67 1.68 -1.35 3.10 5.36 -0.57 -2.47 117.98 123.05 1dx9 s PHE 98 Ca 0.35 0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 1dx9 s PHE 98 Cb 0.39 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 1dx9 s PHE 98 CO -0.15 -3.71 0.00 1.04 -1.46 0.00 0.00 175.22 170.94 1dx9 n GLN 99 N 8.03 -1.18 -0.31 10.12 1.13 -1.26 -4.46 117.38 129.44 1dx9 n GLN 99 Ca 0.22 0.79 0.04 0.00 -1.94 0.00 0.00 57.00 56.11 1dx9 n GLN 99 Cb 0.45 -5.10 0.18 0.00 0.11 0.00 0.00 30.24 25.88 1dx9 n GLN 99 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1dx9 h ASP 100 N 0.00 0.72 -0.36 1.08 5.19 -1.81 -3.17 116.42 118.06 1dx9 h ASP 100 Ca -0.35 0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.16 1dx9 h ASP 100 Cb 1.22 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.59 1dx9 h ASP 100 CO 0.43 0.40 0.08 0.00 -3.12 0.00 0.00 179.24 177.03 1dx9 h ALA 101 N 1.47 0.39 0.00 3.45 0.00 -1.85 0.04 119.26 122.76 1dx9 h ALA 101 Ca 0.42 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1dx9 h ALA 101 Cb 0.39 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1dx9 h ALA 101 CO -0.25 -0.33 0.00 -0.84 0.00 0.00 0.00 179.25 177.83 1dx9 h ILE 102 N 0.20 0.00 -0.17 0.00 3.07 -1.80 -1.39 117.51 117.41 1dx9 h ILE 102 Ca 0.17 -0.53 -0.15 0.00 1.55 0.00 0.00 64.86 65.90 1dx9 h ILE 102 Cb 0.20 1.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1dx9 h ILE 102 CO -0.22 0.00 -0.47 1.23 -1.05 0.00 0.00 178.15 177.63 1dx9 h GLY 103 N 2.49 0.69 1.05 0.16 0.00 -1.05 -1.64 103.07 104.77 1dx9 h GLY 103 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 47.33 46.36 1dx9 h GLY 103 CO 0.00 0.78 -0.03 -2.22 0.00 0.00 0.00 176.54 175.07 1dx9 h ILE 104 N 0.30 1.27 -0.41 2.60 2.04 -0.94 -2.40 117.51 119.97 1dx9 h ILE 104 Ca -0.01 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.66 1dx9 h ILE 104 Cb 1.09 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1dx9 h ILE 104 CO 0.10 0.41 0.09 -0.07 0.00 0.00 0.00 178.15 178.68 1dx9 h LEU 105 N 0.85 0.63 -0.62 1.44 4.07 -1.28 -2.78 115.31 117.62 1dx9 h LEU 105 Ca 0.15 -0.24 -0.10 0.00 0.08 0.00 0.00 57.88 57.77 1dx9 h LEU 105 Cb 0.57 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1dx9 h LEU 105 CO 0.03 0.71 0.01 -0.08 -1.08 0.00 0.00 178.44 178.03 1dx9 h GLU 106 N 0.53 1.09 -0.64 1.13 4.22 -1.27 -1.62 114.58 118.02 1dx9 h GLU 106 Ca 0.13 -0.34 0.06 0.00 0.08 0.00 0.00 59.36 59.29 1dx9 h GLU 106 Cb 0.33 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1dx9 h GLU 106 CO 0.00 1.05 0.34 1.49 -2.18 0.00 0.00 179.01 179.72 1dx9 h GLU 107 N 0.99 0.61 -0.15 1.92 4.81 -1.32 0.75 114.58 122.19 1dx9 h GLU 107 Ca 0.18 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1dx9 h GLU 107 Cb 0.56 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1dx9 h GLU 107 CO 0.03 0.41 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.25 1dx9 h LYS 108 N 0.63 0.44 -0.18 1.92 1.63 -1.29 -2.73 116.57 116.99 1dx9 h LYS 108 Ca 0.29 -0.27 -0.10 0.00 -0.85 0.00 0.00 60.65 59.72 1dx9 h LYS 108 Cb 0.20 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1dx9 h LYS 108 CO -0.19 0.86 -0.34 0.82 -3.45 0.00 0.00 179.45 177.15 1dx9 h ILE 109 N 0.06 1.29 -0.51 2.00 2.04 -1.07 -2.18 117.51 119.13 1dx9 h ILE 109 Ca 0.01 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 1dx9 h ILE 109 Cb 0.82 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1dx9 h ILE 109 CO 0.06 0.43 0.20 0.28 0.00 0.00 0.00 178.15 179.12 1dx9 h SER 110 N 0.31 0.70 0.18 1.72 0.02 -0.92 -0.12 113.55 115.45 1dx9 h SER 110 Ca 0.04 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1dx9 h SER 110 Cb 0.76 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1dx9 h SER 110 CO 0.06 0.68 -0.12 1.56 -1.14 0.00 0.00 176.83 177.87 1dx9 h GLN 111 N 0.68 0.00 -0.46 3.45 4.20 -1.15 -1.31 115.11 120.52 1dx9 h GLN 111 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1dx9 h GLN 111 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1dx9 h GLN 111 CO -0.01 0.12 0.00 0.54 -0.67 0.00 0.00 178.83 178.81 1dx9 n ARG 112 N -4.11 2.13 0.00 1.46 5.12 -0.85 -4.92 116.66 115.49 1dx9 n ARG 112 Ca -0.02 -1.52 0.00 0.00 -1.93 0.00 0.00 57.85 54.38 1dx9 n ARG 112 Cb 0.20 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1dx9 n ARG 112 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dx9 n GLY 113 N 1.04 0.51 3.76 -0.13 0.00 -0.50 -1.67 105.19 108.20 1dx9 n GLY 113 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1dx9 n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dx9 s GLY 114 N -1.47 3.04 -0.25 -0.02 0.00 -0.10 -3.72 107.32 104.80 1dx9 s GLY 114 Ca 0.00 1.04 -0.13 0.00 0.00 0.00 0.00 44.72 45.63 1dx9 s GLY 114 CO 0.00 1.67 0.28 1.25 0.00 0.00 0.00 173.10 176.30 1dx9 s LYS 115 N -1.58 4.05 0.13 2.90 2.20 -0.66 -4.21 119.74 122.57 1dx9 s LYS 115 Ca 0.46 -0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.69 1dx9 s LYS 115 Cb -0.35 -3.60 -0.06 0.00 -1.51 0.00 0.00 37.83 32.31 1dx9 s LYS 115 CO 0.46 -0.11 0.97 0.99 -0.36 0.00 0.00 175.35 177.30 1dx9 s THR 116 N 1.55 4.40 0.03 3.43 2.01 -1.26 -0.64 115.64 125.16 1dx9 s THR 116 Ca 0.12 2.03 0.02 0.00 0.31 0.00 0.00 61.69 64.17 1dx9 s THR 116 Cb -0.15 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.05 1dx9 s THR 116 CO 0.08 0.33 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.58 1dx9 s VAL 117 N -0.11 0.46 0.00 3.82 1.01 -0.49 -4.91 120.40 120.18 1dx9 s VAL 117 Ca 0.47 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1dx9 s VAL 117 Cb -0.24 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1dx9 s VAL 117 CO 0.30 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1dx9 n GLY 118 N 1.87 1.16 3.63 4.51 0.00 -1.26 -4.16 105.19 110.94 1dx9 n GLY 118 Ca -0.20 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1dx9 n GLY 118 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dx9 n TYR 119 N -1.63 0.58 -3.86 1.61 4.02 -1.26 -4.15 117.16 112.47 1dx9 n TYR 119 Ca 0.00 0.38 -0.12 0.00 -0.01 0.00 0.00 57.90 58.15 1dx9 n TYR 119 Cb 0.21 -1.99 -0.13 0.00 -0.02 0.00 0.00 39.34 37.40 1dx9 n TYR 119 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1dx9 s TRP 120 N -2.48 -0.03 0.43 -0.72 -0.11 -0.56 -4.87 118.94 110.58 1dx9 s TRP 120 Ca 0.67 0.09 -0.25 0.00 1.22 0.00 0.00 56.10 57.83 1dx9 s TRP 120 Cb -0.24 0.00 -0.08 0.00 -1.50 0.00 0.00 33.47 31.65 1dx9 s TRP 120 CO 0.58 -0.05 1.24 0.45 -4.62 0.00 0.00 176.95 174.55 1dx9 s SER 121 N -0.13 6.25 0.00 5.86 0.15 -1.26 -0.26 113.70 124.31 1dx9 s SER 121 Ca -0.02 2.51 0.30 0.00 0.70 0.00 0.00 55.95 59.44 1dx9 s SER 121 Cb -0.01 -2.62 1.51 0.00 -1.71 0.00 0.00 66.02 63.19 1dx9 s SER 121 CO 0.00 -0.88 2.01 0.35 1.20 0.00 0.00 173.24 175.93 1dx9 n THR 122 N -0.11 0.00 -1.71 6.45 -2.24 -1.26 -4.75 114.28 110.67 1dx9 n THR 122 Ca 0.05 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1dx9 n THR 122 Cb 0.45 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1dx9 n THR 122 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1dx9 n ASP 123 N -0.73 3.93 0.00 3.42 8.00 -1.26 -3.09 116.55 126.82 1dx9 n ASP 123 Ca 0.20 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.75 1dx9 n ASP 123 Cb 0.22 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 39.76 1dx9 n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dx9 n GLY 124 N 3.96 0.87 3.27 0.44 0.00 -1.26 -5.08 105.19 107.40 1dx9 n GLY 124 Ca 0.16 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1dx9 n GLY 124 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dx9 s TYR 125 N -2.00 2.00 -0.31 1.61 1.51 -1.18 -5.11 117.35 113.86 1dx9 s TYR 125 Ca 0.00 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 1dx9 s TYR 125 Cb 0.00 -1.23 0.06 0.00 -0.11 0.00 0.00 41.96 40.68 1dx9 s TYR 125 CO 0.00 0.05 0.02 -0.51 -1.11 0.00 0.00 175.55 174.01 1dx9 s ASP 126 N -0.94 4.92 0.13 2.29 1.01 -1.26 -5.09 116.67 117.72 1dx9 s ASP 126 Ca 0.09 -1.40 -0.06 0.00 0.71 0.00 0.00 52.55 51.89 1dx9 s ASP 126 Cb -0.09 -1.72 -0.02 0.00 1.01 0.00 0.00 42.92 42.10 1dx9 s ASP 126 CO 0.01 -0.30 0.16 0.72 0.21 0.00 0.00 175.17 175.98 1dx9 s PHE 127 N 1.22 0.49 -0.17 4.23 -0.71 -1.26 -4.51 117.98 117.27 1dx9 s PHE 127 Ca -0.03 -0.89 -0.03 0.00 -1.04 0.00 0.00 56.93 54.94 1dx9 s PHE 127 Cb -0.20 -0.21 -0.23 0.00 -1.21 0.00 0.00 43.02 41.17 1dx9 s PHE 127 CO -0.02 -0.59 0.17 0.09 -1.34 0.00 0.00 175.22 173.53 1dx9 n ASN 128 N -0.11 1.99 -3.66 1.98 3.02 0.93 -5.02 115.26 114.40 1dx9 n ASN 128 Ca -0.09 0.09 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1dx9 n ASN 128 Cb 0.63 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 1dx9 n ASN 128 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1dx9 s ASP 129 N -6.80 -0.26 -0.27 6.41 2.15 -0.50 -4.96 116.67 112.45 1dx9 s ASP 129 Ca -0.26 -0.25 -0.25 0.00 0.43 0.00 0.00 52.55 52.22 1dx9 s ASP 129 Cb 0.07 0.46 0.10 0.00 -0.30 0.00 0.00 42.92 43.25 1dx9 s ASP 129 CO 0.71 -0.81 0.87 -0.55 -0.17 0.00 0.00 175.17 175.22 1dx9 s SER 130 N -2.78 -0.60 0.00 -0.34 0.15 -1.26 -2.69 113.70 106.18 1dx9 s SER 130 Ca 0.09 1.16 0.24 0.00 0.70 0.00 0.00 55.95 58.14 1dx9 s SER 130 Cb -0.01 1.17 1.19 0.00 -1.71 0.00 0.00 66.02 66.65 1dx9 s SER 130 CO -0.02 -0.21 1.80 0.29 1.20 0.00 0.00 173.24 176.30 1dx9 n LYS 131 N 2.42 1.34 -0.19 5.44 5.02 -1.26 -3.52 118.16 127.41 1dx9 n LYS 131 Ca -0.13 -0.51 0.11 0.00 -2.02 0.00 0.00 58.31 55.76 1dx9 n LYS 131 Cb 0.55 -1.41 0.26 0.00 -0.02 0.00 0.00 35.03 34.42 1dx9 n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dx9 n ALA 132 N -0.33 2.44 -2.55 7.82 0.00 -1.26 -4.41 120.51 122.23 1dx9 n ALA 132 Ca 0.18 -0.89 -0.42 0.00 0.00 0.00 0.00 53.44 52.30 1dx9 n ALA 132 Cb 0.21 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 1dx9 n ALA 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dx9 s LEU 133 N -1.37 4.28 -0.21 0.00 1.02 -1.23 -0.26 118.68 120.91 1dx9 s LEU 133 Ca 0.37 1.73 -0.03 0.00 0.02 0.00 0.00 54.13 56.23 1dx9 s LEU 133 Cb 0.21 -3.56 0.07 0.00 0.02 0.00 0.00 46.19 42.93 1dx9 s LEU 133 CO 0.29 -0.51 0.05 -0.13 0.02 0.00 0.00 176.35 176.07 1dx9 s ARG 134 N 1.96 0.63 -1.43 1.70 1.81 0.23 -4.87 118.95 118.97 1dx9 s ARG 134 Ca 0.53 -0.51 -0.06 0.00 -1.72 0.00 0.00 55.73 53.97 1dx9 s ARG 134 Cb -0.23 -2.04 0.04 0.00 -0.45 0.00 0.00 34.95 32.27 1dx9 s ARG 134 CO 0.22 -0.71 0.73 -1.71 -0.68 0.00 0.00 175.30 173.14 1dx9 n ASN 135 N 5.03 -2.23 0.00 0.23 5.15 -1.26 -2.16 115.26 120.02 1dx9 n ASN 135 Ca -0.08 -0.87 0.00 0.00 -0.60 0.00 0.00 54.58 53.03 1dx9 n ASN 135 Cb 0.46 -3.65 0.00 0.00 -0.53 0.00 0.00 39.78 36.06 1dx9 n ASN 135 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dx9 n GLY 136 N -1.69 0.74 3.25 8.20 0.00 -1.26 -5.02 105.19 109.41 1dx9 n GLY 136 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 1dx9 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dx9 s LYS 137 N -0.28 1.25 0.38 1.61 -2.85 -0.92 -4.55 119.74 114.39 1dx9 s LYS 137 Ca 0.00 -1.65 -0.24 0.00 -1.00 0.00 0.00 55.97 53.07 1dx9 s LYS 137 Cb 0.00 -0.06 -0.09 0.00 -2.06 0.00 0.00 37.83 35.62 1dx9 s LYS 137 CO 0.00 -0.29 1.02 -0.06 0.10 0.00 0.00 175.35 176.12 1dx9 s PHE 138 N -3.89 3.36 -0.43 1.78 0.08 0.64 0.76 117.98 120.29 1dx9 s PHE 138 Ca 0.34 1.67 0.24 0.00 0.12 0.00 0.00 56.93 59.30 1dx9 s PHE 138 Cb 0.07 -3.08 1.02 0.00 -0.57 0.00 0.00 43.02 40.46 1dx9 s PHE 138 CO 0.10 -0.43 1.73 1.55 -0.10 0.00 0.00 175.22 178.07 1dx9 n VAL 139 N 0.05 0.82 -3.43 -0.44 3.14 0.64 -1.50 118.33 117.62 1dx9 n VAL 139 Ca 0.04 0.25 -0.01 0.00 -2.96 0.00 0.00 64.34 61.67 1dx9 n VAL 139 Cb 0.50 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.08 1dx9 n VAL 139 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1dx9 n GLY 140 N -0.06 1.31 3.70 7.55 0.00 -1.26 -4.14 105.19 112.30 1dx9 n GLY 140 Ca 0.02 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1dx9 n GLY 140 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dx9 s LEU 141 N 0.00 4.36 -0.28 0.99 2.96 -0.22 -4.36 118.68 122.14 1dx9 s LEU 141 Ca 0.03 2.46 -0.07 0.00 -0.22 0.00 0.00 54.13 56.33 1dx9 s LEU 141 Cb -0.00 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 1dx9 s LEU 141 CO 0.01 -0.83 0.08 0.00 -1.32 0.00 0.00 176.35 174.30 1dx9 s ALA 142 N 2.06 3.13 0.03 5.97 0.00 -1.26 -1.72 121.76 129.97 1dx9 s ALA 142 Ca 0.71 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 51.41 1dx9 s ALA 142 Cb -0.40 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 1dx9 s ALA 142 CO 0.31 -0.73 -0.10 -0.51 0.00 0.00 0.00 175.76 174.73 1dx9 s LEU 143 N 1.56 2.99 -0.31 0.00 1.43 -0.03 -5.00 118.68 119.33 1dx9 s LEU 143 Ca 0.05 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1dx9 s LEU 143 Cb -0.16 -1.74 0.10 0.00 0.03 0.00 0.00 46.19 44.41 1dx9 s LEU 143 CO 0.03 0.26 0.09 -0.62 0.23 0.00 0.00 176.35 176.34 1dx9 s ASP 144 N -1.53 4.06 0.08 2.29 -1.08 -1.26 -1.02 116.67 118.21 1dx9 s ASP 144 Ca 0.17 -1.65 0.27 0.00 -0.52 0.00 0.00 52.55 50.83 1dx9 s ASP 144 Cb -0.11 -0.94 0.99 0.00 -1.46 0.00 0.00 42.92 41.41 1dx9 s ASP 144 CO 0.08 -0.40 1.81 -0.62 0.52 0.00 0.00 175.17 176.56 1dx9 n GLU 145 N 4.79 0.11 0.02 4.34 -0.58 -1.26 -0.85 120.64 127.22 1dx9 n GLU 145 Ca -0.02 0.08 -0.17 0.00 -0.42 0.00 0.00 57.16 56.63 1dx9 n GLU 145 Cb 0.42 -1.62 -0.14 0.00 -0.57 0.00 0.00 31.44 29.53 1dx9 n GLU 145 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1dx9 h ASP 146 N 0.00 0.34 0.00 1.62 3.32 -1.94 -3.38 116.42 116.38 1dx9 h ASP 146 Ca 0.00 -0.61 -0.05 0.00 0.02 0.00 0.00 57.03 56.39 1dx9 h ASP 146 Cb 0.60 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1dx9 h ASP 146 CO 0.00 1.53 -1.40 0.59 -1.72 0.00 0.00 179.24 178.24 1dx9 n ASN 147 N -3.39 3.24 -2.71 6.45 3.02 -1.24 -4.83 115.26 115.80 1dx9 n ASN 147 Ca -0.23 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.26 1dx9 n ASN 147 Cb 1.05 1.11 0.04 0.00 -0.61 0.00 0.00 39.78 41.37 1dx9 n ASN 147 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dx9 n GLN 148 N -1.95 1.78 0.25 3.52 6.02 -0.03 -4.86 117.38 122.11 1dx9 n GLN 148 Ca -0.05 -3.53 0.15 0.00 -0.01 0.00 0.00 57.00 53.56 1dx9 n GLN 148 Cb 0.39 -1.58 0.51 0.00 1.02 0.00 0.00 30.24 30.58 1dx9 n GLN 148 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1dx9 h SER 149 N 2.69 0.00 0.69 1.08 4.64 -1.70 -1.74 113.55 119.21 1dx9 h SER 149 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1dx9 h SER 149 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1dx9 h SER 149 CO 0.35 0.00 0.00 -2.24 -0.87 0.00 0.00 176.83 174.07 1dx9 h ASP 150 N 0.00 0.00 0.00 4.97 2.03 -1.89 -3.10 116.42 118.43 1dx9 h ASP 150 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1dx9 h ASP 150 Cb 0.67 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 1dx9 h ASP 150 CO 0.00 0.00 -1.06 0.18 -1.03 0.00 0.00 179.24 177.33 1dx9 n LEU 151 N -3.03 0.92 -0.03 0.15 4.77 -0.66 -4.69 117.00 114.44 1dx9 n LEU 151 Ca -0.00 -0.46 -0.11 0.00 -0.03 0.00 0.00 56.01 55.40 1dx9 n LEU 151 Cb 0.23 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1dx9 n LEU 151 CO 0.24 0.23 0.90 0.74 -1.33 0.00 0.00 177.39 178.17 1dx9 h THR 152 N 0.00 1.08 -0.30 -5.08 2.02 -1.53 -2.43 112.91 106.67 1dx9 h THR 152 Ca 0.00 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.88 1dx9 h THR 152 Cb 0.53 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1dx9 h THR 152 CO 0.00 0.08 -0.18 0.44 0.37 0.00 0.00 175.52 176.22 1dx9 h ASP 153 N 0.15 0.53 -0.41 4.18 5.19 -1.83 -1.85 116.42 122.39 1dx9 h ASP 153 Ca 0.05 -0.16 -0.11 0.00 -0.62 0.00 0.00 57.03 56.19 1dx9 h ASP 153 Cb 0.05 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1dx9 h ASP 153 CO -0.01 0.73 -0.16 0.44 -3.12 0.00 0.00 179.24 177.12 1dx9 h ASP 154 N 0.49 0.85 -0.47 6.45 3.32 -1.85 -1.89 116.42 123.31 1dx9 h ASP 154 Ca 0.08 -0.39 -0.10 0.00 0.02 0.00 0.00 57.03 56.64 1dx9 h ASP 154 Cb 0.59 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1dx9 h ASP 154 CO 0.04 1.05 -0.08 0.03 -1.72 0.00 0.00 179.24 178.56 1dx9 h ARG 155 N 0.65 0.94 -0.29 3.56 3.08 -1.20 -1.86 114.38 119.24 1dx9 h ARG 155 Ca 0.10 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 1dx9 h ARG 155 Cb 0.71 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1dx9 h ARG 155 CO 0.05 0.97 0.01 0.82 -1.07 0.00 0.00 179.97 180.76 1dx9 h ILE 156 N 0.84 1.25 -0.46 2.04 2.04 -1.31 0.51 117.51 122.42 1dx9 h ILE 156 Ca 0.14 -0.90 0.07 0.00 1.00 0.00 0.00 64.86 65.17 1dx9 h ILE 156 Cb 0.61 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 1dx9 h ILE 156 CO 0.04 0.29 0.12 0.50 0.00 0.00 0.00 178.15 179.10 1dx9 h LYS 157 N 0.31 0.25 -0.20 2.37 3.64 -1.28 0.73 116.57 122.40 1dx9 h LYS 157 Ca 0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1dx9 h LYS 157 Cb 0.41 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1dx9 h LYS 157 CO 0.01 0.17 0.03 0.77 -2.27 0.00 0.00 179.45 178.16 1dx9 h SER 158 N 0.26 0.32 -0.73 4.20 0.02 -1.17 -2.69 113.55 113.77 1dx9 h SER 158 Ca 0.22 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1dx9 h SER 158 Cb 0.27 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1dx9 h SER 158 CO -0.27 0.50 0.36 -0.25 -1.14 0.00 0.00 176.83 176.02 1dx9 h TRP 159 N 0.13 1.06 -0.12 3.45 7.01 -0.50 -2.15 115.95 124.82 1dx9 h TRP 159 Ca 0.06 -0.04 -0.15 0.00 2.11 0.00 0.00 58.89 60.87 1dx9 h TRP 159 Cb 0.31 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 1dx9 h TRP 159 CO 0.02 0.77 -0.56 0.28 -2.79 0.00 0.00 178.44 176.16 1dx9 h VAL 160 N 1.06 1.35 -0.42 2.65 2.07 -0.84 -0.94 116.25 121.17 1dx9 h VAL 160 Ca 0.26 -1.84 -0.07 0.00 0.82 0.00 0.00 66.70 65.86 1dx9 h VAL 160 Cb 0.11 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1dx9 h VAL 160 CO -0.03 0.56 -0.05 0.00 0.02 0.00 0.00 177.57 178.06 1dx9 h ALA 161 N 1.12 1.13 -0.28 1.67 0.00 -1.28 -2.05 119.26 119.57 1dx9 h ALA 161 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1dx9 h ALA 161 Cb 1.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1dx9 h ALA 161 CO 0.09 0.55 -0.07 0.37 0.00 0.00 0.00 179.25 180.19 1dx9 h GLN 162 N 0.65 0.54 -0.54 0.00 4.15 -0.96 -3.22 115.11 115.74 1dx9 h GLN 162 Ca 0.12 -0.21 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 1dx9 h GLN 162 Cb 0.48 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1dx9 h GLN 162 CO 0.02 0.75 0.02 -0.07 -1.93 0.00 0.00 178.83 177.63 1dx9 h LEU 163 N 0.30 0.88 -1.08 -2.39 3.38 -1.05 -2.08 115.31 113.26 1dx9 h LEU 163 Ca 0.07 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1dx9 h LEU 163 Cb 0.55 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1dx9 h LEU 163 CO 0.03 0.92 0.62 0.11 0.09 0.00 0.00 178.44 180.21 1dx9 h LYS 164 N 0.85 1.07 -0.20 1.13 1.57 -1.38 0.42 116.57 120.02 1dx9 h LYS 164 Ca 0.16 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.69 1dx9 h LYS 164 Cb 0.47 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1dx9 h LYS 164 CO 0.02 0.71 -0.60 0.77 -0.57 0.00 0.00 179.45 179.78 1dx9 h SER 165 N 1.10 0.87 0.30 0.86 0.02 -1.51 0.15 113.55 115.34 1dx9 h SER 165 Ca 0.41 -0.59 -0.16 0.00 -0.84 0.00 0.00 61.79 60.62 1dx9 h SER 165 Cb 0.19 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1dx9 h SER 165 CO -0.16 1.31 -0.63 -0.33 -1.14 0.00 0.00 176.83 175.88 1dx9 h GLU 166 N 0.49 0.32 0.00 3.45 5.08 -0.97 -2.91 114.58 120.03 1dx9 h GLU 166 Ca -0.02 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 1dx9 h GLU 166 Cb 1.22 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1dx9 h GLU 166 CO 0.13 0.85 -0.36 0.74 -1.00 0.00 0.00 179.01 179.37 1dx9 h PHE 167 N 0.23 0.00 0.00 4.33 0.04 -0.24 -3.47 116.94 117.83 1dx9 h PHE 167 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1dx9 h PHE 167 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1dx9 h PHE 167 CO 0.03 0.36 0.00 0.41 -0.60 0.00 0.00 178.31 178.51 1dx9 n GLY 168 N 0.45 0.73 0.36 -1.45 0.00 -0.85 -5.08 105.19 99.35 1dx9 n GLY 168 Ca 0.00 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.04 1dx9 n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36