#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t9i s THR 3 N 0.00 3.45 -0.23 3.41 2.01 -1.26 -5.01 115.64 118.01 1t9i s THR 3 Ca 0.00 1.19 -0.10 0.00 0.31 0.00 0.00 61.69 63.09 1t9i s THR 3 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1t9i s THR 3 CO 0.00 0.17 0.14 -0.75 -0.69 0.00 0.00 174.62 173.49 1t9i s LYS 4 N -0.04 4.04 0.23 4.92 2.20 -1.26 -4.94 119.74 124.89 1t9i s LYS 4 Ca 0.55 -0.29 -0.02 0.00 -0.36 0.00 0.00 55.97 55.85 1t9i s LYS 4 Cb -0.34 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.46 1t9i s LYS 4 CO 0.36 0.09 0.45 0.71 -0.36 0.00 0.00 175.35 176.60 1t9i s TYR 5 N 0.96 3.48 0.22 4.03 2.02 -1.26 -5.07 117.35 121.73 1t9i s TYR 5 Ca 0.07 0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 56.93 1t9i s TYR 5 Cb -0.13 -1.95 -0.08 0.00 -0.40 0.00 0.00 41.96 39.39 1t9i s TYR 5 CO 0.03 0.30 1.09 1.21 -1.57 0.00 0.00 175.55 176.62 1t9i s ASN 6 N -3.15 7.29 0.36 2.29 3.84 -1.26 -4.94 114.94 119.37 1t9i s ASN 6 Ca 0.41 2.15 0.03 0.00 0.21 0.00 0.00 52.86 55.66 1t9i s ASN 6 Cb -0.11 -2.61 0.67 0.00 -0.55 0.00 0.00 41.25 38.65 1t9i s ASN 6 CO 0.29 -0.16 2.01 0.50 -2.79 0.00 0.00 177.10 176.95 1t9i h LYS 7 N 4.53 0.79 -0.60 0.43 3.64 -1.98 -1.37 116.57 122.01 1t9i h LYS 7 Ca -0.45 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 1t9i h LYS 7 Cb 1.21 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 1t9i h LYS 7 CO 0.70 0.52 0.10 0.93 -2.27 0.00 0.00 179.45 179.43 1t9i h GLU 8 N 0.81 0.96 -0.20 1.90 5.08 -1.99 0.11 114.58 121.25 1t9i h GLU 8 Ca 0.23 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1t9i h GLU 8 Cb -0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1t9i h GLU 8 CO -0.05 0.89 -0.03 0.35 -1.00 0.00 0.00 179.01 179.17 1t9i h PHE 9 N 0.91 0.42 -0.97 4.33 3.57 -1.82 -2.44 116.94 120.94 1t9i h PHE 9 Ca 0.19 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1t9i h PHE 9 Cb 0.40 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1t9i h PHE 9 CO 0.03 0.60 0.60 -0.07 -2.23 0.00 0.00 178.31 177.24 1t9i h LEU 10 N 0.11 1.15 -0.23 0.59 3.38 -0.94 0.74 115.31 120.10 1t9i h LEU 10 Ca 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1t9i h LEU 10 Cb 0.46 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1t9i h LEU 10 CO 0.02 0.86 0.09 -0.07 0.09 0.00 0.00 178.44 179.43 1t9i h LEU 11 N 1.33 0.32 -0.18 1.67 3.38 -0.73 0.10 115.31 121.19 1t9i h LEU 11 Ca 0.35 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1t9i h LEU 11 Cb -0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1t9i h LEU 11 CO -0.07 0.39 0.09 0.22 0.09 0.00 0.00 178.44 179.16 1t9i h TYR 12 N 0.22 0.26 -0.13 1.13 5.03 -1.23 -2.51 116.97 119.74 1t9i h TYR 12 Ca 0.08 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.30 1t9i h TYR 12 Cb 0.17 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 1t9i h TYR 12 CO -0.01 0.27 -0.29 1.25 -1.32 0.00 0.00 178.16 178.06 1t9i h LEU 13 N 0.17 0.24 -0.60 2.82 5.85 -0.74 -1.24 115.31 121.81 1t9i h LEU 13 Ca 0.06 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1t9i h LEU 13 Cb 0.10 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1t9i h LEU 13 CO -0.01 0.53 0.27 0.00 -0.34 0.00 0.00 178.44 178.88 1t9i h ALA 14 N 1.49 0.77 -0.47 1.25 0.00 -0.60 0.11 119.26 121.81 1t9i h ALA 14 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1t9i h ALA 14 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1t9i h ALA 14 CO 0.05 0.36 0.25 0.78 0.00 0.00 0.00 179.25 180.69 1t9i h GLY 15 N 0.82 0.70 1.00 0.00 0.00 -1.02 0.28 103.07 104.85 1t9i h GLY 15 Ca 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1t9i h GLY 15 CO -0.02 0.31 0.36 -2.75 0.00 0.00 0.00 176.54 174.44 1t9i h PHE 16 N 0.62 0.82 -0.48 5.60 3.57 -0.69 -2.56 116.94 123.81 1t9i h PHE 16 Ca 0.16 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1t9i h PHE 16 Cb 0.06 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1t9i h PHE 16 CO -0.02 0.57 -0.15 0.28 -2.23 0.00 0.00 178.31 176.76 1t9i h VAL 17 N 0.83 1.27 -0.78 1.41 2.07 -0.58 0.51 116.25 120.98 1t9i h VAL 17 Ca 0.22 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1t9i h VAL 17 Cb -0.01 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1t9i h VAL 17 CO -0.04 0.44 0.47 0.44 0.02 0.00 0.00 177.57 178.90 1t9i h ASP 18 N 0.82 0.93 0.55 0.57 3.32 -0.72 -1.86 116.42 120.02 1t9i h ASP 18 Ca 0.12 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 1t9i h ASP 18 Cb 0.69 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1t9i h ASP 18 CO 0.05 0.72 -1.57 0.61 -1.72 0.00 0.00 179.24 177.33 1t9i n GLY 19 N -1.29 -1.18 2.57 2.75 0.00 -0.98 -4.71 105.19 102.34 1t9i n GLY 19 Ca 0.08 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1t9i n GLY 19 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1t9i n ASN 20 N -2.74 -1.80 -3.72 1.61 5.15 0.18 -5.11 115.26 108.82 1t9i n ASN 20 Ca -0.10 -3.21 -0.10 0.00 -0.60 0.00 0.00 54.58 50.57 1t9i n ASN 20 Cb 0.79 1.08 -0.05 0.00 -0.53 0.00 0.00 39.78 41.08 1t9i n ASN 20 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1t9i s GLY 21 N -1.56 -0.10 -0.03 8.20 0.00 -0.71 -4.43 107.32 108.69 1t9i s GLY 21 Ca 0.32 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.78 1t9i s GLY 21 CO -0.17 -0.43 -0.01 -0.45 0.00 0.00 0.00 173.10 172.04 1t9i s SER 22 N -2.84 0.48 -0.32 1.64 0.15 0.09 -4.92 113.70 107.97 1t9i s SER 22 Ca 0.06 -0.04 -0.03 0.00 0.70 0.00 0.00 55.95 56.64 1t9i s SER 22 Cb 0.02 -0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.15 1t9i s SER 22 CO -0.09 -0.08 0.04 -0.63 1.20 0.00 0.00 173.24 173.69 1t9i s ILE 23 N 0.86 3.21 -0.08 6.45 1.01 -1.26 -0.91 121.20 130.48 1t9i s ILE 23 Ca -0.09 -1.39 0.02 0.00 0.00 0.00 0.00 60.65 59.19 1t9i s ILE 23 Cb -0.12 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 1t9i s ILE 23 CO -0.01 -0.18 -0.14 -0.63 0.00 0.00 0.00 174.94 173.97 1t9i s ILE 24 N 1.28 3.00 -0.06 2.92 1.01 0.33 -4.97 121.20 124.71 1t9i s ILE 24 Ca -0.03 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1t9i s ILE 24 Cb -0.20 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.08 1t9i s ILE 24 CO -0.00 0.56 -0.12 0.00 0.00 0.00 0.00 174.94 175.38 1t9i s ALA 25 N -0.26 1.23 0.08 9.38 0.00 -1.26 -0.86 121.76 130.08 1t9i s ALA 25 Ca 0.01 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1t9i s ALA 25 Cb -0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1t9i s ALA 25 CO 0.03 0.14 -0.08 -0.65 0.00 0.00 0.00 175.76 175.20 1t9i s GLN 26 N 0.51 0.75 -0.26 0.00 -0.21 0.27 -4.82 119.66 115.90 1t9i s GLN 26 Ca -0.11 -1.12 0.01 0.00 0.02 0.00 0.00 55.36 54.15 1t9i s GLN 26 Cb -0.14 -0.31 0.05 0.00 1.00 0.00 0.00 33.01 33.61 1t9i s GLN 26 CO 0.03 0.03 -0.09 0.42 -2.12 0.00 0.00 175.29 173.56 1t9i s ILE 27 N -2.67 2.47 -0.27 1.08 1.01 -1.26 -0.91 121.20 120.65 1t9i s ILE 27 Ca 0.04 -1.39 -0.07 0.00 0.00 0.00 0.00 60.65 59.22 1t9i s ILE 27 Cb -0.01 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1t9i s ILE 27 CO -0.02 0.05 0.08 -0.54 0.00 0.00 0.00 174.94 174.51 1t9i s LYS 28 N 1.20 3.43 0.18 2.79 1.02 0.29 -4.71 119.74 123.94 1t9i s LYS 28 Ca -0.05 -0.63 -0.33 0.00 0.02 0.00 0.00 55.97 54.98 1t9i s LYS 28 Cb -0.19 -3.36 -0.13 0.00 -0.52 0.00 0.00 37.83 33.64 1t9i s LYS 28 CO -0.05 -0.30 1.66 -2.30 -0.92 0.00 0.00 175.35 173.45 1t9i n PRO 29 N 4.91 2.47 -3.37 -1.68 -0.02 -1.26 -0.45 135.00 135.60 1t9i n PRO 29 Ca -0.15 0.89 0.02 0.00 -2.02 0.00 0.00 63.50 62.24 1t9i n PRO 29 Cb 0.50 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 1t9i n PRO 29 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1t9i s ASN 30 N 1.16 -1.08 0.17 2.55 3.84 -0.39 -4.85 114.94 116.34 1t9i s ASN 30 Ca 0.77 1.06 0.15 0.00 0.21 0.00 0.00 52.86 55.05 1t9i s ASN 30 Cb -0.59 2.06 0.74 0.00 -0.55 0.00 0.00 41.25 42.91 1t9i s ASN 30 CO 0.35 -0.20 1.47 0.00 -2.79 0.00 0.00 177.10 175.93 1t9i n GLN 31 N 5.37 0.09 0.00 0.43 1.13 -1.26 -2.56 117.38 120.59 1t9i n GLN 31 Ca -0.07 0.49 0.15 0.00 -1.94 0.00 0.00 57.00 55.63 1t9i n GLN 31 Cb 0.51 -1.75 0.78 0.00 0.11 0.00 0.00 30.24 29.88 1t9i n GLN 31 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1t9i n SER 32 N -1.94 0.36 -4.87 1.08 3.41 -1.26 -4.85 113.62 105.55 1t9i n SER 32 Ca 0.01 -0.88 -0.30 0.00 -0.26 0.00 0.00 58.87 57.44 1t9i n SER 32 Cb 0.09 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1t9i n SER 32 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1t9i s TYR 33 N -2.18 3.40 0.21 7.33 1.51 -1.06 -5.02 117.35 121.53 1t9i s TYR 33 Ca 0.39 0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 56.52 1t9i s TYR 33 Cb 0.21 -1.70 0.28 0.00 -0.11 0.00 0.00 41.96 40.64 1t9i s TYR 33 CO 0.40 0.56 1.69 -0.22 -1.11 0.00 0.00 175.55 176.87 1t9i h LYS 34 N 3.03 0.20 -0.67 -0.62 3.64 -1.88 -1.10 116.57 119.17 1t9i h LYS 34 Ca -0.46 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 58.72 1t9i h LYS 34 Cb 1.17 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 32.83 1t9i h LYS 34 CO 0.72 0.14 0.22 1.19 -2.27 0.00 0.00 179.45 179.44 1t9i n PHE 35 N -5.17 2.25 -1.71 1.91 3.72 -1.26 -4.92 117.46 112.28 1t9i n PHE 35 Ca 0.08 -1.19 -0.21 0.00 -0.05 0.00 0.00 57.45 56.09 1t9i n PHE 35 Cb 0.32 -0.64 -0.08 0.00 -0.94 0.00 0.00 39.48 38.14 1t9i n PHE 35 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1t9i n LYS 36 N -0.22 -1.49 -3.68 -1.08 4.76 -0.42 -4.95 118.16 111.09 1t9i n LYS 36 Ca 0.39 1.19 -0.14 0.00 -2.87 0.00 0.00 58.31 56.87 1t9i n LYS 36 Cb 1.33 -5.62 -0.08 0.00 -1.84 0.00 0.00 35.03 28.82 1t9i n LYS 36 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1t9i s HIS 37 N -2.79 -0.43 -0.12 2.13 3.76 -1.20 -1.26 115.29 115.36 1t9i s HIS 37 Ca 0.00 0.87 -0.05 0.00 -0.15 0.00 0.00 55.06 55.73 1t9i s HIS 37 Cb 0.00 0.21 -0.04 0.00 1.11 0.00 0.00 32.58 33.86 1t9i s HIS 37 CO 0.00 -0.40 0.08 -1.14 -0.85 0.00 0.00 174.74 172.43 1t9i s GLN 38 N -0.70 3.41 -0.29 1.40 0.74 0.40 -4.84 119.66 119.79 1t9i s GLN 38 Ca -0.08 -0.27 -0.18 0.00 0.05 0.00 0.00 55.36 54.88 1t9i s GLN 38 Cb -0.03 -3.07 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 1t9i s GLN 38 CO 0.04 0.64 0.52 -0.51 -0.55 0.00 0.00 175.29 175.43 1t9i s LEU 39 N -0.66 4.14 -0.05 3.68 1.43 -1.26 -0.54 118.68 125.41 1t9i s LEU 39 Ca 0.12 0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1t9i s LEU 39 Cb -0.12 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 1t9i s LEU 39 CO 0.02 -0.36 -0.25 -0.55 0.23 0.00 0.00 176.35 175.45 1t9i s SER 40 N 1.62 3.11 -0.03 2.29 0.15 -0.09 -4.99 113.70 115.77 1t9i s SER 40 Ca 0.21 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.42 1t9i s SER 40 Cb -0.15 -0.73 -0.01 0.00 -1.71 0.00 0.00 66.02 63.42 1t9i s SER 40 CO 0.11 0.27 -0.17 -0.76 1.20 0.00 0.00 173.24 173.88 1t9i s LEU 41 N -0.29 1.96 -0.05 3.45 1.43 -1.26 -0.57 118.68 123.36 1t9i s LEU 41 Ca 0.00 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1t9i s LEU 41 Cb -0.13 -0.92 0.03 0.00 0.03 0.00 0.00 46.19 45.20 1t9i s LEU 41 CO 0.02 0.18 0.12 -0.89 0.23 0.00 0.00 176.35 176.01 1t9i s THR 42 N -0.16 -0.03 -0.20 5.49 2.01 -0.04 -4.52 115.64 118.19 1t9i s THR 42 Ca 0.01 0.11 -0.07 0.00 0.31 0.00 0.00 61.69 62.05 1t9i s THR 42 Cb -0.09 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1t9i s THR 42 CO 0.01 0.05 0.07 0.12 -0.69 0.00 0.00 174.62 174.17 1t9i s PHE 43 N 0.71 3.20 -0.01 4.92 5.36 -0.28 -0.51 117.98 131.37 1t9i s PHE 43 Ca -0.05 -0.04 0.02 0.00 -0.96 0.00 0.00 56.93 55.90 1t9i s PHE 43 Cb -0.07 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 1t9i s PHE 43 CO -0.03 0.03 -0.05 -1.14 -1.46 0.00 0.00 175.22 172.56 1t9i s GLN 44 N 0.68 0.51 -0.12 10.12 0.74 -0.09 -0.97 119.66 130.53 1t9i s GLN 44 Ca 0.03 -0.19 -0.01 0.00 0.05 0.00 0.00 55.36 55.25 1t9i s GLN 44 Cb -0.13 -0.51 0.03 0.00 1.10 0.00 0.00 33.01 33.50 1t9i s GLN 44 CO 0.02 0.09 -0.07 0.08 -0.55 0.00 0.00 175.29 174.86 1t9i s VAL 45 N 0.04 1.00 -0.02 1.34 1.01 -0.35 -0.73 120.40 122.69 1t9i s VAL 45 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1t9i s VAL 45 Cb -0.04 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1t9i s VAL 45 CO -0.00 0.32 0.04 -0.89 0.00 0.00 0.00 175.10 174.57 1t9i s THR 46 N 1.71 4.48 -0.01 3.92 2.01 -1.26 0.22 115.64 126.71 1t9i s THR 46 Ca 0.04 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 1t9i s THR 46 Cb -0.13 -3.01 0.01 0.00 0.01 0.00 0.00 72.50 69.39 1t9i s THR 46 CO -0.08 0.40 0.22 -1.10 -0.69 0.00 0.00 174.62 173.37 1t9i s GLN 47 N -1.55 0.56 0.35 4.92 -1.52 -0.39 -5.00 119.66 117.03 1t9i s GLN 47 Ca 0.20 -0.28 -0.26 0.00 -1.95 0.00 0.00 55.36 53.08 1t9i s GLN 47 Cb -0.12 0.24 -0.13 0.00 -0.22 0.00 0.00 33.01 32.79 1t9i s GLN 47 CO 0.11 -0.14 0.86 1.17 -0.25 0.00 0.00 175.29 177.03 1t9i n LYS 48 N 1.42 1.06 0.27 2.91 4.81 -1.26 -0.66 118.16 126.71 1t9i n LYS 48 Ca -0.22 0.38 0.11 0.00 -0.87 0.00 0.00 58.31 57.70 1t9i n LYS 48 Cb 0.56 -1.75 0.74 0.00 0.02 0.00 0.00 35.03 34.60 1t9i n LYS 48 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1t9i h THR 49 N 1.51 0.83 -0.33 3.15 2.02 -1.51 0.19 112.91 118.77 1t9i h THR 49 Ca -0.40 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.87 1t9i h THR 49 Cb 1.36 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1t9i h THR 49 CO 0.57 0.00 0.39 -0.61 0.37 0.00 0.00 175.52 176.24 1t9i h GLN 50 N 0.00 0.00 -0.35 6.66 4.15 -1.88 -0.93 115.11 122.76 1t9i h GLN 50 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 1t9i h GLN 50 Cb 0.01 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 1t9i h GLN 50 CO -0.00 0.00 0.02 0.54 -1.93 0.00 0.00 178.83 177.46 1t9i n ARG 51 N -3.65 2.72 0.30 1.69 1.74 0.05 -4.63 116.66 114.88 1t9i n ARG 51 Ca 0.05 -2.97 0.17 0.00 -0.77 0.00 0.00 57.85 54.34 1t9i n ARG 51 Cb 0.54 -1.89 0.97 0.00 -1.02 0.00 0.00 32.46 31.06 1t9i n ARG 51 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1t9i h ARG 52 N 1.68 0.00 -0.75 5.56 0.11 -1.20 -1.79 114.38 117.98 1t9i h ARG 52 Ca 0.10 0.00 0.14 0.00 0.10 0.00 0.00 59.98 60.32 1t9i h ARG 52 Cb 1.63 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.66 1t9i h ARG 52 CO 0.34 0.03 0.50 0.11 0.10 0.00 0.00 179.97 181.05 1t9i h TRP 53 N 0.00 0.52 -0.34 4.08 5.08 -1.82 0.92 115.95 124.39 1t9i h TRP 53 Ca -0.00 0.01 -0.11 0.00 1.08 0.00 0.00 58.89 59.88 1t9i h TRP 53 Cb 0.11 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.09 1t9i h TRP 53 CO 0.00 0.20 -0.24 0.35 -1.28 0.00 0.00 178.44 177.48 1t9i h PHE 54 N 0.45 0.75 -0.23 0.12 3.04 -1.71 -0.74 116.94 118.61 1t9i h PHE 54 Ca 0.37 -0.17 -0.17 0.00 3.98 0.00 0.00 57.97 61.98 1t9i h PHE 54 Cb 0.80 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.12 1t9i h PHE 54 CO -0.00 0.84 -0.54 -0.07 -2.02 0.00 0.00 178.31 176.51 1t9i h LEU 55 N 0.58 0.76 -0.93 0.59 3.38 -1.03 -1.71 115.31 116.96 1t9i h LEU 55 Ca 0.08 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1t9i h LEU 55 Cb 0.71 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1t9i h LEU 55 CO 0.05 1.15 0.12 0.44 0.09 0.00 0.00 178.44 180.30 1t9i h ASP 56 N 0.53 0.85 0.09 -0.43 3.32 -0.62 -1.86 116.42 118.30 1t9i h ASP 56 Ca 0.01 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 1t9i h ASP 56 Cb 1.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 1t9i h ASP 56 CO 0.11 0.84 -0.37 0.11 -1.72 0.00 0.00 179.24 178.21 1t9i h LYS 57 N 0.86 0.38 -0.93 3.56 1.57 -0.98 -2.79 116.57 118.25 1t9i h LYS 57 Ca 0.18 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1t9i h LYS 57 Cb 0.34 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1t9i h LYS 57 CO 0.00 0.70 0.60 -0.07 -0.57 0.00 0.00 179.45 180.12 1t9i h LEU 58 N 0.32 1.07 -0.73 2.94 3.38 -0.52 0.20 115.31 121.97 1t9i h LEU 58 Ca 0.03 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1t9i h LEU 58 Cb 0.81 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1t9i h LEU 58 CO 0.06 0.78 0.40 0.58 0.09 0.00 0.00 178.44 180.36 1t9i h VAL 59 N 1.26 0.93 -0.25 1.22 2.07 -1.14 0.34 116.25 120.68 1t9i h VAL 59 Ca 0.34 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.48 1t9i h VAL 59 Cb -0.13 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1t9i h VAL 59 CO -0.07 0.13 -0.36 -0.78 0.02 0.00 0.00 177.57 176.51 1t9i h ASP 60 N 0.71 0.75 -0.29 0.57 3.58 -1.23 0.03 116.42 120.53 1t9i h ASP 60 Ca 0.34 -0.51 -0.16 0.00 0.42 0.00 0.00 57.03 57.12 1t9i h ASP 60 Cb 0.27 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 1t9i h ASP 60 CO -0.22 1.12 -0.44 -0.33 -2.88 0.00 0.00 179.24 176.49 1t9i h GLU 61 N 0.41 0.82 0.03 0.28 5.08 -0.60 -3.06 114.58 117.53 1t9i h GLU 61 Ca 0.03 -0.49 -0.23 0.00 -1.00 0.00 0.00 59.36 57.67 1t9i h GLU 61 Cb 0.95 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1t9i h GLU 61 CO 0.08 1.12 -1.07 0.82 -1.00 0.00 0.00 179.01 178.97 1t9i h ILE 62 N 0.59 1.66 0.00 3.13 2.04 -0.42 -3.48 117.51 121.02 1t9i h ILE 62 Ca 0.03 -3.34 0.00 0.00 1.00 0.00 0.00 64.86 62.55 1t9i h ILE 62 Cb 1.04 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1t9i h ILE 62 CO 0.10 0.95 0.00 0.61 0.00 0.00 0.00 178.15 179.81 1t9i n GLY 63 N 1.39 0.75 3.72 5.37 0.00 -0.01 -5.02 105.19 111.40 1t9i n GLY 63 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1t9i n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1t9i s VAL 64 N -2.56 0.00 0.00 1.61 -7.23 -1.19 -4.99 120.40 106.04 1t9i s VAL 64 Ca 0.00 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 1t9i s VAL 64 Cb 0.00 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.81 1t9i s VAL 64 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1t9i n GLY 65 N -0.42 -0.02 3.68 2.32 0.00 -1.26 -4.63 105.19 104.84 1t9i n GLY 65 Ca -0.03 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.96 1t9i n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1t9i s TYR 66 N -1.08 0.13 -0.11 1.61 -0.85 -0.81 -4.94 117.35 111.31 1t9i s TYR 66 Ca 0.00 -0.53 -0.00 0.00 -0.52 0.00 0.00 57.07 56.02 1t9i s TYR 66 Cb 0.00 0.39 -0.02 0.00 0.38 0.00 0.00 41.96 42.70 1t9i s TYR 66 CO 0.00 -1.07 -0.09 0.08 -1.52 0.00 0.00 175.55 172.94 1t9i s VAL 67 N -3.97 3.43 0.08 -3.49 1.01 -1.26 -0.33 120.40 115.86 1t9i s VAL 67 Ca 0.17 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 61.70 1t9i s VAL 67 Cb -0.03 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1t9i s VAL 67 CO 0.07 0.54 -0.26 0.00 0.00 0.00 0.00 175.10 175.46 1t9i s ARG 68 N -0.08 1.59 -0.14 2.72 1.04 -0.01 -4.95 118.95 119.11 1t9i s ARG 68 Ca -0.00 -1.17 -0.07 0.00 -1.04 0.00 0.00 55.73 53.45 1t9i s ARG 68 Cb -0.13 -1.87 -0.04 0.00 -2.04 0.00 0.00 34.95 30.87 1t9i s ARG 68 CO 0.03 0.47 0.10 -0.51 -0.04 0.00 0.00 175.30 175.35 1t9i s ASP 69 N -1.53 5.98 -0.42 -2.89 1.01 -1.26 -0.52 116.67 117.04 1t9i s ASP 69 Ca 0.12 0.28 0.09 0.00 0.71 0.00 0.00 52.55 53.75 1t9i s ASP 69 Cb -0.10 -1.95 0.31 0.00 1.01 0.00 0.00 42.92 42.19 1t9i s ASP 69 CO 0.03 0.30 0.68 -2.11 0.21 0.00 0.00 175.17 174.29 1t9i n ARG 70 N 2.67 1.23 0.00 8.23 1.85 -0.45 -5.00 116.66 125.19 1t9i n ARG 70 Ca -0.18 -3.58 0.00 0.00 -1.00 0.00 0.00 57.85 53.09 1t9i n ARG 70 Cb 0.54 -1.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.32 1t9i n ARG 70 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1t9i n GLY 71 N 0.67 2.10 0.26 2.89 0.00 -1.26 -3.64 105.19 106.21 1t9i n GLY 71 Ca 0.25 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1t9i n GLY 71 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1t9i h SER 72 N 0.00 0.00 -3.43 1.61 4.64 -1.98 -3.44 113.55 110.94 1t9i h SER 72 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 1t9i h SER 72 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 1t9i h SER 72 CO 0.00 0.11 -0.65 0.68 -0.87 0.00 0.00 176.83 176.10 1t9i s VAL 73 N -3.92 1.24 0.11 0.95 -7.23 -1.24 -1.41 120.40 108.91 1t9i s VAL 73 Ca -0.01 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.15 1t9i s VAL 73 Cb 0.11 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1t9i s VAL 73 CO 0.57 -0.22 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.59 1t9i s SER 74 N -3.40 1.64 -0.06 4.85 0.01 0.17 -1.34 113.70 115.57 1t9i s SER 74 Ca 0.31 -0.82 0.03 0.00 1.31 0.00 0.00 55.95 56.78 1t9i s SER 74 Cb 0.06 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.28 1t9i s SER 74 CO 0.12 -0.23 -0.14 -1.81 0.41 0.00 0.00 173.24 171.59 1t9i s ASP 75 N -2.49 1.93 -0.02 2.44 1.11 0.32 -1.27 116.67 118.69 1t9i s ASP 75 Ca 0.07 -0.33 -0.28 0.00 0.18 0.00 0.00 52.55 52.19 1t9i s ASP 75 Cb -0.03 -0.81 -0.03 0.00 1.07 0.00 0.00 42.92 43.12 1t9i s ASP 75 CO 0.01 0.07 0.91 -0.47 1.18 0.00 0.00 175.17 176.87 1t9i s TYR 76 N 0.49 3.63 -0.12 4.23 5.04 0.13 -0.83 117.35 129.92 1t9i s TYR 76 Ca -0.12 1.57 0.02 0.00 -2.44 0.00 0.00 57.07 56.10 1t9i s TYR 76 Cb -0.15 -3.04 0.01 0.00 0.35 0.00 0.00 41.96 39.13 1t9i s TYR 76 CO 0.04 0.00 -0.18 0.42 -1.34 0.00 0.00 175.55 174.49 1t9i s ILE 77 N 1.02 1.71 -0.21 3.14 -1.09 0.55 -1.21 121.20 125.10 1t9i s ILE 77 Ca 0.48 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 58.13 1t9i s ILE 77 Cb -0.20 -1.54 0.05 0.00 -1.58 0.00 0.00 42.46 39.19 1t9i s ILE 77 CO 0.25 0.48 -0.06 -0.22 -1.23 0.00 0.00 174.94 174.16 1t9i s LEU 78 N 0.90 2.30 0.00 2.97 2.96 -0.14 -1.92 118.68 125.75 1t9i s LEU 78 Ca -0.07 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.82 1t9i s LEU 78 Cb -0.15 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.41 1t9i s LEU 78 CO -0.01 -0.21 0.00 -1.20 -1.32 0.00 0.00 176.35 173.61 1t9i n SER 79 N 4.72 2.44 -4.70 3.68 7.64 -1.26 -1.13 113.62 125.01 1t9i n SER 79 Ca -0.12 -0.23 -0.42 0.00 1.01 0.00 0.00 58.87 59.11 1t9i n SER 79 Cb 0.45 0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 64.56 1t9i n SER 79 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1t9i s GLU 80 N -1.43 4.15 0.10 1.43 2.02 -1.26 -4.82 118.70 118.89 1t9i s GLU 80 Ca 0.00 2.54 -0.20 0.00 0.02 0.00 0.00 54.97 57.33 1t9i s GLU 80 Cb 0.00 -3.46 -0.08 0.00 0.10 0.00 0.00 34.13 30.69 1t9i s GLU 80 CO 0.00 -0.79 1.67 0.82 0.02 0.00 0.00 175.26 176.98 1t9i h ILE 81 N 4.49 1.13 0.15 -1.63 2.04 -1.95 -0.94 117.51 120.80 1t9i h ILE 81 Ca -0.45 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1t9i h ILE 81 Cb 1.21 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1t9i h ILE 81 CO 0.94 0.13 -0.07 0.50 0.00 0.00 0.00 178.15 179.65 1t9i h LYS 82 N 0.19 -0.19 -0.17 2.37 3.64 -2.00 -0.33 116.57 120.08 1t9i h LYS 82 Ca 0.07 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1t9i h LYS 82 Cb 0.12 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1t9i h LYS 82 CO -0.01 -0.06 -0.15 -1.35 -2.27 0.00 0.00 179.45 175.61 1t9i h PRO 83 N -0.28 0.27 -0.38 1.90 0.11 -1.97 -1.73 132.00 129.91 1t9i h PRO 83 Ca -0.02 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 1t9i h PRO 83 Cb 0.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1t9i h PRO 83 CO 0.03 0.43 0.01 1.25 -0.21 0.00 0.00 178.00 179.51 1t9i h LEU 84 N 0.26 0.66 -0.52 2.35 5.85 -0.93 -0.43 115.31 122.54 1t9i h LEU 84 Ca 0.05 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1t9i h LEU 84 Cb 0.42 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1t9i h LEU 84 CO 0.03 0.80 0.24 -0.74 -0.34 0.00 0.00 178.44 178.42 1t9i h HIS 85 N 0.50 0.76 -0.54 1.25 2.76 -0.71 -0.43 115.15 118.73 1t9i h HIS 85 Ca 0.11 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1t9i h HIS 85 Cb 0.45 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 1t9i h HIS 85 CO 0.04 0.60 0.32 -0.97 -1.30 0.00 0.00 177.93 176.62 1t9i h ASN 86 N 0.69 0.66 0.01 3.26 -1.24 -1.14 -0.45 115.58 117.36 1t9i h ASN 86 Ca 0.18 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 1t9i h ASN 86 Cb 0.14 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.02 1t9i h ASN 86 CO -0.02 0.53 -0.00 0.15 -1.29 0.00 0.00 177.43 176.80 1t9i h PHE 87 N 0.73 -0.01 -0.08 0.67 3.57 -0.91 -2.91 116.94 118.00 1t9i h PHE 87 Ca 0.19 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 1t9i h PHE 87 Cb -0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1t9i h PHE 87 CO -0.02 0.32 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.93 1t9i h LEU 88 N -0.34 0.18 -0.87 0.59 3.38 -1.04 -0.10 115.31 117.10 1t9i h LEU 88 Ca -0.00 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1t9i h LEU 88 Cb 0.34 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1t9i h LEU 88 CO 0.00 0.55 0.55 0.74 0.09 0.00 0.00 178.44 180.37 1t9i h THR 89 N 0.15 1.08 0.00 0.22 2.02 -1.05 -0.37 112.91 114.95 1t9i h THR 89 Ca 0.02 -0.35 -0.20 0.00 0.77 0.00 0.00 66.41 66.64 1t9i h THR 89 Cb 0.74 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1t9i h THR 89 CO 0.06 0.19 -0.99 1.56 0.37 0.00 0.00 175.52 176.70 1t9i h GLN 90 N 1.03 0.00 0.17 6.66 4.20 -1.23 -3.35 115.11 122.60 1t9i h GLN 90 Ca 0.37 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.78 1t9i h GLN 90 Cb 0.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.91 1t9i h GLN 90 CO -0.15 0.86 -1.35 1.25 -0.67 0.00 0.00 178.83 178.77 1t9i h LEU 91 N 0.00 0.57 -1.59 1.46 5.85 -0.82 -3.39 115.31 117.39 1t9i h LEU 91 Ca -0.04 -0.62 0.16 0.00 0.84 0.00 0.00 57.88 58.22 1t9i h LEU 91 Cb 1.73 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.52 1t9i h LEU 91 CO 0.11 1.49 0.51 0.06 -0.34 0.00 0.00 178.44 180.28 1t9i h GLN 92 N 0.10 0.38 0.00 1.25 -0.00 -1.20 -1.72 115.11 113.92 1t9i h GLN 92 Ca -0.19 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.44 1t9i h GLN 92 Cb 2.05 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.48 29.44 1t9i h GLN 92 CO 0.23 0.25 -0.01 -1.35 -0.00 0.00 0.00 178.83 177.95 1t9i h PRO 93 N 0.39 0.00 -0.02 0.06 0.11 -1.79 -2.25 132.00 128.50 1t9i h PRO 93 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1t9i h PRO 93 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1t9i h PRO 93 CO -0.12 0.01 -0.21 1.19 -0.21 0.00 0.00 178.00 178.66 1t9i n PHE 94 N -3.20 0.00 -2.80 0.65 3.72 -0.65 -4.95 117.46 110.23 1t9i n PHE 94 Ca -0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.97 1t9i n PHE 94 Cb 0.11 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.59 1t9i n PHE 94 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1t9i s LEU 95 N -2.15 4.61 -0.02 4.37 1.43 -0.85 -4.71 118.68 121.36 1t9i s LEU 95 Ca 0.23 1.85 0.05 0.00 -1.03 0.00 0.00 54.13 55.23 1t9i s LEU 95 Cb 0.18 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.79 1t9i s LEU 95 CO 0.41 0.13 0.10 0.29 0.23 0.00 0.00 176.35 177.50 1t9i n LYS 96 N 1.78 0.77 -0.01 1.70 5.02 -1.26 -4.47 118.16 121.68 1t9i n LYS 96 Ca -0.02 -0.04 -0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1t9i n LYS 96 Cb 0.48 -1.13 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 1t9i n LYS 96 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1t9i n LEU 97 N -1.79 0.00 -0.27 -0.35 4.77 -1.26 -4.74 117.00 113.36 1t9i n LEU 97 Ca -0.02 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1t9i n LEU 97 Cb 0.25 0.06 0.17 0.00 -2.33 0.00 0.00 43.42 41.56 1t9i n LEU 97 CO 0.11 0.06 0.59 0.29 -1.33 0.00 0.00 177.39 177.11 1t9i n LYS 98 N -1.93 1.60 -0.17 3.23 5.02 -1.26 -4.69 118.16 119.96 1t9i n LYS 98 Ca -0.04 -2.68 -0.08 0.00 -2.02 0.00 0.00 58.31 53.49 1t9i n LYS 98 Cb 0.41 -1.58 0.06 0.00 -0.02 0.00 0.00 35.03 33.90 1t9i n LYS 98 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1t9i h GLN 99 N 0.40 0.97 -0.60 1.97 4.15 -1.85 -1.52 115.11 118.63 1t9i h GLN 99 Ca 0.00 -0.32 -0.03 0.00 0.77 0.00 0.00 58.65 59.07 1t9i h GLN 99 Cb 1.09 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.68 1t9i h GLN 99 CO 0.05 0.99 0.24 0.87 -1.93 0.00 0.00 178.83 179.05 1t9i h LYS 100 N 0.88 0.89 -0.56 1.69 1.57 -1.94 -0.51 116.57 118.59 1t9i h LYS 100 Ca 0.15 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1t9i h LYS 100 Cb 0.60 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1t9i h LYS 100 CO 0.04 0.76 0.20 1.96 -0.57 0.00 0.00 179.45 181.83 1t9i h GLN 101 N 0.83 0.85 -0.55 3.15 7.50 -1.85 -1.94 115.11 123.09 1t9i h GLN 101 Ca 0.20 -0.17 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1t9i h GLN 101 Cb 0.20 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 27.57 1t9i h GLN 101 CO -0.02 0.76 0.35 0.00 -1.50 0.00 0.00 178.83 178.42 1t9i h ALA 102 N 1.05 0.70 -0.07 3.87 0.00 -0.83 -1.26 119.26 122.72 1t9i h ALA 102 Ca 0.18 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1t9i h ALA 102 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1t9i h ALA 102 CO -0.01 0.15 -0.47 -0.91 0.00 0.00 0.00 179.25 178.01 1t9i h ASN 103 N 0.74 0.18 -0.10 0.00 -0.26 -0.95 -1.62 115.58 113.58 1t9i h ASN 103 Ca 0.20 -0.08 -0.13 0.00 -0.56 0.00 0.00 56.30 55.73 1t9i h ASN 103 Cb -0.06 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1t9i h ASN 103 CO -0.04 0.63 -0.36 -0.07 -1.06 0.00 0.00 177.43 176.53 1t9i h LEU 104 N 0.14 0.63 -0.55 1.61 3.38 -0.97 -1.26 115.31 118.28 1t9i h LEU 104 Ca 0.01 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1t9i h LEU 104 Cb 0.89 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1t9i h LEU 104 CO 0.07 0.93 0.09 0.58 0.09 0.00 0.00 178.44 180.20 1t9i h VAL 105 N 0.51 1.25 -0.66 1.22 2.07 -0.79 -0.45 116.25 119.40 1t9i h VAL 105 Ca 0.05 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1t9i h VAL 105 Cb 0.85 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1t9i h VAL 105 CO 0.07 0.35 0.42 -0.07 0.02 0.00 0.00 177.57 178.36 1t9i h LEU 106 N 0.81 0.77 -0.46 2.57 3.38 -1.06 -0.48 115.31 120.84 1t9i h LEU 106 Ca 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1t9i h LEU 106 Cb 0.41 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1t9i h LEU 106 CO 0.01 0.58 0.25 0.50 0.09 0.00 0.00 178.44 179.87 1t9i h LYS 107 N 0.89 0.64 -0.30 1.13 3.64 -0.97 -1.90 116.57 119.70 1t9i h LYS 107 Ca 0.24 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1t9i h LYS 107 Cb -0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1t9i h LYS 107 CO -0.05 0.50 0.17 0.82 -2.27 0.00 0.00 179.45 178.63 1t9i h ILE 108 N 0.60 1.11 -0.69 2.00 2.04 -0.76 -2.56 117.51 119.26 1t9i h ILE 108 Ca 0.16 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1t9i h ILE 108 Cb 0.05 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1t9i h ILE 108 CO -0.03 0.11 0.41 0.40 0.00 0.00 0.00 178.15 179.05 1t9i h ILE 109 N 0.38 1.03 0.00 -0.67 2.04 -0.81 -1.06 117.51 118.42 1t9i h ILE 109 Ca 0.11 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1t9i h ILE 109 Cb 0.03 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1t9i h ILE 109 CO -0.02 0.14 -0.10 -0.33 0.00 0.00 0.00 178.15 177.84 1t9i h GLU 110 N 0.78 0.00 -0.19 2.37 5.08 -1.11 -2.69 114.58 118.83 1t9i h GLU 110 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1t9i h GLU 110 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1t9i h GLU 110 CO -0.15 0.10 0.00 0.94 -1.00 0.00 0.00 179.01 178.90 1t9i n GLN 111 N -3.87 2.37 -0.18 2.33 -0.06 -0.47 -4.53 117.38 112.96 1t9i n GLN 111 Ca -0.02 -2.02 -0.02 0.00 -2.00 0.00 0.00 57.00 52.93 1t9i n GLN 111 Cb 0.19 -1.48 0.08 0.00 -4.06 0.00 0.00 30.24 24.97 1t9i n GLN 111 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1t9i h LEU 112 N 4.46 0.22 -0.67 1.69 3.38 -1.01 -0.03 115.31 123.36 1t9i h LEU 112 Ca 0.00 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1t9i h LEU 112 Cb 0.96 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1t9i h LEU 112 CO 0.00 0.15 0.38 -0.65 0.09 0.00 0.00 178.44 178.41 1t9i h PRO 113 N 0.40 0.69 -0.17 1.13 0.11 -1.81 -2.45 132.00 129.89 1t9i h PRO 113 Ca 0.26 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.20 1t9i h PRO 113 Cb 0.28 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1t9i h PRO 113 CO -0.25 0.46 -0.44 0.77 -0.21 0.00 0.00 178.00 178.32 1t9i h SER 114 N 0.71 0.45 0.41 -2.05 0.02 -1.74 -3.05 113.55 108.31 1t9i h SER 114 Ca 0.29 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1t9i h SER 114 Cb 0.16 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1t9i h SER 114 CO -0.17 0.84 0.00 0.00 -1.14 0.00 0.00 176.83 176.36 1t9i n ALA 115 N -2.49 1.39 0.65 3.77 0.00 -0.07 -2.37 120.51 121.39 1t9i n ALA 115 Ca -0.02 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1t9i n ALA 115 Cb 0.52 -1.34 0.25 0.00 0.00 0.00 0.00 19.45 18.88 1t9i n ALA 115 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1t9i n LYS 116 N -2.19 2.28 0.00 0.00 5.02 -1.15 -3.50 118.16 118.63 1t9i n LYS 116 Ca 0.01 -1.93 0.04 0.00 -2.02 0.00 0.00 58.31 54.41 1t9i n LYS 116 Cb 0.14 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1t9i n LYS 116 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1t9i n GLU 117 N 1.17 3.95 -3.72 1.97 0.28 -1.00 -5.01 120.64 118.28 1t9i n GLU 117 Ca 0.18 -0.10 -0.12 0.00 -0.16 0.00 0.00 57.16 56.96 1t9i n GLU 117 Cb 0.53 -0.91 -0.11 0.00 1.43 0.00 0.00 31.44 32.39 1t9i n GLU 117 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1t9i s SER 118 N -1.66 -0.41 0.22 -1.84 0.15 -1.25 -5.04 113.70 103.87 1t9i s SER 118 Ca 0.04 0.74 -0.08 0.00 0.70 0.00 0.00 55.95 57.35 1t9i s SER 118 Cb 0.06 0.67 0.24 0.00 -1.71 0.00 0.00 66.02 65.28 1t9i s SER 118 CO 0.31 -0.16 1.84 -0.65 1.20 0.00 0.00 173.24 175.78 1t9i h PRO 119 N 6.57 0.85 -0.41 5.44 0.11 -1.95 0.15 132.00 142.77 1t9i h PRO 119 Ca -0.34 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.63 1t9i h PRO 119 Cb 1.18 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1t9i h PRO 119 CO 0.31 0.56 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.12 1t9i h ASP 120 N 0.88 0.72 -0.42 -2.05 3.32 -1.96 -0.45 116.42 116.46 1t9i h ASP 120 Ca 0.31 -0.21 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1t9i h ASP 120 Cb 0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1t9i h ASP 120 CO -0.14 0.86 -0.30 0.50 -1.72 0.00 0.00 179.24 178.44 1t9i h LYS 121 N 0.67 0.95 -0.42 3.56 1.63 -1.64 -1.00 116.57 120.32 1t9i h LYS 121 Ca 0.12 -0.46 -0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1t9i h LYS 121 Cb 0.57 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 1t9i h LYS 121 CO 0.04 1.12 0.25 0.35 -3.45 0.00 0.00 179.45 177.75 1t9i h PHE 122 N 0.79 0.56 -0.73 1.91 3.57 -0.44 -2.27 116.94 120.32 1t9i h PHE 122 Ca 0.08 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1t9i h PHE 122 Cb 0.89 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1t9i h PHE 122 CO 0.06 0.40 0.32 -0.07 -2.23 0.00 0.00 178.31 176.79 1t9i h LEU 123 N 0.55 0.97 -0.43 0.59 -0.00 -0.95 -0.56 115.31 115.48 1t9i h LEU 123 Ca 0.15 -0.13 0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1t9i h LEU 123 Cb 0.01 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.40 1t9i h LEU 123 CO -0.03 0.84 0.25 -0.08 -0.00 0.00 0.00 178.44 179.43 1t9i h GLU 124 N 1.05 0.49 -0.25 1.13 4.81 -0.76 -0.92 114.58 120.12 1t9i h GLU 124 Ca 0.25 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1t9i h GLU 124 Cb 0.16 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1t9i h GLU 124 CO -0.03 0.33 -0.11 0.28 -0.73 0.00 0.00 179.01 178.75 1t9i h VAL 125 N 0.51 1.21 -0.17 0.32 2.07 -0.93 -1.23 116.25 118.04 1t9i h VAL 125 Ca 0.17 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1t9i h VAL 125 Cb 0.01 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1t9i h VAL 125 CO -0.08 0.30 -0.04 0.00 0.02 0.00 0.00 177.57 177.77 1t9i h THR 127 N 0.24 0.53 -0.02 0.00 1.35 0.04 -1.26 112.91 113.80 1t9i h THR 127 Ca 0.06 -1.03 -0.18 0.00 -0.55 0.00 0.00 66.41 64.70 1t9i h THR 127 Cb 0.24 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 1t9i h THR 127 CO 0.01 0.20 -0.80 -0.50 -0.25 0.00 0.00 175.52 174.18 1t9i h TRP 128 N 0.00 0.32 -0.44 4.73 6.55 -1.00 -2.04 115.95 124.07 1t9i h TRP 128 Ca -0.00 -0.16 -0.03 0.00 0.95 0.00 0.00 58.89 59.65 1t9i h TRP 128 Cb 0.69 -0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 28.93 1t9i h TRP 128 CO 0.00 0.93 0.15 0.28 -1.05 0.00 0.00 178.44 178.75 1t9i h VAL 129 N 0.14 1.22 -0.95 1.49 2.07 -0.85 -2.06 116.25 117.30 1t9i h VAL 129 Ca -0.03 -0.70 0.12 0.00 0.82 0.00 0.00 66.70 66.91 1t9i h VAL 129 Cb 1.39 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 1t9i h VAL 129 CO 0.12 0.25 0.58 0.44 0.02 0.00 0.00 177.57 178.98 1t9i h ASP 130 N 0.57 0.83 -0.67 0.57 3.32 -0.98 -1.69 116.42 118.36 1t9i h ASP 130 Ca 0.14 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 1t9i h ASP 130 Cb 0.24 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1t9i h ASP 130 CO -0.01 0.43 0.25 1.56 -1.72 0.00 0.00 179.24 179.76 1t9i h GLN 131 N 0.90 1.01 -0.39 3.56 4.20 -0.82 -1.54 115.11 122.02 1t9i h GLN 131 Ca 0.48 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 1t9i h GLN 131 Cb 0.50 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1t9i h GLN 131 CO -0.28 0.85 0.18 0.82 -0.67 0.00 0.00 178.83 179.73 1t9i h ILE 132 N 0.95 1.18 -0.59 2.54 2.04 -0.70 -2.13 117.51 120.80 1t9i h ILE 132 Ca 0.22 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1t9i h ILE 132 Cb 0.23 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1t9i h ILE 132 CO -0.02 0.20 0.35 0.00 0.00 0.00 0.00 178.15 178.68 1t9i h ALA 133 N 1.03 1.50 -0.41 1.87 0.00 -1.14 -0.57 119.26 121.53 1t9i h ALA 133 Ca 0.13 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1t9i h ALA 133 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1t9i h ALA 133 CO -0.01 0.43 -0.14 0.00 0.00 0.00 0.00 179.25 179.52 1t9i h ALA 134 N 1.57 0.97 -0.10 0.00 0.00 -1.02 -2.63 119.26 118.04 1t9i h ALA 134 Ca 0.21 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1t9i h ALA 134 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1t9i h ALA 134 CO -0.04 0.61 -0.55 -0.07 0.00 0.00 0.00 179.25 179.19 1t9i h LEU 135 N 0.69 0.34-10.51 0.00 3.38 -0.68 -3.45 115.31 105.08 1t9i h LEU 135 Ca 0.11 -0.18 -0.45 0.00 0.09 0.00 0.00 57.88 57.45 1t9i h LEU 135 Cb 0.63 -0.10 0.15 0.00 0.09 0.00 0.00 40.66 41.43 1t9i h LEU 135 CO 0.04 0.83 0.28 0.20 0.09 0.00 0.00 178.44 179.88 1t9i s ASN 136 N -6.90 2.90 -1.36 -0.43 0.01 -0.30 -4.91 114.94 103.95 1t9i s ASN 136 Ca -0.05 0.83 -0.06 0.00 -0.71 0.00 0.00 52.86 52.87 1t9i s ASN 136 Cb 0.12 -1.29 0.10 0.00 0.41 0.00 0.00 41.25 40.59 1t9i s ASN 136 CO 0.80 -2.92 2.41 0.47 -1.51 0.00 0.00 177.10 176.35 1t9i n ASP 137 N -3.99 7.86 -4.73 -1.22 8.00 -1.26 -4.96 116.55 116.25 1t9i n ASP 137 Ca 0.09 -3.07 -0.42 0.00 0.71 0.00 0.00 54.79 52.10 1t9i n ASP 137 Cb 0.59 -1.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.27 1t9i n ASP 137 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1t9i s SER 138 N 0.63 6.83 0.00 -2.24 0.15 -1.26 -4.92 113.70 112.90 1t9i s SER 138 Ca 0.55 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.62 1t9i s SER 138 Cb 0.18 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1t9i s SER 138 CO -0.08 -0.60 0.00 0.29 1.20 0.00 0.00 173.24 174.05 1t9i n LYS 139 N 3.04 5.33 -0.89 5.44 5.02 -1.26 -4.92 118.16 129.93 1t9i n LYS 139 Ca 0.08 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.42 1t9i n LYS 139 Cb 0.42 -0.53 0.10 0.00 -0.02 0.00 0.00 35.03 35.00 1t9i n LYS 139 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1t9i n THR 140 N -0.13 1.02 -2.34 -0.18 -2.24 -1.26 -5.08 114.28 104.06 1t9i n THR 140 Ca 0.00 -1.84 -0.38 0.00 -2.27 0.00 0.00 64.05 59.57 1t9i n THR 140 Cb 0.00 0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 1t9i n THR 140 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1t9i s ARG 141 N -1.50 4.05 0.00 -0.78 3.52 -1.26 -4.96 118.95 118.02 1t9i s ARG 141 Ca 0.31 1.76 0.00 0.00 -0.13 0.00 0.00 55.73 57.67 1t9i s ARG 141 Cb 0.32 -2.63 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 1t9i s ARG 141 CO -0.09 -0.30 0.00 1.17 -0.81 0.00 0.00 175.30 175.27 1t9i n LYS 142 N 0.00 0.00 -3.37 5.12 4.81 -1.26 -5.04 118.16 118.42 1t9i n LYS 142 Ca 0.05 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.09 1t9i n LYS 142 Cb 0.47 -0.40 -0.09 0.00 0.02 0.00 0.00 35.03 35.03 1t9i n LYS 142 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1t9i s THR 143 N -1.95 5.15 0.47 3.15 2.01 -1.26 -4.94 115.64 118.27 1t9i s THR 143 Ca 0.00 0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1t9i s THR 143 Cb 0.00 -3.75 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 1t9i s THR 143 CO 0.00 0.08 0.05 0.35 -0.69 0.00 0.00 174.62 174.41 1t9i n THR 144 N 5.17 0.00 0.04 -0.82 -2.24 -1.26 -4.51 114.28 110.66 1t9i n THR 144 Ca -0.08 -2.38 0.02 0.00 -2.27 0.00 0.00 64.05 59.34 1t9i n THR 144 Cb 0.50 0.60 0.38 0.00 -2.10 0.00 0.00 70.33 69.71 1t9i n THR 144 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1t9i h SER 145 N 1.35 0.40 0.02 3.42 4.64 -1.94 -1.87 113.55 119.56 1t9i h SER 145 Ca -0.39 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 1t9i h SER 145 Cb 1.25 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1t9i h SER 145 CO 0.63 0.42 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.44 1t9i h GLU 146 N 0.43 0.37 -0.37 4.77 4.39 -1.95 0.08 114.58 122.29 1t9i h GLU 146 Ca 0.10 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1t9i h GLU 146 Cb 0.19 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1t9i h GLU 146 CO -0.00 0.59 0.19 1.15 -1.16 0.00 0.00 179.01 179.77 1t9i h THR 147 N 0.33 1.16 -0.35 1.13 2.02 -1.71 -1.64 112.91 113.85 1t9i h THR 147 Ca 0.05 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1t9i h THR 147 Cb 0.60 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1t9i h THR 147 CO 0.04 0.17 -0.05 0.58 0.37 0.00 0.00 175.52 176.63 1t9i h VAL 148 N 0.47 1.27 -0.73 3.16 2.07 -1.18 -2.06 116.25 119.24 1t9i h VAL 148 Ca 0.13 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.63 1t9i h VAL 148 Cb 0.10 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 1t9i h VAL 148 CO -0.02 0.36 0.42 -0.09 0.02 0.00 0.00 177.57 178.26 1t9i h ARG 149 N 0.46 0.74 -0.54 1.57 2.43 -0.79 0.17 114.38 118.43 1t9i h ARG 149 Ca 0.09 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1t9i h ARG 149 Cb 0.53 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1t9i h ARG 149 CO 0.03 0.49 0.09 0.00 -1.51 0.00 0.00 179.97 179.06 1t9i h ALA 150 N 1.38 0.71 -0.23 2.80 0.00 -1.13 -1.16 119.26 121.62 1t9i h ALA 150 Ca 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1t9i h ALA 150 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1t9i h ALA 150 CO -0.19 0.45 0.11 0.28 0.00 0.00 0.00 179.25 179.90 1t9i h VAL 151 N 0.77 1.15 -0.40 0.00 2.07 -0.61 -2.11 116.25 117.11 1t9i h VAL 151 Ca 0.16 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 1t9i h VAL 151 Cb 0.40 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1t9i h VAL 151 CO 0.01 0.14 -0.13 -0.07 0.02 0.00 0.00 177.57 177.55 1t9i h LEU 152 N 0.24 0.72 -0.69 2.57 3.38 -0.91 -2.78 115.31 117.83 1t9i h LEU 152 Ca 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1t9i h LEU 152 Cb 0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1t9i h LEU 152 CO -0.01 0.86 0.27 0.44 0.09 0.00 0.00 178.44 180.10 1t9i h ASP 153 N 0.65 0.97 0.00 -0.43 3.32 -1.06 -3.51 116.42 116.35 1t9i h ASP 153 Ca 0.11 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1t9i h ASP 153 Cb 0.59 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1t9i h ASP 153 CO 0.04 0.88 0.00 -1.20 -1.72 0.00 0.00 179.24 177.24