#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7u s PHE 2 N 0.00 0.69 -0.08 6.00 0.08 -1.26 -1.22 117.98 122.18 1a7u s PHE 2 Ca 0.00 -0.52 0.04 0.00 0.12 0.00 0.00 56.93 56.57 1a7u s PHE 2 Cb 0.00 -0.41 0.00 0.00 -0.57 0.00 0.00 43.02 42.04 1a7u s PHE 2 CO 0.00 -0.08 -0.21 0.42 -0.10 0.00 0.00 175.22 175.25 1a7u s ILE 3 N -1.47 1.81 0.03 0.64 1.01 -0.22 -4.92 121.20 118.07 1a7u s ILE 3 Ca -0.09 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 59.40 1a7u s ILE 3 Cb -0.09 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1a7u s ILE 3 CO 0.00 0.51 0.86 -0.89 0.00 0.00 0.00 174.94 175.42 1a7u s THR 4 N 0.34 4.76 -0.01 2.92 2.01 -1.26 -0.34 115.64 124.06 1a7u s THR 4 Ca -0.16 1.83 0.00 0.00 0.31 0.00 0.00 61.69 63.68 1a7u s THR 4 Cb -0.17 -4.21 -0.00 0.00 0.01 0.00 0.00 72.50 68.13 1a7u s THR 4 CO 0.07 0.28 0.20 1.33 -0.69 0.00 0.00 174.62 175.80 1a7u n VAL 5 N 3.26 0.00 -2.08 3.82 0.24 -0.02 -4.97 118.33 118.58 1a7u n VAL 5 Ca 0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1a7u n VAL 5 Cb 0.50 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 1a7u n VAL 5 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a7u n GLY 6 N 0.62 -1.58 3.15 7.63 0.00 -1.20 -4.97 105.19 108.84 1a7u n GLY 6 Ca 0.00 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 1a7u n GLY 6 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a7u s GLN 7 N -1.38 1.30 -0.22 1.61 2.00 -1.26 -0.35 119.66 121.36 1a7u s GLN 7 Ca 0.00 -0.60 -0.01 0.00 -2.00 0.00 0.00 55.36 52.75 1a7u s GLN 7 Cb 0.00 -1.27 0.06 0.00 0.80 0.00 0.00 33.01 32.60 1a7u s GLN 7 CO 0.00 0.35 -0.02 -2.00 -0.50 0.00 0.00 175.29 173.11 1a7u s GLU 8 N -0.44 1.27 5.74 1.67 2.12 0.93 -4.88 118.70 125.11 1a7u s GLU 8 Ca 0.06 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1a7u s GLU 8 Cb -0.06 -2.40 0.00 0.00 0.26 0.00 0.00 34.13 31.92 1a7u s GLU 8 CO -0.00 -0.61 0.00 0.09 -0.54 0.00 0.00 175.26 174.20 1a7u n ASN 9 N 4.81 0.00 -0.18 -1.70 3.02 -1.26 -0.86 115.26 119.09 1a7u n ASN 9 Ca -0.11 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.53 1a7u n ASN 9 Cb 0.45 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 40.10 1a7u n ASN 9 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1a7u n SER 10 N 4.07 0.55 -4.46 6.41 3.41 -1.26 -4.91 113.62 117.43 1a7u n SER 10 Ca 0.00 -1.53 -0.27 0.00 -0.26 0.00 0.00 58.87 56.81 1a7u n SER 10 Cb 0.00 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 63.80 1a7u n SER 10 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1a7u s THR 11 N -1.93 2.52 0.50 6.66 -4.23 -0.04 -5.13 115.64 113.98 1a7u s THR 11 Ca 0.28 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.75 1a7u s THR 11 Cb 0.14 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1a7u s THR 11 CO 0.22 -0.14 0.80 -0.94 -0.54 0.00 0.00 174.62 174.03 1a7u s SER 12 N -2.77 6.21 -0.35 3.99 1.04 -1.26 -0.05 113.70 120.51 1a7u s SER 12 Ca 0.22 0.93 -0.10 0.00 0.48 0.00 0.00 55.95 57.49 1a7u s SER 12 Cb -0.08 -2.21 0.02 0.00 0.10 0.00 0.00 66.02 63.85 1a7u s SER 12 CO 0.11 -0.63 0.17 -0.63 0.98 0.00 0.00 173.24 173.24 1a7u s ILE 13 N -2.78 4.37 -0.06 -1.02 1.01 0.52 -4.73 121.20 118.52 1a7u s ILE 13 Ca 0.48 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 60.33 1a7u s ILE 13 Cb -0.10 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 1a7u s ILE 13 CO 0.45 -0.16 -0.15 -1.81 0.00 0.00 0.00 174.94 173.27 1a7u s ASP 14 N 1.53 3.94 -0.13 3.58 1.01 -1.26 -0.84 116.67 124.49 1a7u s ASP 14 Ca 0.02 -0.23 -0.06 0.00 0.71 0.00 0.00 52.55 52.99 1a7u s ASP 14 Cb -0.19 -0.89 -0.04 0.00 1.01 0.00 0.00 42.92 42.81 1a7u s ASP 14 CO 0.05 0.32 0.07 -0.76 0.21 0.00 0.00 175.17 175.07 1a7u s LEU 15 N -0.60 3.93 0.23 1.23 1.43 0.53 -1.07 118.68 124.36 1a7u s LEU 15 Ca 0.09 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.11 1a7u s LEU 15 Cb -0.11 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 1a7u s LEU 15 CO 0.01 0.31 1.09 -0.47 0.23 0.00 0.00 176.35 177.51 1a7u s TYR 16 N -0.43 3.62 0.14 0.29 5.04 -1.26 -1.06 117.35 123.69 1a7u s TYR 16 Ca 0.10 1.67 -0.09 0.00 -2.44 0.00 0.00 57.07 56.31 1a7u s TYR 16 Cb -0.12 -3.26 -0.01 0.00 0.35 0.00 0.00 41.96 38.93 1a7u s TYR 16 CO 0.02 -0.50 0.24 1.52 -1.34 0.00 0.00 175.55 175.50 1a7u s TYR 17 N -0.72 0.34 0.10 4.97 1.13 -0.36 -0.74 117.35 122.06 1a7u s TYR 17 Ca 0.46 -0.72 0.04 0.00 -1.41 0.00 0.00 57.07 55.45 1a7u s TYR 17 Cb -0.30 -0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.45 1a7u s TYR 17 CO 0.37 -0.65 -0.12 -1.21 -2.51 0.00 0.00 175.55 171.43 1a7u s GLU 18 N -3.94 0.89 -0.23 -3.49 2.02 -0.49 -3.48 118.70 109.98 1a7u s GLU 18 Ca 0.13 -1.14 -0.03 0.00 0.02 0.00 0.00 54.97 53.95 1a7u s GLU 18 Cb 0.04 -0.67 0.11 0.00 0.10 0.00 0.00 34.13 33.71 1a7u s GLU 18 CO -0.04 0.12 0.28 0.34 0.02 0.00 0.00 175.26 175.99 1a7u s ASP 19 N -2.33 1.11 0.10 -0.19 2.15 -1.26 -2.00 116.67 114.24 1a7u s ASP 19 Ca 0.05 -0.20 0.07 0.00 0.43 0.00 0.00 52.55 52.90 1a7u s ASP 19 Cb -0.05 0.62 -0.03 0.00 -0.30 0.00 0.00 42.92 43.16 1a7u s ASP 19 CO 0.01 -0.33 -0.17 -1.00 -0.17 0.00 0.00 175.17 173.51 1a7u s HIS 20 N 2.40 1.56 0.00 -5.34 3.76 -0.60 -4.98 115.29 112.09 1a7u s HIS 20 Ca 0.09 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 1a7u s HIS 20 Cb -0.15 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.69 1a7u s HIS 20 CO -0.17 0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.29 1a7u n GLY 21 N 0.97 -1.90 3.40 -2.22 0.00 -1.26 -0.18 105.19 103.99 1a7u n GLY 21 Ca -0.19 -1.58 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 1a7u n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a7u s ALA 22 N -1.28 -1.35 0.00 4.61 0.00 -1.20 -4.76 121.76 117.78 1a7u s ALA 22 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1a7u s ALA 22 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1a7u s ALA 22 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1a7u n GLY 23 N 0.78 0.54 3.74 0.00 0.00 -1.26 -3.41 105.19 105.58 1a7u n GLY 23 Ca -0.19 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.14 1a7u n GLY 23 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a7u s GLN 24 N -0.03 4.11 0.08 1.61 0.74 -1.26 -4.14 119.66 120.76 1a7u s GLN 24 Ca 0.00 2.60 -0.30 0.00 0.05 0.00 0.00 55.36 57.71 1a7u s GLN 24 Cb 0.00 -3.03 -0.05 0.00 1.10 0.00 0.00 33.01 31.03 1a7u s GLN 24 CO 0.00 -0.67 0.96 -1.25 -0.55 0.00 0.00 175.29 173.78 1a7u s PRO 25 N -0.15 4.66 -0.15 1.67 0.04 -1.26 -1.47 135.00 138.33 1a7u s PRO 25 Ca 0.66 1.43 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1a7u s PRO 25 Cb -0.49 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 30.67 1a7u s PRO 25 CO 0.45 0.14 -0.16 0.08 0.04 0.00 0.00 177.00 177.55 1a7u s VAL 26 N 0.27 1.70 -0.25 -0.36 1.01 0.43 -0.81 120.40 122.39 1a7u s VAL 26 Ca 0.48 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1a7u s VAL 26 Cb -0.23 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1a7u s VAL 26 CO 0.29 0.48 0.07 -0.69 0.00 0.00 0.00 175.10 175.25 1a7u s VAL 27 N 1.30 4.25 -0.21 2.92 1.01 0.24 -0.69 120.40 129.22 1a7u s VAL 27 Ca 0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 1a7u s VAL 27 Cb -0.13 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1a7u s VAL 27 CO -0.09 0.33 0.06 -0.76 0.00 0.00 0.00 175.10 174.65 1a7u s LEU 28 N 1.60 3.63 -0.26 3.92 1.43 -0.59 -0.45 118.68 127.95 1a7u s LEU 28 Ca 0.06 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1a7u s LEU 28 Cb -0.15 -1.94 0.05 0.00 0.03 0.00 0.00 46.19 44.18 1a7u s LEU 28 CO 0.03 0.09 -0.08 -0.63 0.23 0.00 0.00 176.35 175.99 1a7u s ILE 29 N 0.90 2.49 0.99 -0.59 1.01 -0.04 -3.98 121.20 121.99 1a7u s ILE 29 Ca 0.03 -1.43 -0.15 0.00 0.00 0.00 0.00 60.65 59.11 1a7u s ILE 29 Cb -0.14 -2.40 0.19 0.00 0.01 0.00 0.00 42.46 40.12 1a7u s ILE 29 CO 0.03 0.02 1.18 -1.38 0.00 0.00 0.00 174.94 174.79 1a7u s HIS 30 N 1.19 1.78 0.55 3.97 -3.43 -1.26 -1.84 115.29 116.25 1a7u s HIS 30 Ca -0.06 0.62 0.07 0.00 -0.80 0.00 0.00 55.06 54.89 1a7u s HIS 30 Cb -0.19 -3.60 0.05 0.00 -1.43 0.00 0.00 32.58 27.41 1a7u s HIS 30 CO -0.04 -2.80 0.52 0.20 -2.00 0.00 0.00 174.74 170.61 1a7u s GLY 31 N -4.24 2.18 0.33 -1.38 0.00 -1.22 -3.11 107.32 99.88 1a7u s GLY 31 Ca 0.68 -1.52 -0.24 0.00 0.00 0.00 0.00 44.72 43.64 1a7u s GLY 31 CO 0.54 -1.86 0.91 -0.12 0.00 0.00 0.00 173.10 172.56 1a7u s PHE 32 N -2.74 3.61 -0.69 1.90 2.19 -1.26 -1.41 117.98 119.58 1a7u s PHE 32 Ca 0.42 1.68 0.02 0.00 0.33 0.00 0.00 56.93 59.38 1a7u s PHE 32 Cb -0.03 -2.86 0.37 0.00 -1.31 0.00 0.00 43.02 39.19 1a7u s PHE 32 CO 0.26 0.17 1.54 -0.35 1.83 0.00 0.00 175.22 178.68 1a7u n PRO 33 N 0.36 3.40 0.00 10.12 -0.04 -1.26 -5.00 135.00 142.58 1a7u n PRO 33 Ca 0.02 -4.18 0.00 0.00 -0.04 0.00 0.00 63.50 59.30 1a7u n PRO 33 Cb 0.51 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1a7u n PRO 33 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1a7u n LEU 34 N -0.42 0.00 0.00 1.53 4.77 -0.50 -3.70 117.00 118.68 1a7u n LEU 34 Ca 0.45 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.37 1a7u n LEU 34 Cb 0.41 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1a7u n LEU 34 CO 0.43 0.00 0.15 -1.54 -1.33 0.00 0.00 177.39 175.09 1a7u n SER 35 N 0.00 -0.84 0.28 -1.43 3.41 -1.26 -3.93 113.62 109.85 1a7u n SER 35 Ca 0.00 -1.88 0.14 0.00 -0.26 0.00 0.00 58.87 56.87 1a7u n SER 35 Cb 0.00 1.48 0.83 0.00 -0.26 0.00 0.00 64.21 66.27 1a7u n SER 35 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1a7u h GLY 36 N 0.97 0.00 2.00 5.00 0.00 -1.95 -1.93 103.07 107.16 1a7u h GLY 36 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1a7u h GLY 36 CO 0.19 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.15 1a7u n HIS 37 N -3.76 0.83 0.32 5.60 8.25 -1.26 -2.31 115.22 122.89 1a7u n HIS 37 Ca -0.02 0.33 0.13 0.00 -0.26 0.00 0.00 57.72 57.90 1a7u n HIS 37 Cb 0.15 -1.04 0.59 0.00 1.12 0.00 0.00 29.99 30.81 1a7u n HIS 37 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1a7u h SER 38 N 0.00 0.00 -0.28 0.41 4.64 -1.76 -2.19 113.55 114.38 1a7u h SER 38 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a7u h SER 38 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1a7u h SER 38 CO 0.00 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.75 1a7u n TRP 39 N -2.42 0.54 -0.33 4.77 7.02 -0.98 -4.59 117.44 121.45 1a7u n TRP 39 Ca 0.01 -0.23 0.14 0.00 -1.02 0.00 0.00 57.50 56.39 1a7u n TRP 39 Cb 0.19 -0.09 0.35 0.00 -2.42 0.00 0.00 31.31 29.34 1a7u n TRP 39 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1a7u h GLU 40 N 1.69 0.70 0.00 -0.99 4.11 -1.62 0.28 114.58 118.75 1a7u h GLU 40 Ca 0.00 -0.04 -0.11 0.00 0.07 0.00 0.00 59.36 59.27 1a7u h GLU 40 Cb 0.62 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1a7u h GLU 40 CO 0.06 0.46 -0.54 0.00 0.07 0.00 0.00 179.01 179.06 1a7u h ARG 41 N 0.72 0.00 0.04 1.06 3.08 -1.88 -2.00 114.38 115.41 1a7u h ARG 41 Ca 0.54 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.33 1a7u h ARG 41 Cb 0.90 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.97 1a7u h ARG 41 CO -0.31 0.54 -1.02 1.96 -1.07 0.00 0.00 179.97 180.07 1a7u h GLN 42 N 0.00 0.62 -0.49 0.04 7.50 -1.22 -3.10 115.11 118.46 1a7u h GLN 42 Ca -0.01 -0.72 0.04 0.00 0.50 0.00 0.00 58.65 58.47 1a7u h GLN 42 Cb 1.00 0.22 -0.04 0.00 0.05 0.00 0.00 27.48 28.71 1a7u h GLN 42 CO 0.07 1.31 0.24 0.77 -1.50 0.00 0.00 178.83 179.72 1a7u h SER 43 N 0.24 0.34 -0.91 1.46 0.02 -0.52 -0.34 113.55 113.84 1a7u h SER 43 Ca -0.14 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1a7u h SER 43 Cb 1.70 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 64.16 1a7u h SER 43 CO 0.20 0.24 0.58 0.00 -1.14 0.00 0.00 176.83 176.70 1a7u h ALA 44 N 1.27 1.15 -0.26 3.77 0.00 -1.45 -0.92 119.26 122.83 1a7u h ALA 44 Ca 0.22 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1a7u h ALA 44 Cb 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1a7u h ALA 44 CO -0.16 0.58 -0.45 0.00 0.00 0.00 0.00 179.25 179.22 1a7u h ALA 45 N 1.32 0.72 -0.26 0.00 0.00 -1.32 -1.72 119.26 117.99 1a7u h ALA 45 Ca 0.33 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1a7u h ALA 45 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1a7u h ALA 45 CO -0.07 0.67 -0.45 -0.07 0.00 0.00 0.00 179.25 179.33 1a7u h LEU 46 N 0.53 0.70 -0.46 0.00 3.38 -0.89 -1.07 115.31 117.52 1a7u h LEU 46 Ca 0.03 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 1a7u h LEU 46 Cb 0.99 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1a7u h LEU 46 CO 0.09 1.05 -0.11 -0.07 0.09 0.00 0.00 178.44 179.49 1a7u h LEU 47 N 0.53 0.89 -1.52 1.67 3.38 -1.11 -1.54 115.31 117.60 1a7u h LEU 47 Ca 0.03 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1a7u h LEU 47 Cb 0.98 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1a7u h LEU 47 CO 0.09 1.04 -0.24 0.44 0.09 0.00 0.00 178.44 179.86 1a7u h ASP 48 N 0.72 0.00 0.40 -0.43 3.32 -1.07 -2.15 116.42 117.21 1a7u h ASP 48 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1a7u h ASP 48 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1a7u h ASP 48 CO 0.05 0.24 -0.05 0.00 -1.72 0.00 0.00 179.24 177.75 1a7u n ALA 49 N -2.49 2.64 -1.21 3.45 0.00 -0.43 -4.95 120.51 117.53 1a7u n ALA 49 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1a7u n ALA 49 Cb 0.30 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1a7u n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a7u n GLY 50 N 1.25 1.02 3.63 0.00 0.00 -0.81 -5.06 105.19 105.22 1a7u n GLY 50 Ca 0.15 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1a7u n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a7u s TYR 51 N -2.41 2.60 -0.22 1.61 2.02 -0.63 -4.41 117.35 115.91 1a7u s TYR 51 Ca 0.00 -0.34 -0.13 0.00 -0.37 0.00 0.00 57.07 56.23 1a7u s TYR 51 Cb 0.00 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 1a7u s TYR 51 CO 0.00 0.54 0.29 0.50 -1.57 0.00 0.00 175.55 175.31 1a7u s ARG 52 N -3.69 4.13 -0.17 -0.62 3.52 -0.54 -3.23 118.95 118.34 1a7u s ARG 52 Ca 0.33 -0.01 -0.02 0.00 -0.13 0.00 0.00 55.73 55.90 1a7u s ARG 52 Cb -0.03 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 1a7u s ARG 52 CO 0.19 0.02 -0.07 0.08 -0.81 0.00 0.00 175.30 174.71 1a7u s VAL 53 N 1.16 3.40 -0.14 7.11 1.01 0.74 -0.43 120.40 133.27 1a7u s VAL 53 Ca 0.14 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1a7u s VAL 53 Cb -0.14 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1a7u s VAL 53 CO 0.06 0.48 -0.16 -0.63 0.00 0.00 0.00 175.10 174.85 1a7u s ILE 54 N 0.75 2.68 0.14 2.22 1.09 0.13 -1.55 121.20 126.66 1a7u s ILE 54 Ca -0.03 -0.78 0.09 0.00 -1.10 0.00 0.00 60.65 58.83 1a7u s ILE 54 Cb -0.15 -2.11 -0.04 0.00 -1.06 0.00 0.00 42.46 39.10 1a7u s ILE 54 CO 0.02 0.53 -0.21 0.42 -0.10 0.00 0.00 174.94 175.59 1a7u s THR 55 N 0.56 1.91 0.08 2.92 -4.23 -0.85 -1.54 115.64 114.49 1a7u s THR 55 Ca -0.10 -1.78 -0.09 0.00 -1.18 0.00 0.00 61.69 58.53 1a7u s THR 55 Cb -0.16 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1a7u s THR 55 CO 0.04 -0.15 0.20 -0.72 -0.54 0.00 0.00 174.62 173.45 1a7u s TYR 56 N -1.56 0.11 -0.18 3.99 1.13 -1.26 -1.39 117.35 118.20 1a7u s TYR 56 Ca 0.13 -0.48 -0.14 0.00 -1.41 0.00 0.00 57.07 55.18 1a7u s TYR 56 Cb -0.08 -0.04 -0.05 0.00 -1.10 0.00 0.00 41.96 40.70 1a7u s TYR 56 CO 0.06 -0.52 0.29 -0.51 -2.51 0.00 0.00 175.55 172.36 1a7u s ASP 57 N -2.65 6.39 0.65 -0.18 1.01 0.09 -3.94 116.67 118.03 1a7u s ASP 57 Ca 0.02 0.46 -0.18 0.00 0.71 0.00 0.00 52.55 53.56 1a7u s ASP 57 Cb 0.03 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.78 1a7u s ASP 57 CO -0.09 0.07 1.27 -0.60 0.21 0.00 0.00 175.17 176.03 1a7u s ARG 58 N 0.66 2.56 0.27 8.23 3.52 -1.26 -4.34 118.95 128.59 1a7u s ARG 58 Ca 0.16 1.98 -0.29 0.00 -0.13 0.00 0.00 55.73 57.45 1a7u s ARG 58 Cb -0.13 -1.86 -0.14 0.00 -1.56 0.00 0.00 34.95 31.26 1a7u s ARG 58 CO 0.04 -1.57 1.15 2.89 -0.81 0.00 0.00 175.30 177.01 1a7u n ARG 59 N -1.96 1.56 -0.50 5.12 1.85 -1.26 -1.17 116.66 120.30 1a7u n ARG 59 Ca 0.15 0.55 0.00 0.00 -1.00 0.00 0.00 57.85 57.55 1a7u n ARG 59 Cb 0.49 -2.03 0.00 0.00 -1.05 0.00 0.00 32.46 29.87 1a7u n ARG 59 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a7u n GLY 60 N 1.46 1.29 3.31 2.89 0.00 -0.26 -5.00 105.19 108.88 1a7u n GLY 60 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1a7u n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a7u s PHE 61 N -3.23 1.71 0.00 1.61 0.08 -0.31 -0.67 117.98 117.16 1a7u s PHE 61 Ca 0.00 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1a7u s PHE 61 Cb 0.00 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 1a7u s PHE 61 CO 0.00 0.28 0.00 0.41 -0.10 0.00 0.00 175.22 175.81 1a7u n GLY 62 N 0.36 3.49 1.16 4.36 0.00 -1.25 -1.89 105.19 111.42 1a7u n GLY 62 Ca -0.14 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.84 1a7u n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a7u n GLN 63 N 14.00 2.46 -1.84 1.61 6.02 -1.26 -4.59 117.38 133.78 1a7u n GLN 63 Ca 0.00 -2.27 -0.30 0.00 -0.01 0.00 0.00 57.00 54.42 1a7u n GLN 63 Cb 0.00 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 29.82 1a7u n GLN 63 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1a7u s SER 64 N -1.02 5.26 0.94 1.08 0.01 -0.79 -4.47 113.70 114.70 1a7u s SER 64 Ca 0.42 1.13 -0.10 0.00 1.31 0.00 0.00 55.95 58.71 1a7u s SER 64 Cb 0.22 -1.90 0.16 0.00 0.21 0.00 0.00 66.02 64.71 1a7u s SER 64 CO 0.29 -1.46 1.14 -0.44 0.41 0.00 0.00 173.24 173.18 1a7u s SER 65 N -4.32 2.75 -0.63 2.44 0.01 -0.23 -4.59 113.70 109.12 1a7u s SER 65 Ca 0.59 2.13 0.06 0.00 1.31 0.00 0.00 55.95 60.04 1a7u s SER 65 Cb -0.11 -2.55 0.25 0.00 0.21 0.00 0.00 66.02 63.81 1a7u s SER 65 CO 0.52 -3.20 0.73 0.00 0.41 0.00 0.00 173.24 171.69 1a7u n GLN 66 N -4.30 2.43 -1.13 12.44 6.02 -1.26 -1.10 117.38 130.48 1a7u n GLN 66 Ca 0.11 -4.61 -0.29 0.00 -0.01 0.00 0.00 57.00 52.20 1a7u n GLN 66 Cb 0.52 -2.22 0.18 0.00 1.02 0.00 0.00 30.24 29.74 1a7u n GLN 66 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1a7u s PRO 67 N -2.38 0.36 -0.24 -1.09 0.04 -1.26 -4.95 135.00 125.48 1a7u s PRO 67 Ca 0.39 0.55 0.12 0.00 0.04 0.00 0.00 61.00 62.10 1a7u s PRO 67 Cb 0.14 -1.73 0.49 0.00 0.04 0.00 0.00 34.50 33.44 1a7u s PRO 67 CO -0.02 -2.79 1.41 0.25 0.04 0.00 0.00 177.00 175.89 1a7u n THR 68 N -4.22 2.41 -4.00 1.26 -2.24 -1.26 -4.60 114.28 101.63 1a7u n THR 68 Ca 0.05 -2.55 -0.09 0.00 -2.27 0.00 0.00 64.05 59.19 1a7u n THR 68 Cb 0.57 -0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.40 1a7u n THR 68 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a7u s THR 69 N -3.12 0.14 0.00 4.28 -4.23 -1.26 -4.95 115.64 106.49 1a7u s THR 69 Ca 0.42 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1a7u s THR 69 Cb 0.38 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.60 1a7u s THR 69 CO 0.01 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1a7u n GLY 70 N 1.17 0.77 3.43 3.99 0.00 -1.26 -5.00 105.19 108.29 1a7u n GLY 70 Ca -0.21 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 1a7u n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a7u s TYR 71 N -2.00 3.65 0.04 1.61 2.02 -1.26 -4.50 117.35 116.91 1a7u s TYR 71 Ca 0.00 -2.19 -0.27 0.00 -0.37 0.00 0.00 57.07 54.24 1a7u s TYR 71 Cb 0.00 -4.18 0.07 0.00 -0.40 0.00 0.00 41.96 37.45 1a7u s TYR 71 CO 0.00 -1.29 0.67 0.16 -1.57 0.00 0.00 175.55 173.52 1a7u s ASP 72 N 2.54 -0.59 0.51 2.29 -4.77 -1.26 -4.81 116.67 110.57 1a7u s ASP 72 Ca 0.38 0.35 0.31 0.00 -3.30 0.00 0.00 52.55 50.29 1a7u s ASP 72 Cb -0.05 0.55 1.15 0.00 -1.09 0.00 0.00 42.92 43.48 1a7u s ASP 72 CO -0.03 -0.76 1.90 1.88 0.70 0.00 0.00 175.17 178.86 1a7u h TYR 73 N 2.49 0.00 -0.33 2.11 0.05 -1.92 -1.14 116.97 118.23 1a7u h TYR 73 Ca -0.29 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.33 1a7u h TYR 73 Cb 1.22 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.95 1a7u h TYR 73 CO 0.30 0.00 -0.42 -0.44 -1.05 0.00 0.00 178.16 176.56 1a7u h ASP 74 N 0.00 0.89 -0.38 3.88 3.32 -1.97 0.20 116.42 122.36 1a7u h ASP 74 Ca 0.00 -0.42 -0.15 0.00 0.02 0.00 0.00 57.03 56.49 1a7u h ASP 74 Cb 0.60 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1a7u h ASP 74 CO 0.00 1.19 -0.33 0.74 -1.72 0.00 0.00 179.24 179.11 1a7u h THR 75 N 0.67 1.28 -0.81 0.35 2.02 -1.69 -1.67 112.91 113.05 1a7u h THR 75 Ca 0.05 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1a7u h THR 75 Cb 0.99 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.74 1a7u h THR 75 CO 0.09 0.50 0.48 -0.26 0.37 0.00 0.00 175.52 176.71 1a7u h PHE 76 N 0.71 1.08 -0.02 3.16 0.04 -1.14 0.14 116.94 120.91 1a7u h PHE 76 Ca 0.07 -0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.69 1a7u h PHE 76 Cb 0.92 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 1a7u h PHE 76 CO 0.06 0.72 -0.65 0.00 -0.60 0.00 0.00 178.31 177.84 1a7u h ALA 77 N 1.41 0.88 -0.44 2.45 0.00 -0.87 -2.16 119.26 120.53 1a7u h ALA 77 Ca 0.29 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1a7u h ALA 77 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1a7u h ALA 77 CO -0.05 0.80 -0.19 0.00 0.00 0.00 0.00 179.25 179.81 1a7u h ALA 78 N 1.29 0.84 -0.32 0.00 0.00 -0.45 0.11 119.26 120.73 1a7u h ALA 78 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1a7u h ALA 78 Cb 1.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1a7u h ALA 78 CO 0.09 0.64 0.20 -0.44 0.00 0.00 0.00 179.25 179.75 1a7u h ASP 79 N 0.76 0.38 -0.48 0.00 3.32 -0.57 -1.32 116.42 118.50 1a7u h ASP 79 Ca 0.11 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1a7u h ASP 79 Cb 0.72 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1a7u h ASP 79 CO 0.06 0.30 0.31 0.25 -1.72 0.00 0.00 179.24 178.43 1a7u h LEU 80 N 0.42 0.55 -1.08 1.55 5.85 -1.16 -1.58 115.31 119.87 1a7u h LEU 80 Ca 0.12 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.90 1a7u h LEU 80 Cb -0.02 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.80 1a7u h LEU 80 CO -0.02 0.41 0.62 -1.13 -0.34 0.00 0.00 178.44 177.98 1a7u h ASN 81 N 0.64 0.93 -0.62 1.25 -1.24 -0.48 -0.63 115.58 115.43 1a7u h ASN 81 Ca 0.17 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.13 1a7u h ASN 81 Cb -0.06 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 1a7u h ASN 81 CO -0.04 0.55 0.09 0.74 -1.29 0.00 0.00 177.43 177.49 1a7u h THR 82 N 1.03 1.26 -0.41 -3.57 2.02 -0.43 -0.30 112.91 112.51 1a7u h THR 82 Ca 0.44 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1a7u h THR 82 Cb 0.33 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1a7u h THR 82 CO -0.20 0.38 0.22 0.58 0.37 0.00 0.00 175.52 176.87 1a7u h VAL 83 N 0.98 1.16 -0.52 3.16 2.07 -0.36 0.69 116.25 123.44 1a7u h VAL 83 Ca 0.19 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 1a7u h VAL 83 Cb 0.43 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1a7u h VAL 83 CO 0.01 0.17 -0.10 -0.07 0.02 0.00 0.00 177.57 177.61 1a7u h LEU 84 N 0.53 0.98 -0.42 2.57 3.38 -0.70 -2.13 115.31 119.52 1a7u h LEU 84 Ca 0.14 -0.35 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 1a7u h LEU 84 Cb 0.08 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1a7u h LEU 84 CO -0.02 1.10 -0.59 -0.33 0.09 0.00 0.00 178.44 178.69 1a7u h GLU 85 N 0.84 0.65 -0.50 1.13 5.08 -0.98 -0.83 114.58 119.98 1a7u h GLU 85 Ca 0.13 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1a7u h GLU 85 Cb 0.66 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1a7u h GLU 85 CO 0.05 1.05 0.22 1.15 -1.00 0.00 0.00 179.01 180.47 1a7u h THR 86 N 0.49 1.20 -0.00 1.13 2.02 -0.74 -2.59 112.91 114.42 1a7u h THR 86 Ca 0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1a7u h THR 86 Cb 1.16 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1a7u h THR 86 CO 0.12 0.23 -0.23 0.18 0.37 0.00 0.00 175.52 176.19 1a7u n LEU 87 N -4.58 0.29 -3.55 2.58 4.77 -0.81 -4.95 117.00 110.75 1a7u n LEU 87 Ca 0.02 0.21 -0.20 0.00 -0.03 0.00 0.00 56.01 56.01 1a7u n LEU 87 Cb 0.14 -0.34 0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1a7u n LEU 87 CO 0.38 0.07 0.08 -0.67 -1.33 0.00 0.00 177.39 175.91 1a7u n ASP 88 N -1.41 -2.50 -4.75 -1.43 2.03 -0.40 -4.93 116.55 103.16 1a7u n ASP 88 Ca 0.07 -0.67 -0.41 0.00 0.52 0.00 0.00 54.79 54.31 1a7u n ASP 88 Cb 0.33 -4.76 -0.04 0.00 -0.72 0.00 0.00 41.12 35.92 1a7u n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1a7u s LEU 89 N -6.62 4.53 0.06 -2.67 1.43 -0.70 -5.03 118.68 109.68 1a7u s LEU 89 Ca 0.11 2.18 0.04 0.00 -1.03 0.00 0.00 54.13 55.43 1a7u s LEU 89 Cb -0.05 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1a7u s LEU 89 CO 0.76 -0.17 -0.13 -1.10 0.23 0.00 0.00 176.35 175.94 1a7u s GLN 90 N -0.93 0.76 -1.50 1.70 -0.21 -1.26 -4.79 119.66 113.44 1a7u s GLN 90 Ca 0.47 -0.88 -0.13 0.00 0.02 0.00 0.00 55.36 54.84 1a7u s GLN 90 Cb -0.31 -0.72 0.07 0.00 1.00 0.00 0.00 33.01 33.05 1a7u s GLN 90 CO 0.38 0.16 1.01 -3.47 -2.12 0.00 0.00 175.29 171.25 1a7u n ASP 91 N 1.41 -5.17 -4.88 5.90 2.03 -0.86 -4.67 116.55 110.31 1a7u n ASP 91 Ca -0.21 -0.72 -0.30 0.00 0.52 0.00 0.00 54.79 54.08 1a7u n ASP 91 Cb 0.54 -4.11 -0.04 0.00 -0.72 0.00 0.00 41.12 36.79 1a7u n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a7u s ALA 92 N -3.29 3.51 -0.17 -1.67 0.00 -0.14 -4.39 121.76 115.60 1a7u s ALA 92 Ca 0.65 -0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.20 1a7u s ALA 92 Cb -0.32 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1a7u s ALA 92 CO 0.80 0.24 0.02 0.08 0.00 0.00 0.00 175.76 176.90 1a7u s VAL 93 N -2.10 4.44 -0.23 0.00 1.01 0.01 0.45 120.40 123.98 1a7u s VAL 93 Ca 0.48 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1a7u s VAL 93 Cb -0.11 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1a7u s VAL 93 CO 0.27 0.48 0.13 -0.76 0.00 0.00 0.00 175.10 175.22 1a7u s LEU 94 N 0.34 3.95 -0.18 3.92 1.43 -0.91 -0.59 118.68 126.64 1a7u s LEU 94 Ca 0.00 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1a7u s LEU 94 Cb -0.13 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1a7u s LEU 94 CO 0.01 0.06 -0.20 -0.69 0.23 0.00 0.00 176.35 175.77 1a7u s VAL 95 N 1.06 2.09 0.11 -1.59 1.01 0.40 -0.56 120.40 122.93 1a7u s VAL 95 Ca 0.06 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1a7u s VAL 95 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1a7u s VAL 95 CO 0.04 0.54 -0.11 -0.83 0.00 0.00 0.00 175.10 174.74 1a7u s GLY 96 N 1.25 1.78 -0.09 4.51 0.00 -0.02 -0.86 107.32 113.90 1a7u s GLY 96 Ca 0.04 -1.28 0.03 0.00 0.00 0.00 0.00 44.72 43.52 1a7u s GLY 96 CO -0.12 -1.26 -0.19 -0.12 0.00 0.00 0.00 173.10 171.41 1a7u s PHE 97 N -1.25 2.10 0.00 1.90 5.36 -0.77 -0.86 117.98 124.46 1a7u s PHE 97 Ca 0.21 -0.85 0.00 0.00 -0.96 0.00 0.00 56.93 55.33 1a7u s PHE 97 Cb -0.11 -1.45 0.00 0.00 -0.34 0.00 0.00 43.02 41.12 1a7u s PHE 97 CO 0.14 -0.38 0.00 0.45 -1.46 0.00 0.00 175.22 173.97 1a7u n SER 98 N 3.70 0.00 -0.32 6.13 2.88 -0.29 -0.90 113.62 124.82 1a7u n SER 98 Ca -0.21 0.00 0.25 0.00 -1.33 0.00 0.00 58.87 57.59 1a7u n SER 98 Cb 0.52 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.54 1a7u n SER 98 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1a7u h MET 99 N 0.00 0.31 -0.18 -1.46 2.86 -1.84 0.32 114.93 114.93 1a7u h MET 99 Ca 0.00 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1a7u h MET 99 Cb 0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1a7u h MET 99 CO 0.00 0.20 0.16 0.78 1.06 0.00 0.00 176.91 179.11 1a7u h GLY 100 N 0.32 0.00 2.00 8.32 0.00 -0.96 0.03 103.07 112.78 1a7u h GLY 100 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1a7u h GLY 100 CO -0.26 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.37 1a7u h THR 101 N 0.00 0.00 -0.10 4.70 1.35 -1.05 -2.66 112.91 115.14 1a7u h THR 101 Ca 0.09 -0.29 -0.13 0.00 -0.55 0.00 0.00 66.41 65.52 1a7u h THR 101 Cb 0.40 1.28 0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1a7u h THR 101 CO -0.00 0.00 -0.45 1.23 -0.25 0.00 0.00 175.52 176.05 1a7u h GLY 102 N 1.20 0.54 0.82 5.82 0.00 -1.12 -2.95 103.07 107.38 1a7u h GLY 102 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 47.33 46.63 1a7u h GLY 102 CO 0.00 0.66 0.48 0.83 0.00 0.00 0.00 176.54 178.51 1a7u h GLU 103 N 0.07 0.89 -0.45 4.80 3.07 -1.56 -1.34 114.58 120.06 1a7u h GLU 103 Ca -0.03 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1a7u h GLU 103 Cb 1.09 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.78 1a7u h GLU 103 CO 0.09 0.59 0.23 0.28 -1.40 0.00 0.00 179.01 178.80 1a7u h VAL 104 N 0.92 1.17 -0.27 3.13 2.07 -1.47 0.04 116.25 121.84 1a7u h VAL 104 Ca 0.32 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1a7u h VAL 104 Cb 0.06 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1a7u h VAL 104 CO -0.13 0.19 -0.14 0.00 0.02 0.00 0.00 177.57 177.51 1a7u h ALA 105 N 1.07 0.38 -0.38 1.67 0.00 -1.40 -1.95 119.26 118.64 1a7u h ALA 105 Ca 0.16 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1a7u h ALA 105 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a7u h ALA 105 CO -0.02 0.26 -0.33 -0.09 0.00 0.00 0.00 179.25 179.07 1a7u h ARG 106 N 0.30 0.90 0.03 0.00 9.65 -1.18 -1.10 114.38 122.98 1a7u h ARG 106 Ca 0.06 -0.46 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 1a7u h ARG 106 Cb 0.66 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.25 1a7u h ARG 106 CO 0.04 1.11 -0.02 -0.92 2.80 0.00 0.00 179.97 182.97 1a7u h TYR 107 N 0.71 -0.06 -0.71 2.20 3.20 -0.95 -1.13 116.97 120.23 1a7u h TYR 107 Ca 0.07 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1a7u h TYR 107 Cb 0.92 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 1a7u h TYR 107 CO 0.06 -0.04 0.44 0.28 -1.64 0.00 0.00 178.16 177.27 1a7u h VAL 108 N -0.06 1.20 0.09 1.81 2.07 -1.25 0.21 116.25 120.32 1a7u h VAL 108 Ca -0.00 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1a7u h VAL 108 Cb 0.05 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1a7u h VAL 108 CO -0.00 0.20 -0.05 -1.28 0.02 0.00 0.00 177.57 176.47 1a7u h SER 109 N 0.97 -0.11 0.06 0.57 0.87 -1.08 -0.85 113.55 113.98 1a7u h SER 109 Ca 0.26 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1a7u h SER 109 Cb -0.05 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1a7u h SER 109 CO -0.05 -0.00 -0.03 0.28 -0.53 0.00 0.00 176.83 176.50 1a7u h SER 110 N -0.20 -0.06 0.81 6.23 0.02 -1.03 -3.39 113.55 115.92 1a7u h SER 110 Ca -0.01 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1a7u h SER 110 Cb 0.17 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1a7u h SER 110 CO 0.02 0.65 -1.03 -1.22 -1.14 0.00 0.00 176.83 174.10 1a7u n TYR 111 N -4.77 0.73 0.00 3.45 4.02 0.71 -5.09 117.16 116.21 1a7u n TYR 111 Ca -0.07 0.21 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1a7u n TYR 111 Cb 0.30 -0.80 0.00 0.00 -0.02 0.00 0.00 39.34 38.82 1a7u n TYR 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a7u n GLY 112 N 1.24 -0.60 1.36 2.72 0.00 -0.32 -4.71 105.19 104.86 1a7u n GLY 112 Ca 0.00 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 1a7u n GLY 112 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a7u n THR 113 N -0.61 2.57 -0.15 2.61 -2.24 -1.26 -4.64 114.28 110.55 1a7u n THR 113 Ca 0.00 -3.23 0.06 0.00 -2.27 0.00 0.00 64.05 58.61 1a7u n THR 113 Cb 0.00 -0.57 0.36 0.00 -2.10 0.00 0.00 70.33 68.03 1a7u n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a7u h ALA 114 N 1.36 1.70 -0.02 6.98 0.00 -1.99 -2.22 119.26 125.07 1a7u h ALA 114 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1a7u h ALA 114 Cb 1.44 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1a7u h ALA 114 CO 0.50 0.21 -0.12 0.54 0.00 0.00 0.00 179.25 180.38 1a7u n ARG 115 N -4.47 1.82 -4.65 0.00 1.74 -1.26 -4.74 116.66 105.10 1a7u n ARG 115 Ca 0.09 -1.39 -0.33 0.00 -0.77 0.00 0.00 57.85 55.45 1a7u n ARG 115 Cb 0.18 -1.47 -0.14 0.00 -1.02 0.00 0.00 32.46 30.01 1a7u n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a7u s ILE 116 N -2.14 3.07 -0.18 0.55 -1.09 -0.84 -0.97 121.20 119.61 1a7u s ILE 116 Ca 0.28 -0.65 -0.13 0.00 -2.23 0.00 0.00 60.65 57.93 1a7u s ILE 116 Cb 0.20 -2.30 -0.22 0.00 -1.58 0.00 0.00 42.46 38.56 1a7u s ILE 116 CO 0.38 0.51 0.21 0.00 -1.23 0.00 0.00 174.94 174.82 1a7u n ALA 117 N 3.71 0.90 -2.78 9.38 0.00 0.17 -4.79 120.51 127.09 1a7u n ALA 117 Ca -0.18 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.55 1a7u n ALA 117 Cb 0.52 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 1a7u n ALA 117 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a7u s LYS 118 N -2.47 1.01 0.06 0.00 1.02 -1.23 -4.28 119.74 113.85 1a7u s LYS 118 Ca -0.27 -0.91 0.04 0.00 0.02 0.00 0.00 55.97 54.85 1a7u s LYS 118 Cb 0.07 0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 37.76 1a7u s LYS 118 CO 0.67 -0.37 -0.11 0.14 -0.92 0.00 0.00 175.35 174.76 1a7u s VAL 119 N -3.86 0.88 -0.02 3.17 -7.23 -0.40 -2.14 120.40 110.79 1a7u s VAL 119 Ca 0.07 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 1a7u s VAL 119 Cb 0.03 -0.94 0.01 0.00 0.56 0.00 0.00 36.38 36.05 1a7u s VAL 119 CO -0.09 -0.33 -0.02 0.00 -0.31 0.00 0.00 175.10 174.35 1a7u s ALA 120 N -1.46 0.34 -0.30 1.32 0.00 0.28 -1.85 121.76 120.08 1a7u s ALA 120 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1a7u s ALA 120 Cb -0.09 -0.21 0.07 0.00 0.00 0.00 0.00 23.12 22.89 1a7u s ALA 120 CO 0.01 0.01 -0.01 -0.06 0.00 0.00 0.00 175.76 175.71 1a7u s PHE 121 N 0.46 3.40 -0.19 0.00 0.08 0.42 -0.84 117.98 121.31 1a7u s PHE 121 Ca -0.05 -2.32 -0.06 0.00 0.12 0.00 0.00 56.93 54.62 1a7u s PHE 121 Cb -0.08 -2.31 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 1a7u s PHE 121 CO -0.01 -0.88 0.03 -0.51 -0.10 0.00 0.00 175.22 173.76 1a7u s LEU 122 N 1.11 3.51 -1.15 -0.37 1.43 -0.04 -1.03 118.68 122.14 1a7u s LEU 122 Ca -0.02 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1a7u s LEU 122 Cb -0.20 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1a7u s LEU 122 CO -0.04 0.11 0.81 0.00 0.23 0.00 0.00 176.35 177.45 1a7u n ALA 123 N 3.97 -2.39 -1.44 4.21 0.00 0.20 -1.13 120.51 123.93 1a7u n ALA 123 Ca -0.17 -0.10 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 1a7u n ALA 123 Cb 0.52 -4.07 0.06 0.00 0.00 0.00 0.00 19.45 15.96 1a7u n ALA 123 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1a7u s SER 124 N -3.68 5.02 0.00 0.00 0.01 -1.26 -1.93 113.70 111.85 1a7u s SER 124 Ca 0.34 1.79 0.07 0.00 1.31 0.00 0.00 55.95 59.47 1a7u s SER 124 Cb -0.09 -2.52 -0.24 0.00 0.21 0.00 0.00 66.02 63.38 1a7u s SER 124 CO 0.81 -1.69 0.84 -0.07 0.41 0.00 0.00 173.24 173.54 1a7u h LEU 125 N -0.62 0.10-10.19 2.44 3.38 -1.91 -3.43 115.31 105.09 1a7u h LEU 125 Ca -0.45 -0.16 -0.54 0.00 0.09 0.00 0.00 57.88 56.82 1a7u h LEU 125 Cb 1.23 -0.03 0.17 0.00 0.09 0.00 0.00 40.66 42.11 1a7u h LEU 125 CO 0.54 1.14 0.38 -1.61 0.09 0.00 0.00 178.44 178.98 1a7u s GLU 126 N -2.63 1.89 0.07 1.13 8.01 -1.26 -3.91 118.70 122.01 1a7u s GLU 126 Ca -0.05 1.80 0.16 0.00 0.01 0.00 0.00 54.97 56.88 1a7u s GLU 126 Cb 0.08 -1.80 -0.13 0.00 -4.31 0.00 0.00 34.13 27.97 1a7u s GLU 126 CO 0.83 -2.03 0.88 -1.35 0.01 0.00 0.00 175.26 173.60 1a7u h PRO 127 N -0.55 0.00 -0.36 0.39 0.11 -1.80 -3.39 132.00 126.40 1a7u h PRO 127 Ca -0.47 0.00 0.22 0.00 0.11 0.00 0.00 66.00 65.85 1a7u h PRO 127 Cb 1.30 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.21 1a7u h PRO 127 CO 0.48 0.37 0.05 0.12 -0.21 0.00 0.00 178.00 178.81 1a7u s PHE 128 N -2.87 -0.61 -0.17 0.65 5.36 -1.25 -0.97 117.98 118.12 1a7u s PHE 128 Ca -0.02 0.53 0.29 0.00 -0.96 0.00 0.00 56.93 56.77 1a7u s PHE 128 Cb 0.08 0.17 0.95 0.00 -0.34 0.00 0.00 43.02 43.89 1a7u s PHE 128 CO 0.81 -0.34 1.82 -0.07 -1.46 0.00 0.00 175.22 175.98 1a7u h LEU 129 N 7.77 0.00 -9.29 6.12 3.38 -1.79 -3.39 115.31 118.10 1a7u h LEU 129 Ca -0.12 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.30 1a7u h LEU 129 Cb 1.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1a7u h LEU 129 CO -0.07 0.00 0.65 -0.22 0.09 0.00 0.00 178.44 178.88 1a7u s LEU 130 N -6.00 4.27 -0.43 1.67 2.96 -1.26 0.35 118.68 120.24 1a7u s LEU 130 Ca 0.04 1.71 -0.29 0.00 -0.22 0.00 0.00 54.13 55.37 1a7u s LEU 130 Cb 0.08 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.23 1a7u s LEU 130 CO 0.58 -0.53 1.10 -0.75 -1.32 0.00 0.00 176.35 175.43 1a7u s LYS 131 N 2.12 3.81 0.19 1.98 2.20 0.17 -4.25 119.74 125.97 1a7u s LYS 131 Ca 0.53 0.68 0.02 0.00 -0.36 0.00 0.00 55.97 56.83 1a7u s LYS 131 Cb -0.22 -3.86 -0.01 0.00 -1.51 0.00 0.00 37.83 32.23 1a7u s LYS 131 CO 0.20 -1.22 0.06 0.25 -0.36 0.00 0.00 175.35 174.29 1a7u n THR 132 N 6.51 0.00 -0.06 3.43 -2.24 -1.07 -4.39 114.28 116.46 1a7u n THR 132 Ca 0.11 -1.12 -0.14 0.00 -2.27 0.00 0.00 64.05 60.63 1a7u n THR 132 Cb 0.48 0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 1a7u n THR 132 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1a7u h ASP 133 N 0.75 0.59 -0.04 3.42 5.19 -2.00 -2.80 116.42 121.52 1a7u h ASP 133 Ca -0.15 -0.53 0.00 0.00 -0.62 0.00 0.00 57.03 55.73 1a7u h ASP 133 Cb 0.57 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1a7u h ASP 133 CO 0.24 1.01 0.00 -0.90 -3.12 0.00 0.00 179.24 176.47 1a7u n ASP 134 N -4.35 0.47 -3.05 6.45 5.75 -1.26 -4.25 116.55 116.32 1a7u n ASP 134 Ca -0.06 -1.48 -0.19 0.00 -0.01 0.00 0.00 54.79 53.05 1a7u n ASP 134 Cb 0.48 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 1a7u n ASP 134 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1a7u n ASN 135 N -0.49 -0.92 0.28 -1.12 5.15 -1.07 -4.97 115.26 112.12 1a7u n ASN 135 Ca 0.15 -2.88 0.19 0.00 -0.60 0.00 0.00 54.58 51.43 1a7u n ASN 135 Cb 0.14 0.21 0.97 0.00 -0.53 0.00 0.00 39.78 40.58 1a7u n ASN 135 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1a7u h PRO 136 N 4.07 0.00 -0.00 1.20 0.13 -1.72 -1.73 132.00 133.96 1a7u h PRO 136 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1a7u h PRO 136 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1a7u h PRO 136 CO 0.41 0.00 -0.04 -0.25 -0.23 0.00 0.00 178.00 177.89 1a7u n ASP 137 N -2.85 0.09 -4.68 1.44 8.00 -1.26 -4.89 116.55 112.39 1a7u n ASP 137 Ca -0.02 -0.01 -0.32 0.00 0.71 0.00 0.00 54.79 55.15 1a7u n ASP 137 Cb 0.10 -0.30 0.15 0.00 -0.02 0.00 0.00 41.12 41.06 1a7u n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a7u n GLY 138 N 1.36 -0.21 0.10 0.44 0.00 -0.67 -4.53 105.19 101.68 1a7u n GLY 138 Ca 0.12 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 1a7u n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a7u h ALA 139 N -1.41 0.59 -2.19 4.61 0.00 -0.36 -3.39 119.26 117.10 1a7u h ALA 139 Ca -0.45 -0.82 0.11 0.00 0.00 0.00 0.00 54.91 53.75 1a7u h ALA 139 Cb 1.28 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.98 1a7u h ALA 139 CO 0.43 1.01 0.51 0.00 0.00 0.00 0.00 179.25 181.20 1a7u s ALA 140 N -2.83 -1.84 0.78 0.00 0.00 -1.16 -4.87 121.76 111.84 1a7u s ALA 140 Ca 0.00 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 1a7u s ALA 140 Cb 0.09 0.30 0.06 0.00 0.00 0.00 0.00 23.12 23.57 1a7u s ALA 140 CO 0.79 -0.65 1.15 -1.25 0.00 0.00 0.00 175.76 175.81 1a7u s PRO 141 N -2.92 2.19 0.32 0.00 0.04 -1.26 0.44 135.00 133.80 1a7u s PRO 141 Ca 0.04 0.18 0.06 0.00 0.04 0.00 0.00 61.00 61.33 1a7u s PRO 141 Cb -0.01 -1.98 0.74 0.00 0.04 0.00 0.00 34.50 33.30 1a7u s PRO 141 CO -0.08 -1.45 1.80 -0.22 0.04 0.00 0.00 177.00 177.10 1a7u h LYS 142 N -0.94 0.75 -0.11 4.56 3.64 -1.98 -2.02 116.57 120.46 1a7u h LYS 142 Ca -0.46 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1a7u h LYS 142 Cb 1.31 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1a7u h LYS 142 CO 0.65 0.50 0.08 1.05 -2.27 0.00 0.00 179.45 179.46 1a7u h GLU 143 N 0.77 0.00 -0.40 1.90 9.09 -1.98 -1.07 114.58 122.89 1a7u h GLU 143 Ca 0.54 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.90 1a7u h GLU 143 Cb 0.83 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.92 1a7u h GLU 143 CO -0.32 0.00 0.03 0.35 0.05 0.00 0.00 179.01 179.12 1a7u h PHE 144 N 0.00 0.73 -0.04 2.06 3.57 -1.73 -2.01 116.94 119.52 1a7u h PHE 144 Ca 0.05 -0.12 -0.17 0.00 3.53 0.00 0.00 57.97 61.26 1a7u h PHE 144 Cb 0.22 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1a7u h PHE 144 CO 0.00 0.74 -0.74 0.74 -2.23 0.00 0.00 178.31 176.82 1a7u h PHE 145 N 0.52 0.36 -0.23 0.41 0.04 -1.37 -2.61 116.94 114.05 1a7u h PHE 145 Ca 0.12 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1a7u h PHE 145 Cb 0.42 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1a7u h PHE 145 CO 0.03 0.90 0.09 -0.44 -0.60 0.00 0.00 178.31 178.29 1a7u h ASP 146 N 0.17 0.28 -0.58 2.17 3.32 -1.20 -1.02 116.42 119.57 1a7u h ASP 146 Ca -0.03 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1a7u h ASP 146 Cb 1.30 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1a7u h ASP 146 CO 0.12 0.27 -0.03 1.23 -1.72 0.00 0.00 179.24 179.10 1a7u h GLY 147 N 0.46 1.13 0.92 2.75 0.00 -0.99 -1.66 103.07 105.67 1a7u h GLY 147 Ca 0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 47.33 46.50 1a7u h GLY 147 CO -0.01 0.79 0.01 -2.22 0.00 0.00 0.00 176.54 175.11 1a7u h ILE 148 N 0.94 1.26 -0.65 2.60 2.04 -0.98 -1.46 117.51 121.26 1a7u h ILE 148 Ca 0.16 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 65.12 1a7u h ILE 148 Cb 0.59 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 1a7u h ILE 148 CO 0.04 0.32 0.34 0.58 0.00 0.00 0.00 178.15 179.43 1a7u h VAL 149 N 0.45 0.93 -0.83 1.67 2.07 -1.15 -0.07 116.25 119.33 1a7u h VAL 149 Ca 0.10 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1a7u h VAL 149 Cb 0.45 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1a7u h VAL 149 CO 0.02 0.11 0.39 0.00 0.02 0.00 0.00 177.57 178.11 1a7u h ALA 150 N 1.36 1.14 -0.49 1.67 0.00 -0.98 -1.33 119.26 120.63 1a7u h ALA 150 Ca 0.30 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1a7u h ALA 150 Cb 0.23 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1a7u h ALA 150 CO -0.20 0.65 -0.15 0.00 0.00 0.00 0.00 179.25 179.55 1a7u h ALA 151 N 1.25 0.80 -0.37 0.00 0.00 -0.67 -0.35 119.26 119.93 1a7u h ALA 151 Ca 0.28 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1a7u h ALA 151 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1a7u h ALA 151 CO -0.04 0.66 -0.23 0.28 0.00 0.00 0.00 179.25 179.93 1a7u h VAL 152 N 0.84 1.28 0.00 0.00 2.07 -0.64 -2.84 116.25 116.96 1a7u h VAL 152 Ca 0.12 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 1a7u h VAL 152 Cb 0.70 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1a7u h VAL 152 CO 0.05 0.45 -0.15 0.11 0.02 0.00 0.00 177.57 178.06 1a7u h LYS 153 N 0.60 0.00 -0.04 1.57 1.57 -1.13 -1.85 116.57 117.29 1a7u h LYS 153 Ca 0.08 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.65 1a7u h LYS 153 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 1a7u h LYS 153 CO 0.06 0.15 -0.84 0.00 -0.57 0.00 0.00 179.45 178.25 1a7u h ALA 154 N 1.85 0.46 -0.10 3.86 0.00 -0.83 -3.44 119.26 121.07 1a7u h ALA 154 Ca -0.00 -0.66 0.17 0.00 0.00 0.00 0.00 54.91 54.42 1a7u h ALA 154 Cb 0.45 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.03 1a7u h ALA 154 CO 0.02 0.79 -0.04 0.34 0.00 0.00 0.00 179.25 180.36 1a7u s ASP 155 N -7.03 -0.16 0.40 0.00 -1.08 -1.11 -5.05 116.67 102.65 1a7u s ASP 155 Ca -0.06 -0.06 0.13 0.00 -0.52 0.00 0.00 52.55 52.03 1a7u s ASP 155 Cb 0.10 0.34 0.82 0.00 -1.46 0.00 0.00 42.92 42.72 1a7u s ASP 155 CO 0.86 -0.02 1.89 0.08 0.52 0.00 0.00 175.17 178.50 1a7u h ARG 156 N 5.50 0.04 -0.24 4.34 0.11 -1.55 -1.75 114.38 120.83 1a7u h ARG 156 Ca -0.06 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 1a7u h ARG 156 Cb 1.23 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 1a7u h ARG 156 CO -0.11 0.31 0.05 1.88 0.10 0.00 0.00 179.97 182.21 1a7u h TYR 157 N 0.03 0.41 -0.16 4.08 0.05 -1.95 -1.62 116.97 117.81 1a7u h TYR 157 Ca 0.00 -0.05 -0.13 0.00 0.05 0.00 0.00 58.73 58.61 1a7u h TYR 157 Cb 0.51 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 1a7u h TYR 157 CO 0.00 0.49 -0.44 0.00 -1.05 0.00 0.00 178.16 177.16 1a7u h ALA 158 N 0.87 0.94 -0.85 3.88 0.00 -1.94 -3.13 119.26 119.03 1a7u h ALA 158 Ca 0.07 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.60 1a7u h ALA 158 Cb 0.29 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1a7u h ALA 158 CO 0.00 0.64 0.52 0.35 0.00 0.00 0.00 179.25 180.76 1a7u h PHE 159 N 0.32 0.97 -0.74 0.00 3.57 -1.08 -2.27 116.94 117.71 1a7u h PHE 159 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1a7u h PHE 159 Cb 0.91 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 1a7u h PHE 159 CO 0.03 0.49 0.43 1.88 -2.23 0.00 0.00 178.31 178.90 1a7u h TYR 160 N 0.95 0.98 0.26 0.41 0.05 -1.24 -0.16 116.97 118.22 1a7u h TYR 160 Ca 0.37 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.15 1a7u h TYR 160 Cb 0.18 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 1a7u h TYR 160 CO -0.03 0.67 -0.33 1.15 -1.05 0.00 0.00 178.16 178.56 1a7u h THR 161 N 1.03 0.31 -0.85 -2.88 2.02 -1.49 0.36 112.91 111.42 1a7u h THR 161 Ca 0.27 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.46 1a7u h THR 161 Cb -0.02 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.66 1a7u h THR 161 CO -0.05 0.00 0.56 1.23 0.37 0.00 0.00 175.52 177.63 1a7u h GLY 162 N -0.64 1.20 0.95 2.16 0.00 -1.45 -2.27 103.07 103.02 1a7u h GLY 162 Ca -0.00 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1a7u h GLY 162 CO -0.11 0.41 0.39 -2.75 0.00 0.00 0.00 176.54 174.48 1a7u h PHE 163 N 1.12 0.74 0.00 5.60 3.57 -0.67 -2.71 116.94 124.59 1a7u h PHE 163 Ca 0.32 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.75 1a7u h PHE 163 Cb -0.09 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 1a7u h PHE 163 CO -0.02 0.45 -0.40 0.74 -2.23 0.00 0.00 178.31 176.85 1a7u h PHE 164 N 0.79 0.00 -0.25 0.41 0.04 -0.71 0.67 116.94 117.88 1a7u h PHE 164 Ca 0.23 0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.05 1a7u h PHE 164 Cb -0.05 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 1a7u h PHE 164 CO -0.04 0.40 -0.01 -0.97 -0.60 0.00 0.00 178.31 177.10 1a7u h ASN 165 N 0.00 -0.12 1.44 2.17 -0.73 -1.09 -1.94 115.58 115.31 1a7u h ASN 165 Ca -0.00 0.06 -0.10 0.00 1.87 0.00 0.00 56.30 58.13 1a7u h ASN 165 Cb 0.96 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.64 1a7u h ASN 165 CO 0.05 -0.03 -0.58 0.44 -0.37 0.00 0.00 177.43 176.95 1a7u h ASP 166 N 0.07 0.00 -0.58 1.15 3.32 -1.37 -1.10 116.42 117.91 1a7u h ASP 166 Ca 0.12 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1a7u h ASP 166 Cb 0.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1a7u h ASP 166 CO -0.21 0.43 -0.04 0.15 -1.72 0.00 0.00 179.24 177.85 1a7u h PHE 167 N 0.00 1.15 -0.05 4.55 3.04 -0.52 -3.16 116.94 121.95 1a7u h PHE 167 Ca -0.02 -0.21 0.00 0.00 3.98 0.00 0.00 57.97 61.71 1a7u h PHE 167 Cb 1.35 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.57 1a7u h PHE 167 CO 0.00 1.03 0.00 0.66 -2.02 0.00 0.00 178.31 177.98 1a7u n TYR 168 N -4.18 0.03 -3.60 0.41 4.01 -0.76 -0.26 117.16 112.80 1a7u n TYR 168 Ca 0.02 -0.02 -0.26 0.00 -0.16 0.00 0.00 57.90 57.49 1a7u n TYR 168 Cb 0.37 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.44 1a7u n TYR 168 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1a7u n ASN 169 N 1.15 -4.69 0.25 7.72 4.13 -0.77 -4.53 115.26 118.51 1a7u n ASN 169 Ca 0.12 -0.92 0.12 0.00 1.68 0.00 0.00 54.58 55.59 1a7u n ASN 169 Cb 0.51 -3.89 0.64 0.00 -1.54 0.00 0.00 39.78 35.50 1a7u n ASN 169 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1a7u h LEU 170 N -1.71 0.00 -2.45 3.41 3.38 -1.48 0.90 115.31 117.36 1a7u h LEU 170 Ca -0.64 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 1a7u h LEU 170 Cb 1.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1a7u h LEU 170 CO 0.49 0.16 -0.01 -2.24 0.09 0.00 0.00 178.44 176.93 1a7u h ASP 171 N 0.00 0.00 0.00 -0.43 2.03 -1.89 -1.62 116.42 114.51 1a7u h ASP 171 Ca -0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.12 1a7u h ASP 171 Cb 0.49 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.96 1a7u h ASP 171 CO 0.02 0.01 -1.77 -1.84 -1.03 0.00 0.00 179.24 174.62 1a7u n GLU 172 N -3.81 1.72 -0.01 4.15 0.28 -0.46 -4.78 120.64 117.73 1a7u n GLU 172 Ca -0.03 -0.03 0.09 0.00 -0.16 0.00 0.00 57.16 57.03 1a7u n GLU 172 Cb 0.09 -1.31 -0.13 0.00 1.43 0.00 0.00 31.44 31.52 1a7u n GLU 172 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1a7u n ASN 173 N -2.34 0.89 -4.68 -1.84 3.02 0.19 -4.85 115.26 105.64 1a7u n ASN 173 Ca -0.16 -0.22 -0.42 0.00 -0.03 0.00 0.00 54.58 53.75 1a7u n ASN 173 Cb 0.78 1.62 -0.03 0.00 -0.61 0.00 0.00 39.78 41.54 1a7u n ASN 173 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1a7u s LEU 174 N -3.90 4.40 0.00 3.41 2.96 -0.62 -1.30 118.68 123.63 1a7u s LEU 174 Ca -0.03 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 1a7u s LEU 174 Cb 0.12 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1a7u s LEU 174 CO 0.74 -1.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.37 1a7u n GLY 175 N 4.28 1.53 1.17 7.98 0.00 0.71 -4.83 105.19 116.03 1a7u n GLY 175 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1a7u n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a7u n THR 176 N -2.00 0.79 0.42 2.61 -2.24 -0.49 -4.86 114.28 108.51 1a7u n THR 176 Ca 0.00 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 1a7u n THR 176 Cb 0.00 -1.42 -0.08 0.00 -2.10 0.00 0.00 70.33 66.73 1a7u n THR 176 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1a7u n ARG 177 N -3.35 0.38 -3.79 -0.78 1.74 -0.42 -4.92 116.66 105.52 1a7u n ARG 177 Ca 0.00 -0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.89 1a7u n ARG 177 Cb 0.11 -1.56 -0.13 0.00 -1.02 0.00 0.00 32.46 29.86 1a7u n ARG 177 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1a7u s ILE 178 N -3.28 -0.01 0.43 0.55 2.07 -0.97 -4.38 121.20 115.60 1a7u s ILE 178 Ca 0.00 0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.24 1a7u s ILE 178 Cb 0.14 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 42.42 1a7u s ILE 178 CO 0.85 0.02 0.72 -0.94 -1.91 0.00 0.00 174.94 173.69 1a7u s SER 179 N 0.44 6.33 0.29 4.50 1.04 -1.26 -0.21 113.70 124.83 1a7u s SER 179 Ca -0.03 0.87 0.02 0.00 0.48 0.00 0.00 55.95 57.29 1a7u s SER 179 Cb -0.04 -2.22 0.59 0.00 0.10 0.00 0.00 66.02 64.45 1a7u s SER 179 CO -0.02 -0.46 1.83 -0.33 0.98 0.00 0.00 173.24 175.24 1a7u h GLU 180 N 0.63 0.93 -0.50 4.02 5.08 -1.98 -2.12 114.58 120.65 1a7u h GLU 180 Ca -0.47 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 57.73 1a7u h GLU 180 Cb 1.20 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1a7u h GLU 180 CO 0.62 0.62 -0.07 0.93 -1.00 0.00 0.00 179.01 180.11 1a7u h GLU 181 N 0.96 0.88 -0.27 2.33 3.07 -1.99 -0.44 114.58 119.12 1a7u h GLU 181 Ca 0.50 -0.29 -0.10 0.00 -0.50 0.00 0.00 59.36 58.98 1a7u h GLU 181 Cb 0.53 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1a7u h GLU 181 CO -0.27 0.92 -0.23 0.00 -1.40 0.00 0.00 179.01 178.03 1a7u h ALA 182 N 1.11 1.08 -0.52 3.43 0.00 -1.79 -1.39 119.26 121.19 1a7u h ALA 182 Ca 0.14 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1a7u h ALA 182 Cb 0.58 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1a7u h ALA 182 CO 0.04 0.56 -0.12 0.28 0.00 0.00 0.00 179.25 180.01 1a7u h VAL 183 N 0.46 1.27 -0.69 0.00 2.07 -1.01 -2.16 116.25 116.20 1a7u h VAL 183 Ca 0.07 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1a7u h VAL 183 Cb 0.66 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1a7u h VAL 183 CO 0.05 0.45 0.43 -0.09 0.02 0.00 0.00 177.57 178.42 1a7u h ARG 184 N 0.87 0.81 -0.78 1.57 2.43 -0.79 -0.28 114.38 118.21 1a7u h ARG 184 Ca 0.13 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1a7u h ARG 184 Cb 0.69 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1a7u h ARG 184 CO 0.05 0.54 0.41 -0.97 -1.51 0.00 0.00 179.97 178.48 1a7u h ASN 185 N 0.84 1.00 -0.66 -3.80 -1.24 -1.12 -0.27 115.58 110.32 1a7u h ASN 185 Ca 0.28 -0.11 -0.06 0.00 0.71 0.00 0.00 56.30 57.11 1a7u h ASN 185 Cb 0.02 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.79 1a7u h ASN 185 CO -0.11 0.83 0.19 0.28 -1.29 0.00 0.00 177.43 177.33 1a7u h SER 186 N 1.09 0.98 -0.77 1.15 0.02 -0.60 -1.59 113.55 113.83 1a7u h SER 186 Ca 0.27 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1a7u h SER 186 Cb 0.07 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1a7u h SER 186 CO -0.04 0.94 0.36 -0.25 -1.14 0.00 0.00 176.83 176.70 1a7u h TRP 187 N 0.97 1.11 -0.61 3.45 7.01 -0.72 -1.54 115.95 125.62 1a7u h TRP 187 Ca 0.21 -0.06 -0.06 0.00 2.11 0.00 0.00 58.89 61.09 1a7u h TRP 187 Cb 0.32 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1a7u h TRP 187 CO 0.02 0.82 0.13 -0.91 -2.79 0.00 0.00 178.44 175.72 1a7u h ASN 188 N 1.09 0.95 -0.56 2.65 2.35 -0.71 -0.20 115.58 121.14 1a7u h ASN 188 Ca 0.26 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1a7u h ASN 188 Cb 0.13 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1a7u h ASN 188 CO -0.03 0.95 0.37 0.74 -1.65 0.00 0.00 177.43 177.81 1a7u h THR 189 N 0.91 1.14 -0.71 2.81 2.02 -1.07 -2.21 112.91 115.79 1a7u h THR 189 Ca 0.19 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1a7u h THR 189 Cb 0.38 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1a7u h THR 189 CO 0.01 0.14 0.38 0.00 0.37 0.00 0.00 175.52 176.41 1a7u h ALA 190 N 1.21 0.91 0.00 6.16 0.00 -0.84 -2.27 119.26 124.43 1a7u h ALA 190 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1a7u h ALA 190 Cb -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1a7u h ALA 190 CO -0.05 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1a7u h ALA 191 N 1.19 1.00 0.00 0.00 0.00 -0.77 -2.19 119.26 118.48 1a7u h ALA 191 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1a7u h ALA 191 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1a7u h ALA 191 CO -0.04 0.00 -0.10 0.66 0.00 0.00 0.00 179.25 179.77 1a7u h SER 192 N 0.00 0.00 -4.13 0.00 4.64 -0.80 -3.46 113.55 109.80 1a7u h SER 192 Ca 0.00 -0.03 -0.49 0.00 -0.47 0.00 0.00 61.79 60.81 1a7u h SER 192 Cb 0.51 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.74 1a7u h SER 192 CO 0.00 0.01 0.27 -0.83 -0.87 0.00 0.00 176.83 175.41 1a7u s GLY 193 N -3.69 1.62 0.41 -0.77 0.00 -0.83 -4.71 107.32 99.36 1a7u s GLY 193 Ca 0.09 -0.06 -0.25 0.00 0.00 0.00 0.00 44.72 44.50 1a7u s GLY 193 CO 0.63 0.41 1.24 -0.32 0.00 0.00 0.00 173.10 175.05 1a7u s GLY 194 N -3.50 2.89 0.28 0.20 0.00 0.15 -4.93 107.32 102.42 1a7u s GLY 194 Ca 0.63 1.10 0.02 0.00 0.00 0.00 0.00 44.72 46.47 1a7u s GLY 194 CO 0.56 1.65 1.74 0.27 0.00 0.00 0.00 173.10 177.33 1a7u h PHE 195 N 2.59 0.59 -0.09 1.90 -0.00 -1.94 -1.99 116.94 118.00 1a7u h PHE 195 Ca -0.49 -0.11 -0.10 0.00 -0.00 0.00 0.00 57.97 57.27 1a7u h PHE 195 Cb 1.24 -0.15 0.00 0.00 -0.00 0.00 0.00 35.95 37.04 1a7u h PHE 195 CO 0.54 0.69 -0.33 0.35 -0.00 0.00 0.00 178.31 179.56 1a7u h PHE 196 N 0.49 0.50 -0.62 6.09 3.04 -1.92 -3.12 116.94 121.41 1a7u h PHE 196 Ca 0.08 -0.21 0.01 0.00 3.98 0.00 0.00 57.97 61.83 1a7u h PHE 196 Cb 0.59 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.99 1a7u h PHE 196 CO 0.02 0.94 0.41 0.00 -2.02 0.00 0.00 178.31 177.66 1a7u h ALA 197 N 0.46 1.57 -0.93 2.41 0.00 -1.80 -0.11 119.26 120.86 1a7u h ALA 197 Ca -0.02 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1a7u h ALA 197 Cb 0.96 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1a7u h ALA 197 CO 0.07 0.40 0.60 0.00 0.00 0.00 0.00 179.25 180.32 1a7u h ALA 198 N 1.62 1.25 0.00 0.00 0.00 -1.29 -0.91 119.26 119.92 1a7u h ALA 198 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1a7u h ALA 198 Cb -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1a7u h ALA 198 CO -0.05 0.45 -0.91 0.00 0.00 0.00 0.00 179.25 178.74 1a7u h ALA 199 N 1.39 0.52 0.00 0.00 0.00 -1.43 -3.36 119.26 116.40 1a7u h ALA 199 Ca 0.38 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.10 1a7u h ALA 199 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1a7u h ALA 199 CO -0.13 0.00 -1.11 0.00 0.00 0.00 0.00 179.25 178.01 1a7u h ALA 200 N 2.10 0.60 -0.66 0.00 0.00 -0.77 -3.39 119.26 117.14 1a7u h ALA 200 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1a7u h ALA 200 Cb 0.95 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1a7u h ALA 200 CO 0.00 1.06 0.43 0.00 0.00 0.00 0.00 179.25 180.74 1a7u h ALA 201 N 1.25 0.84 -0.20 0.00 0.00 -1.31 -2.44 119.26 117.41 1a7u h ALA 201 Ca -0.10 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1a7u h ALA 201 Cb 1.66 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1a7u h ALA 201 CO 0.08 0.28 0.17 -1.35 0.00 0.00 0.00 179.25 178.43 1a7u h PRO 202 N 0.90 0.00 0.00 0.00 0.11 -1.78 0.30 132.00 131.53 1a7u h PRO 202 Ca 0.24 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 1a7u h PRO 202 Cb -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 1a7u h PRO 202 CO -0.05 0.00 -0.16 1.79 -0.21 0.00 0.00 178.00 179.37 1a7u h THR 203 N 0.00 0.51 0.00 -1.15 1.35 -1.68 -2.53 112.91 109.42 1a7u h THR 203 Ca 0.09 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1a7u h THR 203 Cb 0.43 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1a7u h THR 203 CO -0.00 0.16 -0.21 0.71 -0.25 0.00 0.00 175.52 175.92 1a7u h THR 204 N 0.00 0.00 0.00 6.82 1.35 -1.03 -3.35 112.91 116.71 1a7u h THR 204 Ca -0.00 -0.65 -0.03 0.00 -0.55 0.00 0.00 66.41 65.18 1a7u h THR 204 Cb 0.53 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1a7u h THR 204 CO 0.02 0.00 -0.13 -0.50 -0.25 0.00 0.00 175.52 174.66 1a7u h TRP 205 N 0.00 0.00 -0.60 4.73 6.55 -1.48 -2.13 115.95 123.02 1a7u h TRP 205 Ca 0.00 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.67 1a7u h TRP 205 Cb 0.82 0.00 -0.10 0.00 -0.86 0.00 0.00 29.16 29.02 1a7u h TRP 205 CO 0.00 0.13 0.22 2.48 -1.05 0.00 0.00 178.44 180.22 1a7u n TYR 206 N -4.33 1.99 -1.73 0.49 0.18 -1.26 -4.57 117.16 107.93 1a7u n TYR 206 Ca -0.03 -0.99 -0.39 0.00 1.88 0.00 0.00 57.90 58.37 1a7u n TYR 206 Cb 0.20 -0.59 0.03 0.00 -0.38 0.00 0.00 39.34 38.61 1a7u n TYR 206 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1a7u n THR 207 N -0.05 3.27 -2.95 -3.48 -1.04 -0.80 -4.58 114.28 104.64 1a7u n THR 207 Ca 0.33 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 1a7u n THR 207 Cb 1.19 -1.64 -0.05 0.00 -1.82 0.00 0.00 70.33 68.01 1a7u n THR 207 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1a7u s ASP 208 N -0.74 6.62 -0.12 8.00 -1.08 -1.26 -4.52 116.67 123.57 1a7u s ASP 208 Ca 0.67 0.56 0.16 0.00 -0.52 0.00 0.00 52.55 53.42 1a7u s ASP 208 Cb -0.45 -2.40 0.64 0.00 -1.46 0.00 0.00 42.92 39.25 1a7u s ASP 208 CO 0.53 -0.65 1.55 0.49 0.52 0.00 0.00 175.17 177.61 1a7u n PHE 209 N 6.28 1.31 0.04 -5.34 3.72 -0.14 -4.66 117.46 118.67 1a7u n PHE 209 Ca 0.03 -0.66 0.01 0.00 -0.05 0.00 0.00 57.45 56.78 1a7u n PHE 209 Cb 0.48 -0.26 0.33 0.00 -0.94 0.00 0.00 39.48 39.10 1a7u n PHE 209 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a7u h ARG 210 N 3.35 0.43 0.00 -1.08 3.08 -1.89 -1.32 114.38 116.95 1a7u h ARG 210 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1a7u h ARG 210 Cb 1.41 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1a7u h ARG 210 CO 0.23 0.48 0.00 0.00 -1.07 0.00 0.00 179.97 179.61 1a7u h ALA 211 N 1.56 1.00 0.01 0.04 0.00 -1.93 -3.25 119.26 116.69 1a7u h ALA 211 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 1a7u h ALA 211 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1a7u h ALA 211 CO 0.01 0.00 -1.34 -0.44 0.00 0.00 0.00 179.25 177.48 1a7u h ASP 212 N 0.00 0.04 -0.64 0.00 3.32 -1.57 -3.40 116.42 114.17 1a7u h ASP 212 Ca 0.00 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.03 1a7u h ASP 212 Cb 0.67 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 1a7u h ASP 212 CO 0.00 1.05 0.37 0.40 -1.72 0.00 0.00 179.24 179.35 1a7u h ILE 213 N 0.01 1.03 0.00 0.35 2.04 -1.54 -2.20 117.51 117.19 1a7u h ILE 213 Ca -0.15 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1a7u h ILE 213 Cb 1.89 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1a7u h ILE 213 CO 0.11 0.13 0.00 -0.65 0.00 0.00 0.00 178.15 177.74 1a7u h PRO 214 N 0.72 0.00 -0.00 2.37 0.11 -1.78 -0.92 132.00 132.49 1a7u h PRO 214 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1a7u h PRO 214 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1a7u h PRO 214 CO -0.14 0.00 -0.11 0.54 -0.21 0.00 0.00 178.00 178.08 1a7u n ARG 215 N -3.05 0.59 -2.25 1.05 5.12 -0.83 -4.75 116.66 112.55 1a7u n ARG 215 Ca -0.02 -0.18 -0.42 0.00 -1.93 0.00 0.00 57.85 55.30 1a7u n ARG 215 Cb 0.12 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.89 1a7u n ARG 215 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1a7u s ILE 216 N -2.53 3.70 -0.19 0.55 1.01 -0.35 -4.76 121.20 118.62 1a7u s ILE 216 Ca 0.27 0.65 0.15 0.00 0.00 0.00 0.00 60.65 61.73 1a7u s ILE 216 Cb 0.20 -4.13 0.44 0.00 0.01 0.00 0.00 42.46 38.97 1a7u s ILE 216 CO 0.49 -0.85 1.32 -0.90 0.00 0.00 0.00 174.94 175.00 1a7u n ASP 217 N 9.91 2.89 -4.42 3.58 5.75 -1.26 -5.00 116.55 128.00 1a7u n ASP 217 Ca 0.17 -3.28 -0.21 0.00 -0.01 0.00 0.00 54.79 51.46 1a7u n ASP 217 Cb 0.49 -0.52 -0.10 0.00 -1.03 0.00 0.00 41.12 39.95 1a7u n ASP 217 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1a7u s VAL 218 N -2.97 1.61 0.30 2.12 -7.23 -1.26 -5.11 120.40 107.86 1a7u s VAL 218 Ca 0.39 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 1a7u s VAL 218 Cb 0.34 -2.43 -0.12 0.00 0.56 0.00 0.00 36.38 34.72 1a7u s VAL 218 CO 0.04 -0.31 1.41 -2.65 -0.31 0.00 0.00 175.10 173.27 1a7u n PRO 219 N -0.57 2.25 -4.12 4.82 -0.02 -1.26 -4.78 135.00 131.32 1a7u n PRO 219 Ca -0.05 0.79 -0.16 0.00 -2.02 0.00 0.00 63.50 62.06 1a7u n PRO 219 Cb 0.63 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.54 1a7u n PRO 219 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a7u s ALA 220 N -0.48 0.89 -0.06 3.55 0.00 -1.26 -1.28 121.76 123.11 1a7u s ALA 220 Ca 0.62 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.74 1a7u s ALA 220 Cb -0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 1a7u s ALA 220 CO 0.55 0.08 -0.23 -1.17 0.00 0.00 0.00 175.76 174.98 1a7u s LEU 221 N -1.66 2.04 -0.17 0.00 2.96 -0.77 -0.75 118.68 120.33 1a7u s LEU 221 Ca -0.06 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 1a7u s LEU 221 Cb -0.10 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.30 1a7u s LEU 221 CO 0.01 0.21 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.43 1a7u s ILE 222 N -0.04 2.00 -0.02 6.68 1.01 0.53 -0.43 121.20 130.92 1a7u s ILE 222 Ca -0.06 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1a7u s ILE 222 Cb -0.14 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 1a7u s ILE 222 CO 0.04 0.53 -0.13 -0.22 0.00 0.00 0.00 174.94 175.17 1a7u s LEU 223 N 1.24 1.94 -0.03 2.97 0.20 -0.19 -1.03 118.68 123.78 1a7u s LEU 223 Ca 0.03 -0.24 -0.18 0.00 0.69 0.00 0.00 54.13 54.43 1a7u s LEU 223 Cb -0.13 -0.70 0.03 0.00 -0.43 0.00 0.00 46.19 44.96 1a7u s LEU 223 CO -0.11 0.13 0.38 -2.28 -0.29 0.00 0.00 176.35 174.18 1a7u s HIS 224 N -0.11 -0.28 0.09 5.38 2.46 -0.69 -0.63 115.29 121.51 1a7u s HIS 224 Ca 0.01 0.45 -0.20 0.00 0.47 0.00 0.00 55.06 55.80 1a7u s HIS 224 Cb -0.07 0.15 -0.07 0.00 -0.13 0.00 0.00 32.58 32.46 1a7u s HIS 224 CO 0.00 -0.42 0.59 0.20 -2.47 0.00 0.00 174.74 172.64 1a7u s GLY 225 N -1.23 2.68 0.48 1.59 0.00 -1.26 -0.60 107.32 108.98 1a7u s GLY 225 Ca -0.13 0.06 0.29 0.00 0.00 0.00 0.00 44.72 44.94 1a7u s GLY 225 CO 0.05 0.48 1.81 -0.91 0.00 0.00 0.00 173.10 174.53 1a7u h THR 226 N 3.47 0.00 -0.51 0.90 1.35 -1.32 -2.96 112.91 113.84 1a7u h THR 226 Ca -0.49 -0.71 -0.09 0.00 -0.55 0.00 0.00 66.41 64.57 1a7u h THR 226 Cb 1.21 1.70 -0.05 0.00 -1.73 0.00 0.00 68.15 69.28 1a7u h THR 226 CO 0.64 0.00 0.12 0.61 -0.25 0.00 0.00 175.52 176.63 1a7u n GLY 227 N 0.53 2.93 3.65 5.82 0.00 0.29 -4.82 105.19 113.58 1a7u n GLY 227 Ca 0.02 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1a7u n GLY 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a7u s ASP 228 N -0.63 6.70 0.07 1.61 -1.08 -1.12 -4.37 116.67 117.85 1a7u s ASP 228 Ca 0.42 1.72 0.23 0.00 -0.52 0.00 0.00 52.55 54.40 1a7u s ASP 228 Cb 0.33 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 39.26 1a7u s ASP 228 CO 0.11 -0.97 0.98 0.54 0.52 0.00 0.00 175.17 176.35 1a7u n ARG 229 N 7.10 0.39 -0.06 4.34 1.74 -1.26 -4.08 116.66 124.83 1a7u n ARG 229 Ca 0.16 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.04 1a7u n ARG 229 Cb 0.45 -1.64 -0.13 0.00 -1.02 0.00 0.00 32.46 30.13 1a7u n ARG 229 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1a7u h THR 230 N 0.00 1.10 -3.22 0.55 2.02 -1.89 -3.43 112.91 108.03 1a7u h THR 230 Ca 0.00 -2.28 -0.63 0.00 0.77 0.00 0.00 66.41 64.28 1a7u h THR 230 Cb 0.82 2.59 -0.40 0.00 -1.74 0.00 0.00 68.15 69.41 1a7u h THR 230 CO 0.00 0.50 -0.69 -0.76 0.37 0.00 0.00 175.52 174.94 1a7u s LEU 231 N -7.81 3.54 0.09 2.58 1.43 -1.26 -5.09 118.68 112.15 1a7u s LEU 231 Ca -0.24 -2.71 -0.35 0.00 -1.03 0.00 0.00 54.13 49.79 1a7u s LEU 231 Cb 0.04 -1.34 -0.15 0.00 0.03 0.00 0.00 46.19 44.77 1a7u s LEU 231 CO 0.66 -0.27 1.52 -2.65 0.23 0.00 0.00 176.35 175.85 1a7u n PRO 232 N 3.47 1.74 0.03 1.29 -0.02 -1.26 -4.78 135.00 135.47 1a7u n PRO 232 Ca 0.06 0.63 0.03 0.00 -2.02 0.00 0.00 63.50 62.20 1a7u n PRO 232 Cb 0.34 -2.35 0.40 0.00 -0.02 0.00 0.00 33.50 31.87 1a7u n PRO 232 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1a7u h ILE 233 N 3.74 1.13 0.00 4.25 2.10 -1.83 -1.47 117.51 125.43 1a7u h ILE 233 Ca -0.46 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.08 1a7u h ILE 233 Cb 1.29 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 1a7u h ILE 233 CO 0.86 0.16 0.00 1.05 -1.08 0.00 0.00 178.15 179.13 1a7u h GLU 234 N 0.48 0.00 -0.01 2.19 9.09 -1.96 -1.94 114.58 122.42 1a7u h GLU 234 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.53 1a7u h GLU 234 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 1a7u h GLU 234 CO -0.01 0.00 -0.32 0.09 0.05 0.00 0.00 179.01 178.81 1a7u n ASN 235 N -2.56 1.45 0.00 3.06 4.13 -0.59 -4.46 115.26 116.29 1a7u n ASN 235 Ca 0.01 -1.23 0.00 0.00 1.68 0.00 0.00 54.58 55.04 1a7u n ASN 235 Cb 0.20 0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.94 1a7u n ASN 235 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1a7u n THR 236 N -0.24 0.00 -0.24 3.41 -2.24 -0.98 -4.56 114.28 109.43 1a7u n THR 236 Ca 0.06 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.84 1a7u n THR 236 Cb 0.30 -0.02 0.13 0.00 -2.10 0.00 0.00 70.33 68.63 1a7u n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a7u h ALA 237 N 0.94 0.94 -0.14 6.98 0.00 -1.71 0.13 119.26 126.40 1a7u h ALA 237 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1a7u h ALA 237 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1a7u h ALA 237 CO 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 179.25 179.02 1a7u h ARG 238 N 0.60 0.23 0.09 0.00 3.08 -1.63 0.08 114.38 116.83 1a7u h ARG 238 Ca 0.33 -0.06 -0.29 0.00 0.07 0.00 0.00 59.98 60.03 1a7u h ARG 238 Cb 0.33 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1a7u h ARG 238 CO -0.25 0.43 -1.43 -0.39 -1.07 0.00 0.00 179.97 177.26 1a7u h VAL 239 N 0.22 1.26 -0.85 2.04 -1.51 -1.58 -3.21 116.25 112.61 1a7u h VAL 239 Ca 0.04 -2.92 -0.02 0.00 -1.23 0.00 0.00 66.70 62.57 1a7u h VAL 239 Cb 0.47 2.77 -0.04 0.00 -2.13 0.00 0.00 31.29 32.36 1a7u h VAL 239 CO 0.03 0.82 0.45 0.15 -1.23 0.00 0.00 177.57 177.79 1a7u h PHE 240 N 0.05 1.19 -0.58 5.19 3.57 -0.54 -2.07 116.94 123.76 1a7u h PHE 240 Ca -0.20 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 1a7u h PHE 240 Cb 1.97 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 40.31 1a7u h PHE 240 CO 0.05 0.83 0.18 1.25 -2.23 0.00 0.00 178.31 178.39 1a7u h HIS 241 N 1.20 0.89 -0.27 0.41 2.76 -1.05 -0.79 115.15 118.30 1a7u h HIS 241 Ca 0.30 -0.07 -0.08 0.00 -2.20 0.00 0.00 60.37 58.31 1a7u h HIS 241 Cb 0.06 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1a7u h HIS 241 CO 0.01 0.72 -0.19 -0.22 -1.30 0.00 0.00 177.93 176.95 1a7u h LYS 242 N 0.85 0.48 0.00 5.26 3.64 -1.41 -2.59 116.57 122.79 1a7u h LYS 242 Ca 0.19 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1a7u h LYS 242 Cb 0.25 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1a7u h LYS 242 CO -0.01 0.65 -0.06 0.00 -2.27 0.00 0.00 179.45 177.77 1a7u h ALA 243 N 1.36 0.96 -2.05 5.00 0.00 -0.68 -3.37 119.26 120.49 1a7u h ALA 243 Ca 0.07 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.36 1a7u h ALA 243 Cb 0.59 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.97 1a7u h ALA 243 CO 0.04 0.07 -1.03 -0.11 0.00 0.00 0.00 179.25 178.23 1a7u n LEU 244 N -3.12 0.68 0.24 0.00 7.94 -0.38 -4.85 117.00 117.52 1a7u n LEU 244 Ca 0.04 -4.79 0.17 0.00 -1.11 0.00 0.00 56.01 50.31 1a7u n LEU 244 Cb 0.55 0.44 0.77 0.00 0.53 0.00 0.00 43.42 45.71 1a7u n LEU 244 CO 0.35 2.06 0.99 1.55 -1.11 0.00 0.00 177.39 181.22 1a7u h PRO 245 N 4.10 0.00 0.00 1.96 0.13 -1.63 -2.42 132.00 134.14 1a7u h PRO 245 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1a7u h PRO 245 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1a7u h PRO 245 CO 0.51 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.15 1a7u n SER 246 N -2.76 0.07 -4.77 1.44 3.41 -1.26 -4.85 113.62 104.89 1a7u n SER 246 Ca -0.00 0.51 -0.37 0.00 -0.26 0.00 0.00 58.87 58.75 1a7u n SER 246 Cb 0.18 -0.53 -0.01 0.00 -0.26 0.00 0.00 64.21 63.60 1a7u n SER 246 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a7u s ALA 247 N -3.01 2.93 0.18 7.33 0.00 -0.91 -4.79 121.76 123.49 1a7u s ALA 247 Ca 0.13 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1a7u s ALA 247 Cb 0.18 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 1a7u s ALA 247 CO 0.51 -0.69 1.29 -2.00 0.00 0.00 0.00 175.76 174.87 1a7u s GLU 248 N -2.78 4.41 -0.13 0.00 2.12 0.07 -4.87 118.70 117.52 1a7u s GLU 248 Ca 0.65 2.00 0.02 0.00 0.36 0.00 0.00 54.97 57.99 1a7u s GLU 248 Cb -0.28 -3.22 0.02 0.00 0.26 0.00 0.00 34.13 30.90 1a7u s GLU 248 CO 0.34 -0.23 -0.18 -0.47 -0.54 0.00 0.00 175.26 174.18 1a7u s TYR 249 N 0.23 2.31 -0.12 5.30 5.04 -1.26 -0.35 117.35 128.50 1a7u s TYR 249 Ca 0.57 -1.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.01 1a7u s TYR 249 Cb -0.35 -1.63 0.02 0.00 0.35 0.00 0.00 41.96 40.35 1a7u s TYR 249 CO 0.36 -0.59 -0.12 0.08 -1.34 0.00 0.00 175.55 173.95 1a7u s VAL 250 N 1.07 1.31 -0.19 3.14 1.01 -0.20 -4.99 120.40 121.55 1a7u s VAL 250 Ca -0.03 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1a7u s VAL 250 Cb -0.14 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1a7u s VAL 250 CO -0.05 0.41 0.06 -1.61 0.00 0.00 0.00 175.10 173.92 1a7u s GLU 251 N 1.45 3.92 -0.43 2.72 2.02 -1.26 -1.71 118.70 125.40 1a7u s GLU 251 Ca 0.02 -0.37 -0.15 0.00 0.02 0.00 0.00 54.97 54.49 1a7u s GLU 251 Cb -0.13 -3.23 0.04 0.00 0.10 0.00 0.00 34.13 30.91 1a7u s GLU 251 CO -0.07 0.19 0.33 0.08 0.02 0.00 0.00 175.26 175.81 1a7u s VAL 252 N 0.60 5.17 0.19 2.63 1.01 0.23 -4.96 120.40 125.27 1a7u s VAL 252 Ca 0.03 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 1a7u s VAL 252 Cb -0.13 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 1a7u s VAL 252 CO 0.01 -0.42 1.57 -0.70 0.00 0.00 0.00 175.10 175.56 1a7u s GLU 253 N 1.65 4.20 0.00 2.72 2.56 -1.26 -1.65 118.70 126.92 1a7u s GLU 253 Ca 0.04 2.40 0.00 0.00 0.00 0.00 0.00 54.97 57.42 1a7u s GLU 253 Cb -0.21 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 32.79 1a7u s GLU 253 CO 0.08 -0.60 0.00 0.41 -0.56 0.00 0.00 175.26 174.59 1a7u n GLY 254 N 3.43 1.30 3.82 -1.50 0.00 -1.26 -4.85 105.19 106.14 1a7u n GLY 254 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1a7u n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a7u s ALA 255 N -3.31 3.07 0.59 4.61 0.00 -1.04 -4.35 121.76 121.32 1a7u s ALA 255 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1a7u s ALA 255 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1a7u s ALA 255 CO 0.00 0.11 0.00 -0.35 0.00 0.00 0.00 175.76 175.52 1a7u n PRO 256 N -0.71 0.55 -0.13 0.00 -0.04 -1.26 -0.55 135.00 132.86 1a7u n PRO 256 Ca 0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1a7u n PRO 256 Cb 0.54 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.98 1a7u n PRO 256 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1a7u h HIS 257 N -0.53 0.68 -0.13 0.54 -0.00 -1.72 -3.25 115.15 110.73 1a7u h HIS 257 Ca 0.00 -0.10 -0.19 0.00 -0.00 0.00 0.00 60.37 60.08 1a7u h HIS 257 Cb 0.00 -0.18 -0.07 0.00 -0.00 0.00 0.00 27.41 27.16 1a7u h HIS 257 CO 0.00 0.69 -0.20 0.41 -0.00 0.00 0.00 177.93 178.83 1a7u n GLY 258 N -0.46 3.08 0.00 5.26 0.00 0.64 -4.56 105.19 109.14 1a7u n GLY 258 Ca -0.01 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.11 1a7u n GLY 258 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1a7u n LEU 259 N 2.05 0.00 0.02 0.99 -0.00 -1.23 -2.69 117.00 116.14 1a7u n LEU 259 Ca 0.34 0.31 0.01 0.00 -0.00 0.00 0.00 56.01 56.67 1a7u n LEU 259 Cb 0.78 -0.31 0.33 0.00 -0.00 0.00 0.00 43.42 44.22 1a7u n LEU 259 CO 0.13 -0.03 0.96 -0.07 -0.00 0.00 0.00 177.39 178.37 1a7u h LEU 260 N 0.00 0.45 0.00 1.47 3.38 -1.89 -2.29 115.31 116.44 1a7u h LEU 260 Ca 0.00 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1a7u h LEU 260 Cb 0.28 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1a7u h LEU 260 CO 0.00 0.51 -1.09 1.87 0.09 0.00 0.00 178.44 179.82 1a7u n TRP 261 N -4.30 0.66 0.16 1.13 -0.00 -1.09 -3.75 117.44 110.24 1a7u n TRP 261 Ca 0.01 0.29 0.04 0.00 -0.00 0.00 0.00 57.50 57.84 1a7u n TRP 261 Cb 0.22 -0.85 0.44 0.00 -0.00 0.00 0.00 31.31 31.13 1a7u n TRP 261 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 1a7u h THR 262 N -1.00 1.16 -0.63 5.87 1.35 -1.60 -3.05 112.91 115.01 1a7u h THR 262 Ca -0.19 -0.71 -0.44 0.00 -0.55 0.00 0.00 66.41 64.52 1a7u h THR 262 Cb 0.97 1.26 -0.41 0.00 -1.73 0.00 0.00 68.15 68.24 1a7u h THR 262 CO -0.12 0.21 -0.90 1.41 -0.25 0.00 0.00 175.52 175.88 1a7u n HIS 263 N -4.30 2.21 -0.28 4.73 8.25 -0.86 -4.90 115.22 120.06 1a7u n HIS 263 Ca -0.01 -2.16 0.05 0.00 -0.26 0.00 0.00 57.72 55.34 1a7u n HIS 263 Cb 0.26 -0.30 0.20 0.00 1.12 0.00 0.00 29.99 31.26 1a7u n HIS 263 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a7u h ALA 264 N 2.26 1.19 -0.35 -1.41 0.00 -1.50 -0.78 119.26 118.67 1a7u h ALA 264 Ca 0.20 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1a7u h ALA 264 Cb 1.45 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1a7u h ALA 264 CO 0.56 -0.06 0.21 0.93 0.00 0.00 0.00 179.25 180.89 1a7u h GLU 265 N 0.64 0.41 -0.63 0.00 4.39 -1.90 0.17 114.58 117.66 1a7u h GLU 265 Ca 0.43 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 60.03 1a7u h GLU 265 Cb 0.55 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1a7u h GLU 265 CO -0.33 0.27 0.11 0.93 -1.16 0.00 0.00 179.01 178.83 1a7u h GLU 266 N 0.42 1.04 -0.34 2.33 3.07 -1.80 -0.76 114.58 118.54 1a7u h GLU 266 Ca 0.14 -0.28 -0.05 0.00 -0.50 0.00 0.00 59.36 58.67 1a7u h GLU 266 Cb 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 1a7u h GLU 266 CO -0.06 0.97 0.03 0.28 -1.40 0.00 0.00 179.01 178.82 1a7u h VAL 267 N 0.96 1.25 -0.64 3.13 2.07 -0.79 -2.55 116.25 119.68 1a7u h VAL 267 Ca 0.19 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 1a7u h VAL 267 Cb 0.43 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1a7u h VAL 267 CO 0.01 0.30 0.15 0.78 0.02 0.00 0.00 177.57 178.83 1a7u h ASN 268 N 0.39 0.97 -0.34 0.57 2.35 -0.56 -0.13 115.58 118.83 1a7u h ASN 268 Ca 0.10 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1a7u h ASN 268 Cb 0.40 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1a7u h ASN 268 CO 0.01 0.96 0.19 0.74 -1.65 0.00 0.00 177.43 177.68 1a7u h THR 269 N 0.94 1.13 -0.49 2.81 2.02 -1.09 0.85 112.91 119.08 1a7u h THR 269 Ca 0.20 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 1a7u h THR 269 Cb 0.37 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1a7u h THR 269 CO 0.00 0.13 0.09 0.00 0.37 0.00 0.00 175.52 176.12 1a7u h ALA 270 N 1.06 0.65 -0.21 6.16 0.00 -1.18 -1.91 119.26 123.83 1a7u h ALA 270 Ca 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1a7u h ALA 270 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1a7u h ALA 270 CO -0.02 0.37 0.03 1.25 0.00 0.00 0.00 179.25 180.88 1a7u h LEU 271 N 0.69 0.34 -1.09 0.00 5.85 -0.80 -1.36 115.31 118.94 1a7u h LEU 271 Ca 0.15 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1a7u h LEU 271 Cb 0.37 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1a7u h LEU 271 CO 0.01 0.52 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.44 1a7u h LEU 272 N 0.15 0.50 -0.67 2.25 3.38 -0.78 -1.02 115.31 119.11 1a7u h LEU 272 Ca 0.06 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1a7u h LEU 272 Cb 0.33 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1a7u h LEU 272 CO 0.00 0.65 -0.08 0.00 0.09 0.00 0.00 178.44 179.10 1a7u h ALA 273 N 1.41 0.87 -0.34 1.53 0.00 -1.14 -1.76 119.26 119.83 1a7u h ALA 273 Ca 0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1a7u h ALA 273 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1a7u h ALA 273 CO 0.03 0.65 0.03 0.35 0.00 0.00 0.00 179.25 180.31 1a7u h PHE 274 N 0.86 0.61 -0.02 0.00 3.57 -0.88 -2.96 116.94 118.12 1a7u h PHE 274 Ca 0.14 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1a7u h PHE 274 Cb 0.62 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1a7u h PHE 274 CO 0.04 0.66 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.47 1a7u h LEU 275 N 0.39 0.03 -0.54 0.59 3.38 -1.01 -2.87 115.31 115.28 1a7u h LEU 275 Ca 0.10 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1a7u h LEU 275 Cb 0.39 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1a7u h LEU 275 CO 0.01 0.27 -0.13 0.00 0.09 0.00 0.00 178.44 178.68 1a7u h ALA 276 N 1.73 0.95 0.00 1.53 0.00 -1.16 -3.51 119.26 118.79 1a7u h ALA 276 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1a7u h ALA 276 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1a7u h ALA 276 CO 0.03 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.08