#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 0.59 -0.12 6.00 0.08 -1.26 -0.91 117.98 122.36 1a7u s PHE 2 Ca 0.00 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.58 1a7u s PHE 2 Cb 0.00 -0.36 0.01 0.00 -0.57 0.00 0.00 43.02 42.11 1a7u s PHE 2 CO 0.00 -0.10 -0.16 0.42 -0.10 0.00 0.00 175.22 175.28 1a7u s ILE 3 N -1.35 1.56 -0.11 0.64 1.01 -0.49 -4.93 121.20 117.53 1a7u s ILE 3 Ca -0.11 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 1a7u s ILE 3 Cb -0.10 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 1a7u s ILE 3 CO 0.00 0.45 1.06 -0.89 0.00 0.00 0.00 174.94 175.56 1a7u s THR 4 N 1.02 4.64 -0.42 2.92 2.01 -1.26 -0.19 115.64 124.36 1a7u s THR 4 Ca -0.05 1.93 0.04 0.00 0.31 0.00 0.00 61.69 63.91 1a7u s THR 4 Cb -0.15 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.14 1a7u s THR 4 CO -0.03 -0.02 0.55 1.33 -0.69 0.00 0.00 174.62 175.77 1a7u n VAL 5 N 4.65 0.00 -3.46 3.82 0.24 0.01 -4.98 118.33 118.61 1a7u n VAL 5 Ca 0.10 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1a7u n VAL 5 Cb 0.48 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 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 0.33 -1.11 3.03 7.63 0.00 -1.18 -4.94 105.19 108.96 1a7u n GLY 6 Ca 0.02 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.92 0.55 -0.23 1.61 2.00 -1.26 -0.57 119.66 120.83 1a7u s GLN 7 Ca 0.00 -0.52 -0.02 0.00 -2.00 0.00 0.00 55.36 52.82 1a7u s GLN 7 Cb 0.00 -0.44 0.07 0.00 0.80 0.00 0.00 33.01 33.44 1a7u s GLN 7 CO 0.00 0.10 0.03 -2.00 -0.50 0.00 0.00 175.29 172.92 1a7u s GLU 8 N -0.92 0.89 4.93 1.67 2.12 0.11 -4.83 118.70 122.67 1a7u s GLU 8 Ca -0.03 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.59 1a7u s GLU 8 Cb -0.06 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 32.13 1a7u s GLU 8 CO 0.00 -0.71 0.00 0.09 -0.54 0.00 0.00 175.26 174.10 1a7u n ASN 9 N 4.91 0.00 -0.18 -1.70 3.02 -1.26 -0.51 115.26 119.55 1a7u n ASN 9 Ca -0.08 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.62 1a7u n ASN 9 Cb 0.45 0.00 0.76 0.00 -0.61 0.00 0.00 39.78 40.38 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 5.86 0.57 -4.60 6.41 3.41 -1.26 -4.90 113.62 119.11 1a7u n SER 10 Ca 0.00 -1.11 -0.24 0.00 -0.26 0.00 0.00 58.87 57.26 1a7u n SER 10 Cb 0.00 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 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 -2.07 2.87 0.37 6.66 -4.23 0.34 -5.14 115.64 114.44 1a7u s THR 11 Ca 0.42 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1a7u s THR 11 Cb 0.21 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 1a7u s THR 11 CO 0.37 -0.31 0.57 -0.94 -0.54 0.00 0.00 174.62 173.78 1a7u s SER 12 N -3.65 6.21 -0.33 3.99 1.04 -1.26 0.08 113.70 119.77 1a7u s SER 12 Ca 0.33 0.42 -0.10 0.00 0.48 0.00 0.00 55.95 57.08 1a7u s SER 12 Cb -0.03 -1.94 0.01 0.00 0.10 0.00 0.00 66.02 64.16 1a7u s SER 12 CO 0.18 -0.37 0.16 -0.63 0.98 0.00 0.00 173.24 173.57 1a7u s ILE 13 N -2.36 4.51 -0.05 -1.02 1.01 0.27 -4.71 121.20 118.84 1a7u s ILE 13 Ca 0.42 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.48 1a7u s ILE 13 Cb -0.10 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1a7u s ILE 13 CO 0.36 -0.05 -0.20 -1.81 0.00 0.00 0.00 174.94 173.23 1a7u s ASP 14 N 1.57 3.48 -0.10 3.58 1.01 -1.26 -0.81 116.67 124.13 1a7u s ASP 14 Ca 0.03 -0.38 -0.03 0.00 0.71 0.00 0.00 52.55 52.88 1a7u s ASP 14 Cb -0.18 -0.81 -0.03 0.00 1.01 0.00 0.00 42.92 42.90 1a7u s ASP 14 CO 0.06 0.29 0.03 -0.76 0.21 0.00 0.00 175.17 175.00 1a7u s LEU 15 N -0.39 3.74 0.18 1.23 1.43 0.74 -0.73 118.68 124.88 1a7u s LEU 15 Ca 0.04 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 1a7u s LEU 15 Cb -0.12 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 44.15 1a7u s LEU 15 CO 0.02 0.36 1.00 -0.47 0.23 0.00 0.00 176.35 177.49 1a7u s TYR 16 N -0.77 3.79 0.17 0.29 5.04 -1.26 -1.40 117.35 123.21 1a7u s TYR 16 Ca 0.12 1.77 -0.07 0.00 -2.44 0.00 0.00 57.07 56.45 1a7u s TYR 16 Cb -0.12 -3.11 -0.02 0.00 0.35 0.00 0.00 41.96 39.07 1a7u s TYR 16 CO 0.02 -0.00 0.24 1.52 -1.34 0.00 0.00 175.55 176.00 1a7u s TYR 17 N -0.51 0.55 0.11 4.97 1.13 -0.09 -1.09 117.35 122.41 1a7u s TYR 17 Ca 0.46 -0.90 0.02 0.00 -1.41 0.00 0.00 57.07 55.24 1a7u s TYR 17 Cb -0.26 -0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 40.39 1a7u s TYR 17 CO 0.33 -0.70 -0.07 -1.21 -2.51 0.00 0.00 175.55 171.39 1a7u s GLU 18 N -4.00 0.87 -0.25 -3.49 2.02 -0.35 -3.40 118.70 110.10 1a7u s GLU 18 Ca 0.21 -1.33 -0.02 0.00 0.02 0.00 0.00 54.97 53.84 1a7u s GLU 18 Cb 0.04 -0.31 0.13 0.00 0.10 0.00 0.00 34.13 34.09 1a7u s GLU 18 CO 0.02 0.01 0.35 0.34 0.02 0.00 0.00 175.26 176.00 1a7u s ASP 19 N -3.00 0.61 0.04 -0.19 -1.08 -1.26 -2.18 116.67 109.61 1a7u s ASP 19 Ca 0.12 -0.05 0.06 0.00 -0.52 0.00 0.00 52.55 52.15 1a7u s ASP 19 Cb 0.04 0.93 -0.02 0.00 -1.46 0.00 0.00 42.92 42.41 1a7u s ASP 19 CO -0.03 -0.32 -0.17 -1.00 0.52 0.00 0.00 175.17 174.17 1a7u s HIS 20 N 2.49 1.46 0.00 -5.34 3.76 -0.46 -4.98 115.29 112.22 1a7u s HIS 20 Ca 0.11 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 1a7u s HIS 20 Cb -0.15 -0.87 0.00 0.00 1.11 0.00 0.00 32.58 32.67 1a7u s HIS 20 CO -0.20 0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.16 1a7u n GLY 21 N 1.89 -2.39 3.14 -2.22 0.00 -1.26 -0.26 105.19 104.09 1a7u n GLY 21 Ca -0.18 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.33 -0.47 0.00 4.61 0.00 -1.24 -4.72 121.76 118.61 1a7u s ALA 22 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1a7u s ALA 22 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1a7u s ALA 22 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1a7u n GLY 23 N 1.51 0.60 3.75 0.00 0.00 -1.26 -3.45 105.19 106.35 1a7u n GLY 23 Ca -0.22 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.78 4.19 0.08 1.61 0.74 -1.26 -3.98 119.66 120.25 1a7u s GLN 24 Ca 0.00 2.45 -0.30 0.00 0.05 0.00 0.00 55.36 57.56 1a7u s GLN 24 Cb 0.00 -3.05 -0.05 0.00 1.10 0.00 0.00 33.01 31.01 1a7u s GLN 24 CO 0.00 -0.50 1.08 -1.25 -0.55 0.00 0.00 175.29 174.06 1a7u s PRO 25 N -0.84 4.54 -0.15 1.67 0.04 -1.26 -1.68 135.00 137.33 1a7u s PRO 25 Ca 0.59 1.61 0.01 0.00 0.04 0.00 0.00 61.00 63.25 1a7u s PRO 25 Cb -0.45 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 30.74 1a7u s PRO 25 CO 0.49 -0.06 -0.17 0.08 0.04 0.00 0.00 177.00 177.39 1a7u s VAL 26 N 0.61 1.75 -0.23 -0.36 1.01 0.12 -1.04 120.40 122.26 1a7u s VAL 26 Ca 0.53 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 1a7u s VAL 26 Cb -0.26 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1a7u s VAL 26 CO 0.30 0.49 0.09 -0.69 0.00 0.00 0.00 175.10 175.29 1a7u s VAL 27 N 1.23 4.65 -0.15 2.92 1.01 0.10 -0.83 120.40 129.33 1a7u s VAL 27 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1a7u s VAL 27 Cb -0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1a7u s VAL 27 CO -0.08 0.36 -0.02 -0.76 0.00 0.00 0.00 175.10 174.61 1a7u s LEU 28 N 1.21 3.37 -0.25 3.92 1.43 -0.12 -0.56 118.68 127.68 1a7u s LEU 28 Ca 0.05 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1a7u s LEU 28 Cb -0.14 -1.81 0.06 0.00 0.03 0.00 0.00 46.19 44.33 1a7u s LEU 28 CO 0.04 0.19 -0.07 -0.63 0.23 0.00 0.00 176.35 176.11 1a7u s ILE 29 N 0.24 1.84 0.98 -0.59 1.01 -0.16 -3.92 121.20 120.60 1a7u s ILE 29 Ca -0.01 -1.47 -0.14 0.00 0.00 0.00 0.00 60.65 59.02 1a7u s ILE 29 Cb -0.14 -2.06 0.18 0.00 0.01 0.00 0.00 42.46 40.46 1a7u s ILE 29 CO 0.02 -0.11 1.17 -1.38 0.00 0.00 0.00 174.94 174.64 1a7u s HIS 30 N 1.24 1.92 0.56 3.97 -3.43 -1.26 -1.58 115.29 116.71 1a7u s HIS 30 Ca -0.06 0.68 0.07 0.00 -0.80 0.00 0.00 55.06 54.95 1a7u s HIS 30 Cb -0.19 -3.54 0.07 0.00 -1.43 0.00 0.00 32.58 27.49 1a7u s HIS 30 CO -0.06 -2.74 0.59 0.41 -2.00 0.00 0.00 174.74 170.94 1a7u n GLY 31 N -2.23 2.38 3.81 -1.38 0.00 -1.23 -3.27 105.19 103.28 1a7u n GLY 31 Ca 0.09 -2.27 -0.35 0.00 0.00 0.00 0.00 46.02 43.50 1a7u n GLY 31 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a7u s PHE 32 N -2.66 3.52 -0.63 1.61 2.19 -1.26 -1.48 117.98 119.28 1a7u s PHE 32 Ca 0.45 1.55 0.01 0.00 0.33 0.00 0.00 56.93 59.27 1a7u s PHE 32 Cb -0.04 -2.77 0.41 0.00 -1.31 0.00 0.00 43.02 39.32 1a7u s PHE 32 CO 0.28 0.13 1.71 -0.35 1.83 0.00 0.00 175.22 178.83 1a7u n PRO 33 N 0.11 3.01 0.00 10.12 -0.04 -1.26 -5.01 135.00 141.93 1a7u n PRO 33 Ca 0.03 -3.76 0.00 0.00 -0.04 0.00 0.00 63.50 59.73 1a7u n PRO 33 Cb 0.52 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 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 -0.66 0.00 0.00 1.53 4.77 -0.55 -3.84 117.00 118.25 1a7u n LEU 34 Ca 0.52 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.40 1a7u n LEU 34 Cb 0.56 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1a7u n LEU 34 CO 0.54 0.00 0.37 -1.54 -1.33 0.00 0.00 177.39 175.43 1a7u n SER 35 N 0.00 -1.81 0.29 -1.43 3.41 -1.26 -3.96 113.62 108.86 1a7u n SER 35 Ca 0.00 -2.56 0.16 0.00 -0.26 0.00 0.00 58.87 56.21 1a7u n SER 35 Cb 0.00 3.11 0.91 0.00 -0.26 0.00 0.00 64.21 67.96 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 1.82 0.00 2.00 5.00 0.00 -1.95 -2.06 103.07 107.88 1a7u h GLY 36 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1a7u h GLY 36 CO 0.37 0.00 0.00 0.45 0.00 0.00 0.00 176.54 177.36 1a7u h HIS 37 N 0.00 0.00 0.00 5.60 3.86 -1.96 -2.62 115.15 120.04 1a7u h HIS 37 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1a7u h HIS 37 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1a7u h HIS 37 CO 0.00 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.66 1a7u n SER 38 N -2.98 0.45 -0.87 2.45 3.41 -0.77 -1.69 113.62 113.62 1a7u n SER 38 Ca 0.00 0.70 0.05 0.00 -0.26 0.00 0.00 58.87 59.36 1a7u n SER 38 Cb 0.26 -0.76 0.17 0.00 -0.26 0.00 0.00 64.21 63.62 1a7u n SER 38 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1a7u n TRP 39 N -2.10 0.69 -0.05 7.33 7.02 -0.99 -4.60 117.44 124.75 1a7u n TRP 39 Ca -0.01 -0.28 0.14 0.00 -1.02 0.00 0.00 57.50 56.33 1a7u n TRP 39 Cb 0.05 -0.13 0.55 0.00 -2.42 0.00 0.00 31.31 29.36 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 1.96 0.29 0.00 -0.99 4.11 -1.56 0.34 114.58 118.73 1a7u h GLU 40 Ca 0.00 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.29 1a7u h GLU 40 Cb 0.79 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1a7u h GLU 40 CO 0.10 0.19 -0.59 0.00 0.07 0.00 0.00 179.01 178.78 1a7u h ARG 41 N 0.30 0.00 0.06 1.06 3.08 -1.88 -1.57 114.38 115.42 1a7u h ARG 41 Ca 0.26 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.04 1a7u h ARG 41 Cb 0.64 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.71 1a7u h ARG 41 CO -0.06 0.59 -1.12 1.96 -1.07 0.00 0.00 179.97 180.28 1a7u h GLN 42 N 0.00 0.65 -0.66 0.04 7.50 -1.09 -2.97 115.11 118.58 1a7u h GLN 42 Ca -0.01 -0.78 0.02 0.00 0.50 0.00 0.00 58.65 58.38 1a7u h GLN 42 Cb 1.16 0.24 -0.04 0.00 0.05 0.00 0.00 27.48 28.89 1a7u h GLN 42 CO 0.08 1.34 0.42 0.77 -1.50 0.00 0.00 178.83 179.94 1a7u h SER 43 N 0.31 0.71 -0.40 1.46 0.02 -0.40 0.17 113.55 115.42 1a7u h SER 43 Ca -0.16 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1a7u h SER 43 Cb 1.78 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 64.14 1a7u h SER 43 CO 0.22 0.50 0.25 0.00 -1.14 0.00 0.00 176.83 176.66 1a7u h ALA 44 N 1.27 0.51 -0.36 3.77 0.00 -1.35 -0.29 119.26 122.80 1a7u h ALA 44 Ca 0.25 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1a7u h ALA 44 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1a7u h ALA 44 CO -0.08 -0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.02 1a7u h ALA 45 N 1.12 1.07 -0.40 0.00 0.00 -1.20 -1.83 119.26 118.02 1a7u h ALA 45 Ca 0.14 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1a7u h ALA 45 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1a7u h ALA 45 CO -0.03 0.57 -0.22 -0.07 0.00 0.00 0.00 179.25 179.50 1a7u h LEU 46 N 0.59 0.89 -0.79 0.00 3.38 -0.36 -2.33 115.31 116.68 1a7u h LEU 46 Ca 0.10 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1a7u h LEU 46 Cb 0.59 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1a7u h LEU 46 CO 0.04 1.11 0.49 -0.07 0.09 0.00 0.00 178.44 180.10 1a7u h LEU 47 N 0.67 0.94 -2.11 1.67 3.38 -0.97 -1.84 115.31 117.05 1a7u h LEU 47 Ca 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1a7u h LEU 47 Cb 0.78 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1a7u h LEU 47 CO 0.06 0.72 -0.08 0.44 0.09 0.00 0.00 178.44 179.68 1a7u h ASP 48 N 1.09 0.00 -0.48 -0.43 3.32 -1.10 -2.20 116.42 116.62 1a7u h ASP 48 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1a7u h ASP 48 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1a7u h ASP 48 CO -0.06 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 1a7u n ALA 49 N -2.25 2.41 -0.95 3.45 0.00 -0.90 -4.98 120.51 117.30 1a7u n ALA 49 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1a7u n ALA 49 Cb 0.20 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.55 0.94 3.94 0.00 0.00 -0.83 -5.07 105.19 105.72 1a7u n GLY 50 Ca 0.21 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 3.39 -0.15 1.61 2.02 -0.73 -4.22 117.35 117.27 1a7u s TYR 51 Ca 0.00 -0.02 -0.16 0.00 -0.37 0.00 0.00 57.07 56.52 1a7u s TYR 51 Cb 0.00 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1a7u s TYR 51 CO 0.00 0.46 0.39 0.50 -1.57 0.00 0.00 175.55 175.34 1a7u s ARG 52 N -3.86 4.27 -0.16 -0.62 3.52 -0.68 -3.73 118.95 117.70 1a7u s ARG 52 Ca 0.34 0.27 -0.02 0.00 -0.13 0.00 0.00 55.73 56.18 1a7u s ARG 52 Cb -0.09 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 1a7u s ARG 52 CO 0.28 0.14 -0.08 0.08 -0.81 0.00 0.00 175.30 174.91 1a7u s VAL 53 N 0.73 3.37 -0.15 7.11 1.01 0.64 -0.70 120.40 132.41 1a7u s VAL 53 Ca 0.21 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1a7u s VAL 53 Cb -0.14 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 1a7u s VAL 53 CO 0.07 0.49 -0.16 -0.63 0.00 0.00 0.00 175.10 174.87 1a7u s ILE 54 N 0.65 2.58 0.13 2.22 1.01 -0.01 -1.36 121.20 126.42 1a7u s ILE 54 Ca -0.05 -0.80 0.09 0.00 0.00 0.00 0.00 60.65 59.89 1a7u s ILE 54 Cb -0.15 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1a7u s ILE 54 CO 0.02 0.52 -0.21 0.42 0.00 0.00 0.00 174.94 175.70 1a7u s THR 55 N 0.78 1.81 0.13 2.92 -4.23 -0.93 -0.95 115.64 115.17 1a7u s THR 55 Ca -0.06 -1.69 -0.09 0.00 -1.18 0.00 0.00 61.69 58.66 1a7u s THR 55 Cb -0.15 -1.70 -0.00 0.00 1.34 0.00 0.00 72.50 71.98 1a7u s THR 55 CO 0.00 -0.13 0.25 -0.72 -0.54 0.00 0.00 174.62 173.48 1a7u s TYR 56 N -1.45 0.25 -0.22 3.99 1.13 -1.25 -1.21 117.35 118.59 1a7u s TYR 56 Ca 0.10 -0.64 -0.08 0.00 -1.41 0.00 0.00 57.07 55.04 1a7u s TYR 56 Cb -0.09 -0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.70 1a7u s TYR 56 CO 0.05 -0.64 0.10 -0.51 -2.51 0.00 0.00 175.55 172.04 1a7u s ASP 57 N -2.91 5.67 0.68 -0.18 1.01 -0.25 -3.93 116.67 116.75 1a7u s ASP 57 Ca 0.11 0.02 -0.17 0.00 0.71 0.00 0.00 52.55 53.22 1a7u s ASP 57 Cb 0.04 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 41.96 1a7u s ASP 57 CO -0.06 0.08 1.11 -1.14 0.21 0.00 0.00 175.17 175.37 1a7u n ARG 58 N 4.17 0.79 -1.64 8.23 0.63 -1.26 -4.39 116.66 123.18 1a7u n ARG 58 Ca -0.16 0.32 -0.45 0.00 -0.92 0.00 0.00 57.85 56.65 1a7u n ARG 58 Cb 0.52 -2.34 -0.02 0.00 0.45 0.00 0.00 32.46 31.07 1a7u n ARG 58 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1a7u n ARG 59 N -1.82 1.76 -0.28 -0.14 1.85 -1.26 -1.31 116.66 115.46 1a7u n ARG 59 Ca 0.14 0.62 0.00 0.00 -1.00 0.00 0.00 57.85 57.61 1a7u n ARG 59 Cb 0.49 -2.15 0.00 0.00 -1.05 0.00 0.00 32.46 29.74 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 1.21 3.29 2.89 0.00 -0.01 -4.99 105.19 109.04 1a7u n GLY 60 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.83 1.52 0.00 1.61 0.08 -0.42 -0.53 117.98 117.40 1a7u s PHE 61 Ca 0.00 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.44 1a7u s PHE 61 Cb 0.00 -0.75 0.00 0.00 -0.57 0.00 0.00 43.02 41.70 1a7u s PHE 61 CO 0.00 0.23 0.00 0.41 -0.10 0.00 0.00 175.22 175.76 1a7u n GLY 62 N -0.04 3.43 1.35 4.36 0.00 -1.25 -1.61 105.19 111.44 1a7u n GLY 62 Ca -0.11 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 2.88 -1.80 1.61 6.02 -1.26 -4.63 117.38 134.20 1a7u n GLN 63 Ca 0.00 -2.67 -0.31 0.00 -0.01 0.00 0.00 57.00 54.01 1a7u n GLN 63 Cb 0.00 -1.60 0.04 0.00 1.02 0.00 0.00 30.24 29.70 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 -0.99 5.66 0.92 1.08 0.01 -0.63 -4.50 113.70 115.25 1a7u s SER 64 Ca 0.48 1.33 -0.13 0.00 1.31 0.00 0.00 55.95 58.95 1a7u s SER 64 Cb 0.26 -2.24 0.05 0.00 0.21 0.00 0.00 66.02 64.30 1a7u s SER 64 CO 0.31 -1.23 0.57 -1.20 0.41 0.00 0.00 173.24 172.10 1a7u n SER 65 N -2.96 -1.49 -3.50 2.44 7.64 0.10 -4.57 113.62 111.28 1a7u n SER 65 Ca 0.07 0.38 -0.27 0.00 1.01 0.00 0.00 58.87 60.05 1a7u n SER 65 Cb 0.55 -1.26 -0.09 0.00 -1.01 0.00 0.00 64.21 62.40 1a7u n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a7u n GLN 66 N -2.07 2.34 -1.33 1.43 6.02 -1.26 -0.83 117.38 121.68 1a7u n GLN 66 Ca 0.08 -4.59 -0.30 0.00 -0.01 0.00 0.00 57.00 52.19 1a7u n GLN 66 Cb 0.53 -2.22 0.12 0.00 1.02 0.00 0.00 30.24 29.68 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 -2.25 1.58 -0.34 -1.09 0.04 -1.26 -4.94 135.00 126.74 1a7u s PRO 67 Ca 0.37 0.77 0.07 0.00 0.04 0.00 0.00 61.00 62.26 1a7u s PRO 67 Cb 0.12 -1.85 0.56 0.00 0.04 0.00 0.00 34.50 33.37 1a7u s PRO 67 CO -0.04 -2.01 1.61 0.25 0.04 0.00 0.00 177.00 176.85 1a7u n THR 68 N -3.71 2.76 -4.08 1.26 -2.24 -1.26 -4.61 114.28 102.39 1a7u n THR 68 Ca 0.07 -2.47 -0.09 0.00 -2.27 0.00 0.00 64.05 59.29 1a7u n THR 68 Cb 0.55 -0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.32 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 -3.26 0.32 0.00 4.28 -4.23 -1.26 -4.96 115.64 106.53 1a7u s THR 69 Ca 0.49 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1a7u s THR 69 Cb 0.43 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 73.07 1a7u s THR 69 CO 0.03 -0.81 0.00 0.61 -0.54 0.00 0.00 174.62 173.91 1a7u n GLY 70 N 0.52 0.80 3.38 3.99 0.00 -1.26 -5.00 105.19 107.63 1a7u n GLY 70 Ca -0.17 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.80 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 3.85 0.03 1.61 2.02 -1.26 -4.48 117.35 117.11 1a7u s TYR 71 Ca 0.00 -2.26 -0.27 0.00 -0.37 0.00 0.00 57.07 54.16 1a7u s TYR 71 Cb 0.00 -4.01 0.09 0.00 -0.40 0.00 0.00 41.96 37.64 1a7u s TYR 71 CO 0.00 -1.13 0.75 0.16 -1.57 0.00 0.00 175.55 173.76 1a7u s ASP 72 N 2.14 -0.51 0.49 2.29 1.47 -1.26 -4.81 116.67 116.49 1a7u s ASP 72 Ca 0.31 0.21 0.29 0.00 1.18 0.00 0.00 52.55 54.54 1a7u s ASP 72 Cb -0.08 0.49 0.97 0.00 -0.34 0.00 0.00 42.92 43.96 1a7u s ASP 72 CO -0.06 -0.71 1.84 1.88 0.68 0.00 0.00 175.17 178.79 1a7u h TYR 73 N 2.29 0.00 -0.46 2.11 0.05 -1.92 -0.38 116.97 118.66 1a7u h TYR 73 Ca -0.27 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.37 1a7u h TYR 73 Cb 1.23 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.96 1a7u h TYR 73 CO 0.28 0.06 -0.25 -0.44 -1.05 0.00 0.00 178.16 176.76 1a7u h ASP 74 N 0.00 1.01 -0.32 3.88 3.32 -1.97 -0.62 116.42 121.72 1a7u h ASP 74 Ca -0.00 -0.40 -0.07 0.00 0.02 0.00 0.00 57.03 56.58 1a7u h ASP 74 Cb 0.72 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1a7u h ASP 74 CO 0.01 1.20 -0.09 0.74 -1.72 0.00 0.00 179.24 179.37 1a7u h THR 75 N 0.84 1.28 -0.76 0.35 2.02 -1.73 -0.90 112.91 114.01 1a7u h THR 75 Ca 0.10 -1.15 0.01 0.00 0.77 0.00 0.00 66.41 66.14 1a7u h THR 75 Cb 0.83 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 1a7u h THR 75 CO 0.07 0.37 0.51 -0.26 0.37 0.00 0.00 175.52 176.58 1a7u h PHE 76 N 0.40 0.96 0.00 3.16 0.04 -1.00 0.70 116.94 121.20 1a7u h PHE 76 Ca 0.08 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.73 1a7u h PHE 76 Cb 0.59 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1a7u h PHE 76 CO 0.05 0.61 -0.68 0.00 -0.60 0.00 0.00 178.31 177.69 1a7u h ALA 77 N 1.52 0.81 -0.26 2.45 0.00 -0.96 -2.08 119.26 120.76 1a7u h ALA 77 Ca 0.28 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1a7u h ALA 77 Cb -0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1a7u h ALA 77 CO -0.06 0.85 -0.36 0.00 0.00 0.00 0.00 179.25 179.67 1a7u h ALA 78 N 1.32 0.89 -0.50 0.00 0.00 -0.25 0.05 119.26 120.78 1a7u h ALA 78 Ca -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1a7u h ALA 78 Cb 1.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1a7u h ALA 78 CO 0.09 0.63 0.17 -0.44 0.00 0.00 0.00 179.25 179.70 1a7u h ASP 79 N 0.48 0.71 -0.74 0.00 3.32 -0.72 -1.24 116.42 118.23 1a7u h ASP 79 Ca 0.05 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 1a7u h ASP 79 Cb 0.85 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 1a7u h ASP 79 CO 0.07 0.71 0.24 0.25 -1.72 0.00 0.00 179.24 178.79 1a7u h LEU 80 N 0.67 1.06 -0.70 1.55 5.85 -1.04 -1.93 115.31 120.77 1a7u h LEU 80 Ca 0.16 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1a7u h LEU 80 Cb 0.24 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1a7u h LEU 80 CO -0.01 0.98 0.41 -1.13 -0.34 0.00 0.00 178.44 178.35 1a7u h ASN 81 N 1.08 0.63 -0.69 1.25 -1.24 -0.70 -0.80 115.58 115.10 1a7u h ASN 81 Ca 0.24 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 1a7u h ASN 81 Cb 0.29 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.20 1a7u h ASN 81 CO -0.01 0.41 0.38 0.74 -1.29 0.00 0.00 177.43 177.66 1a7u h THR 82 N 0.77 1.22 -0.12 -3.57 2.02 -0.84 0.07 112.91 112.45 1a7u h THR 82 Ca 0.31 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1a7u h THR 82 Cb 0.15 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1a7u h THR 82 CO -0.16 0.24 0.07 0.58 0.37 0.00 0.00 175.52 176.62 1a7u h VAL 83 N 0.95 1.07 -0.52 3.16 2.07 -0.55 -0.69 116.25 121.74 1a7u h VAL 83 Ca 0.24 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 1a7u h VAL 83 Cb 0.04 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1a7u h VAL 83 CO -0.04 0.06 0.10 -0.07 0.02 0.00 0.00 177.57 177.64 1a7u h LEU 84 N 0.13 0.76 -0.36 2.57 3.38 -0.83 -2.11 115.31 118.85 1a7u h LEU 84 Ca 0.04 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 1a7u h LEU 84 Cb 0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1a7u h LEU 84 CO -0.01 0.77 -0.76 -0.33 0.09 0.00 0.00 178.44 178.20 1a7u h GLU 85 N 0.78 0.42 -0.51 1.13 4.39 -0.88 -0.92 114.58 118.99 1a7u h GLU 85 Ca 0.17 -0.36 -0.07 0.00 0.34 0.00 0.00 59.36 59.44 1a7u h GLU 85 Cb 0.33 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1a7u h GLU 85 CO 0.00 1.00 0.03 1.15 -1.16 0.00 0.00 179.01 180.03 1a7u h THR 86 N 0.28 1.26 0.00 1.13 2.02 -0.92 -2.67 112.91 114.02 1a7u h THR 86 Ca -0.04 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.11 1a7u h THR 86 Cb 1.34 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1a7u h THR 86 CO 0.13 0.37 -0.08 0.18 0.37 0.00 0.00 175.52 176.49 1a7u n LEU 87 N -4.34 0.63 -3.72 2.58 4.77 -0.81 -4.95 117.00 111.15 1a7u n LEU 87 Ca 0.01 0.51 -0.22 0.00 -0.03 0.00 0.00 56.01 56.28 1a7u n LEU 87 Cb 0.30 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1a7u n LEU 87 CO 0.42 -0.12 -0.09 -0.67 -1.33 0.00 0.00 177.39 175.60 1a7u n ASP 88 N -2.07 -1.31 -4.77 -1.43 2.03 -0.38 -4.93 116.55 103.69 1a7u n ASP 88 Ca 0.06 -0.85 -0.38 0.00 0.52 0.00 0.00 54.79 54.14 1a7u n ASP 88 Cb 0.41 -3.93 -0.06 0.00 -0.72 0.00 0.00 41.12 36.83 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 -6.67 4.39 0.08 -2.67 1.43 -1.04 -5.06 118.68 109.14 1a7u s LEU 89 Ca 0.03 1.93 0.06 0.00 -1.03 0.00 0.00 54.13 55.12 1a7u s LEU 89 Cb -0.01 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.26 1a7u s LEU 89 CO 0.82 -0.10 -0.16 -1.58 0.23 0.00 0.00 176.35 175.57 1a7u s GLN 90 N -1.89 0.90 -1.47 1.70 2.00 -1.26 -4.78 119.66 114.85 1a7u s GLN 90 Ca 0.49 -1.01 -0.10 0.00 -2.00 0.00 0.00 55.36 52.74 1a7u s GLN 90 Cb -0.22 -0.97 0.06 0.00 0.80 0.00 0.00 33.01 32.68 1a7u s GLN 90 CO 0.28 0.22 0.89 -0.25 -0.50 0.00 0.00 175.29 175.93 1a7u n ASP 91 N 1.22 -3.69 -4.90 6.67 9.92 -0.94 -4.69 116.55 120.13 1a7u n ASP 91 Ca -0.21 -0.80 -0.28 0.00 -0.53 0.00 0.00 54.79 52.97 1a7u n ASP 91 Cb 0.54 -3.90 -0.02 0.00 -0.64 0.00 0.00 41.12 37.10 1a7u n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a7u s ALA 92 N -3.42 3.51 -0.18 2.24 0.00 -0.24 -4.46 121.76 119.20 1a7u s ALA 92 Ca 0.47 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 1a7u s ALA 92 Cb -0.23 -2.45 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 1a7u s ALA 92 CO 0.83 -0.01 -0.02 0.08 0.00 0.00 0.00 175.76 176.64 1a7u s VAL 93 N -2.36 3.85 -0.19 0.00 1.01 -0.21 -0.15 120.40 122.36 1a7u s VAL 93 Ca 0.46 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1a7u s VAL 93 Cb -0.10 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1a7u s VAL 93 CO 0.35 0.46 0.11 -0.76 0.00 0.00 0.00 175.10 175.25 1a7u s LEU 94 N 0.76 4.08 -0.16 3.92 1.43 -0.79 -0.72 118.68 127.18 1a7u s LEU 94 Ca -0.01 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1a7u s LEU 94 Cb -0.14 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1a7u s LEU 94 CO 0.02 0.19 -0.16 -0.69 0.23 0.00 0.00 176.35 175.94 1a7u s VAL 95 N 0.31 1.77 0.07 -1.59 1.01 0.28 -0.76 120.40 121.49 1a7u s VAL 95 Ca 0.07 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1a7u s VAL 95 Cb -0.11 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1a7u s VAL 95 CO -0.01 0.47 -0.08 -0.83 0.00 0.00 0.00 175.10 174.65 1a7u s GLY 96 N 1.40 1.79 -0.09 4.51 0.00 -0.42 -0.98 107.32 113.52 1a7u s GLY 96 Ca 0.04 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.62 1a7u s GLY 96 CO -0.11 -1.11 -0.17 -0.12 0.00 0.00 0.00 173.10 171.59 1a7u s PHE 97 N -1.16 1.96 0.00 1.90 5.36 -0.61 -0.94 117.98 124.49 1a7u s PHE 97 Ca 0.21 -0.84 0.00 0.00 -0.96 0.00 0.00 56.93 55.34 1a7u s PHE 97 Cb -0.11 -1.39 0.00 0.00 -0.34 0.00 0.00 43.02 41.18 1a7u s PHE 97 CO 0.13 -0.40 0.00 0.45 -1.46 0.00 0.00 175.22 173.94 1a7u n SER 98 N 3.90 0.00 -0.23 6.13 2.88 -0.40 -0.94 113.62 124.97 1a7u n SER 98 Ca -0.20 0.00 0.24 0.00 -1.33 0.00 0.00 58.87 57.57 1a7u n SER 98 Cb 0.52 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.58 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 0.22 0.00 -1.46 2.86 -1.85 0.28 114.93 114.99 1a7u h MET 99 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1a7u h MET 99 Cb 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1a7u h MET 99 CO 0.00 0.15 0.00 0.78 1.06 0.00 0.00 176.91 178.90 1a7u h GLY 100 N 0.23 0.00 2.00 8.32 0.00 -1.02 -1.03 103.07 111.57 1a7u h GLY 100 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1a7u h GLY 100 CO -0.12 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.51 1a7u h THR 101 N 0.00 0.00 -0.08 4.70 1.35 -1.08 -2.73 112.91 115.08 1a7u h THR 101 Ca 0.00 -0.54 -0.22 0.00 -0.55 0.00 0.00 66.41 65.09 1a7u h THR 101 Cb 0.16 1.52 0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1a7u h THR 101 CO 0.00 0.00 -0.83 1.23 -0.25 0.00 0.00 175.52 175.67 1a7u h GLY 102 N 2.33 0.77 0.98 5.82 0.00 -1.33 -2.85 103.07 108.80 1a7u h GLY 102 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 47.33 46.13 1a7u h GLY 102 CO 0.00 1.07 0.46 0.83 0.00 0.00 0.00 176.54 178.90 1a7u h GLU 103 N 0.38 0.91 0.15 4.80 3.07 -1.59 -1.12 114.58 121.17 1a7u h GLU 103 Ca -0.08 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 1a7u h GLU 103 Cb 1.48 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1a7u h GLU 103 CO 0.17 0.60 -0.08 0.28 -1.40 0.00 0.00 179.01 178.58 1a7u h VAL 104 N 0.93 0.84 -0.21 3.13 2.07 -1.46 0.16 116.25 121.73 1a7u h VAL 104 Ca 0.26 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 1a7u h VAL 104 Cb -0.09 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1a7u h VAL 104 CO -0.06 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.61 1a7u h ALA 105 N 0.65 0.27 -0.13 1.67 0.00 -1.36 -1.90 119.26 118.46 1a7u h ALA 105 Ca -0.02 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1a7u h ALA 105 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1a7u h ALA 105 CO 0.03 -0.16 -0.49 -0.09 0.00 0.00 0.00 179.25 178.54 1a7u h ARG 106 N 0.19 0.34 -0.14 0.00 9.65 -1.17 -1.62 114.38 121.62 1a7u h ARG 106 Ca 0.07 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 1a7u h ARG 106 Cb 0.15 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 1a7u h ARG 106 CO -0.01 0.76 0.05 -0.92 2.80 0.00 0.00 179.97 182.65 1a7u h TYR 107 N 0.27 0.21 -0.59 2.20 3.20 -0.87 -0.98 116.97 120.41 1a7u h TYR 107 Ca 0.01 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1a7u h TYR 107 Cb 0.96 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 1a7u h TYR 107 CO 0.02 0.30 0.26 0.28 -1.64 0.00 0.00 178.16 177.38 1a7u h VAL 108 N 0.06 1.20 -0.28 1.81 2.07 -1.23 0.25 116.25 120.12 1a7u h VAL 108 Ca 0.04 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 1a7u h VAL 108 Cb 0.18 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1a7u h VAL 108 CO -0.00 0.24 -0.14 -1.28 0.02 0.00 0.00 177.57 176.41 1a7u h SER 109 N 0.83 0.61 0.51 0.57 0.87 -1.15 -0.82 113.55 114.97 1a7u h SER 109 Ca 0.20 -0.41 -0.29 0.00 -1.23 0.00 0.00 61.79 60.06 1a7u h SER 109 Cb 0.12 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1a7u h SER 109 CO -0.02 0.88 -1.50 0.28 -0.53 0.00 0.00 176.83 175.94 1a7u h SER 110 N 0.34 0.29 0.00 6.23 0.02 -1.00 -3.40 113.55 116.02 1a7u h SER 110 Ca 0.06 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1a7u h SER 110 Cb 0.65 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1a7u h SER 110 CO 0.04 1.35 -0.94 -1.22 -1.14 0.00 0.00 176.83 174.92 1a7u n TYR 111 N -3.39 0.00 -0.56 3.45 4.01 0.85 -5.09 117.16 116.44 1a7u n TYR 111 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1a7u n TYR 111 Cb 1.03 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 1a7u n TYR 111 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a7u n GLY 112 N 1.67 -2.90 0.53 2.72 0.00 -0.31 -4.72 105.19 102.18 1a7u n GLY 112 Ca -0.00 -1.78 0.06 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.42 2.17 -0.28 2.61 -2.24 -1.26 -4.59 114.28 110.27 1a7u n THR 113 Ca 0.00 -3.01 0.08 0.00 -2.27 0.00 0.00 64.05 58.85 1a7u n THR 113 Cb 0.00 -0.24 0.31 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.81 1.66 -0.40 6.98 0.00 -1.99 -1.33 119.26 125.00 1a7u h ALA 114 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a7u h ALA 114 Cb 1.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1a7u h ALA 114 CO 0.03 0.16 0.00 0.54 0.00 0.00 0.00 179.25 179.97 1a7u n ARG 115 N -4.53 2.17 -5.16 0.00 1.74 -1.26 -4.75 116.66 104.87 1a7u n ARG 115 Ca 0.15 -1.80 -0.31 0.00 -0.77 0.00 0.00 57.85 55.13 1a7u n ARG 115 Cb 0.32 -1.44 -0.17 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.48 1.94 -0.20 0.55 -1.09 -0.50 -1.08 121.20 119.33 1a7u s ILE 116 Ca 0.36 -0.98 0.06 0.00 -2.23 0.00 0.00 60.65 57.85 1a7u s ILE 116 Cb 0.19 -1.66 -0.21 0.00 -1.58 0.00 0.00 42.46 39.20 1a7u s ILE 116 CO 0.27 0.54 0.02 0.00 -1.23 0.00 0.00 174.94 174.54 1a7u n ALA 117 N 3.24 1.37 -2.89 9.38 0.00 0.79 -4.78 120.51 127.61 1a7u n ALA 117 Ca -0.18 -1.06 -0.10 0.00 0.00 0.00 0.00 53.44 52.10 1a7u n ALA 117 Cb 0.52 -0.28 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.53 1.01 0.10 0.00 1.02 -1.22 -4.14 119.74 113.99 1a7u s LYS 118 Ca -0.24 -0.76 0.04 0.00 0.02 0.00 0.00 55.97 55.03 1a7u s LYS 118 Cb 0.08 0.44 -0.04 0.00 -0.52 0.00 0.00 37.83 37.79 1a7u s LYS 118 CO 0.71 -0.38 -0.10 0.14 -0.92 0.00 0.00 175.35 174.80 1a7u s VAL 119 N -3.79 0.97 -0.00 3.17 -7.23 -0.54 -1.88 120.40 111.09 1a7u s VAL 119 Ca 0.03 -1.72 -0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1a7u s VAL 119 Cb 0.03 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1a7u s VAL 119 CO -0.12 -0.60 0.01 0.00 -0.31 0.00 0.00 175.10 174.08 1a7u s ALA 120 N -2.63 -0.01 -0.20 1.32 0.00 0.06 -1.87 121.76 118.43 1a7u s ALA 120 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1a7u s ALA 120 Cb -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.14 1a7u s ALA 120 CO -0.00 -0.01 -0.12 -0.06 0.00 0.00 0.00 175.76 175.57 1a7u s PHE 121 N -0.03 2.53 -0.16 0.00 0.08 0.68 -1.30 117.98 119.78 1a7u s PHE 121 Ca -0.00 -1.63 -0.01 0.00 0.12 0.00 0.00 56.93 55.41 1a7u s PHE 121 Cb -0.00 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.74 1a7u s PHE 121 CO -0.00 -0.76 -0.13 -0.51 -0.10 0.00 0.00 175.22 173.72 1a7u s LEU 122 N 1.36 2.63 -1.09 -0.37 1.43 -0.12 -1.10 118.68 121.42 1a7u s LEU 122 Ca -0.00 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1a7u s LEU 122 Cb -0.16 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 1a7u s LEU 122 CO -0.09 0.10 0.89 0.00 0.23 0.00 0.00 176.35 177.48 1a7u n ALA 123 N 3.98 -2.44 -1.79 4.21 0.00 -0.47 -1.27 120.51 122.74 1a7u n ALA 123 Ca -0.19 0.04 -0.35 0.00 0.00 0.00 0.00 53.44 52.94 1a7u n ALA 123 Cb 0.52 -5.01 -0.04 0.00 0.00 0.00 0.00 19.45 14.92 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 -3.54 6.55 0.13 0.00 0.01 -1.26 -2.12 113.70 113.47 1a7u s SER 124 Ca 0.40 1.98 0.05 0.00 1.31 0.00 0.00 55.95 59.68 1a7u s SER 124 Cb -0.07 -2.57 -0.16 0.00 0.21 0.00 0.00 66.02 63.43 1a7u s SER 124 CO 0.77 -0.63 1.29 -0.07 0.41 0.00 0.00 173.24 175.00 1a7u h LEU 125 N 2.02 0.10-10.25 2.44 3.38 -1.91 -3.43 115.31 107.66 1a7u h LEU 125 Ca -0.49 -0.10 -0.52 0.00 0.09 0.00 0.00 57.88 56.85 1a7u h LEU 125 Cb 1.22 -0.03 0.19 0.00 0.09 0.00 0.00 40.66 42.12 1a7u h LEU 125 CO 0.61 1.03 0.27 -1.61 0.09 0.00 0.00 178.44 178.83 1a7u s GLU 126 N -2.83 1.26 0.11 1.13 8.01 -1.26 -3.82 118.70 121.31 1a7u s GLU 126 Ca -0.00 1.61 0.12 0.00 0.01 0.00 0.00 54.97 56.71 1a7u s GLU 126 Cb 0.10 -1.75 -0.13 0.00 -4.31 0.00 0.00 34.13 28.04 1a7u s GLU 126 CO 0.83 -2.46 1.09 -1.35 0.01 0.00 0.00 175.26 173.38 1a7u h PRO 127 N -1.52 0.00 -0.25 0.39 0.11 -1.80 -3.39 132.00 125.54 1a7u h PRO 127 Ca -0.44 0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.92 1a7u h PRO 127 Cb 1.28 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.18 1a7u h PRO 127 CO 0.43 0.62 0.15 0.12 -0.21 0.00 0.00 178.00 179.11 1a7u s PHE 128 N -2.79 -0.41 0.04 0.65 5.36 -1.25 -1.31 117.98 118.27 1a7u s PHE 128 Ca -0.00 0.39 0.28 0.00 -0.96 0.00 0.00 56.93 56.64 1a7u s PHE 128 Cb 0.09 0.13 1.04 0.00 -0.34 0.00 0.00 43.02 43.94 1a7u s PHE 128 CO 0.80 -0.23 1.87 -0.07 -1.46 0.00 0.00 175.22 176.13 1a7u h LEU 129 N 7.85 0.00 -9.51 6.12 3.38 -1.79 -3.40 115.31 117.96 1a7u h LEU 129 Ca -0.12 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.32 1a7u h LEU 129 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1a7u h LEU 129 CO -0.13 0.09 0.55 -0.22 0.09 0.00 0.00 178.44 178.82 1a7u s LEU 130 N -6.41 4.39 -0.41 1.67 2.96 -1.26 -0.36 118.68 119.26 1a7u s LEU 130 Ca 0.02 2.04 -0.26 0.00 -0.22 0.00 0.00 54.13 55.70 1a7u s LEU 130 Cb 0.09 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.22 1a7u s LEU 130 CO 0.60 -0.44 0.95 -0.75 -1.32 0.00 0.00 176.35 175.39 1a7u s LYS 131 N 0.82 3.74 0.36 1.98 2.20 -0.31 -4.06 119.74 124.48 1a7u s LYS 131 Ca 0.57 0.46 0.06 0.00 -0.36 0.00 0.00 55.97 56.71 1a7u s LYS 131 Cb -0.30 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.15 1a7u s LYS 131 CO 0.30 -1.07 0.22 0.95 -0.36 0.00 0.00 175.35 175.39 1a7u s THR 132 N 3.66 0.21 0.29 3.43 -4.23 -0.98 -4.47 115.64 113.56 1a7u s THR 132 Ca 0.39 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1a7u s THR 132 Cb -0.11 -2.43 0.09 0.00 1.34 0.00 0.00 72.50 71.39 1a7u s THR 132 CO 0.22 0.00 1.75 0.44 -0.54 0.00 0.00 174.62 176.50 1a7u h ASP 133 N 2.00 0.48 -0.10 3.99 3.32 -2.01 -2.19 116.42 121.91 1a7u h ASP 133 Ca -0.29 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1a7u h ASP 133 Cb 1.25 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1a7u h ASP 133 CO 0.44 0.69 0.00 -0.90 -1.72 0.00 0.00 179.24 177.75 1a7u n ASP 134 N -4.15 2.03 -3.20 6.45 5.75 -1.26 -4.44 116.55 117.73 1a7u n ASP 134 Ca 0.00 -1.70 -0.24 0.00 -0.01 0.00 0.00 54.79 52.84 1a7u n ASP 134 Cb 0.37 -0.05 -0.07 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.57 -0.11 0.05 -1.12 5.15 -0.83 -4.96 115.26 114.01 1a7u n ASN 135 Ca 0.17 -2.66 0.06 0.00 -0.60 0.00 0.00 54.58 51.55 1a7u n ASN 135 Cb 0.42 -0.50 0.29 0.00 -0.53 0.00 0.00 39.78 39.46 1a7u n ASN 135 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1a7u n PRO 136 N 1.68 0.06 0.00 1.20 -0.04 -1.16 -2.14 135.00 134.59 1a7u n PRO 136 Ca 0.22 0.43 0.14 0.00 -0.04 0.00 0.00 63.50 64.26 1a7u n PRO 136 Cb 0.53 -1.65 0.59 0.00 -0.04 0.00 0.00 33.50 32.93 1a7u n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1a7u n ASP 137 N -1.76 0.72 -4.69 3.54 8.00 -1.26 -4.92 116.55 116.18 1a7u n ASP 137 Ca 0.01 -0.86 -0.31 0.00 0.71 0.00 0.00 54.79 54.35 1a7u n ASP 137 Cb 0.10 -0.01 0.15 0.00 -0.02 0.00 0.00 41.12 41.34 1a7u n ASP 137 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1a7u s GLY 138 N -2.34 1.66 0.05 0.44 0.00 -0.91 -4.57 107.32 101.65 1a7u s GLY 138 Ca 0.32 0.31 -0.11 0.00 0.00 0.00 0.00 44.72 45.24 1a7u s GLY 138 CO 0.45 0.75 1.05 0.00 0.00 0.00 0.00 173.10 175.35 1a7u h ALA 139 N -1.69 -0.06 -2.62 3.20 0.00 -0.96 -3.40 119.26 113.74 1a7u h ALA 139 Ca -0.46 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 53.54 1a7u h ALA 139 Cb 1.27 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 19.03 1a7u h ALA 139 CO 0.47 0.81 0.21 0.00 0.00 0.00 0.00 179.25 180.74 1a7u s ALA 140 N -2.62 -1.67 0.92 0.00 0.00 -1.17 -4.91 121.76 112.32 1a7u s ALA 140 Ca -0.07 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 1a7u s ALA 140 Cb 0.05 0.55 0.14 0.00 0.00 0.00 0.00 23.12 23.87 1a7u s ALA 140 CO 0.92 -0.62 1.09 -1.25 0.00 0.00 0.00 175.76 175.90 1a7u s PRO 141 N -2.79 1.08 0.43 0.00 0.04 -1.26 -1.16 135.00 131.34 1a7u s PRO 141 Ca -0.03 0.89 0.09 0.00 0.04 0.00 0.00 61.00 61.99 1a7u s PRO 141 Cb -0.01 -1.78 0.94 0.00 0.04 0.00 0.00 34.50 33.69 1a7u s PRO 141 CO -0.04 -2.38 2.07 -0.22 0.04 0.00 0.00 177.00 176.47 1a7u h LYS 142 N -1.66 0.43 -0.49 4.56 3.64 -1.97 -2.15 116.57 118.94 1a7u h LYS 142 Ca -0.50 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 58.95 1a7u h LYS 142 Cb 1.29 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1a7u h LYS 142 CO 0.53 0.29 0.33 0.93 -2.27 0.00 0.00 179.45 179.26 1a7u h GLU 143 N 0.44 0.23 -0.13 1.90 3.07 -1.99 0.12 114.58 118.22 1a7u h GLU 143 Ca 0.12 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1a7u h GLU 143 Cb -0.04 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1a7u h GLU 143 CO -0.02 0.15 0.08 0.35 -1.40 0.00 0.00 179.01 178.16 1a7u h PHE 144 N 0.23 0.18 -0.21 4.33 3.57 -1.75 -1.91 116.94 121.38 1a7u h PHE 144 Ca 0.23 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.59 1a7u h PHE 144 Cb 0.59 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1a7u h PHE 144 CO -0.00 0.16 -0.44 0.74 -2.23 0.00 0.00 178.31 176.54 1a7u h PHE 145 N 0.14 0.64 -0.69 0.41 0.04 -1.17 -2.64 116.94 113.67 1a7u h PHE 145 Ca 0.05 -0.20 0.07 0.00 2.80 0.00 0.00 57.97 60.69 1a7u h PHE 145 Cb 0.04 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 1a7u h PHE 145 CO -0.05 0.88 0.46 -0.44 -0.60 0.00 0.00 178.31 178.56 1a7u h ASP 146 N 0.43 0.61 0.22 2.17 3.32 -0.95 -1.06 116.42 121.16 1a7u h ASP 146 Ca 0.03 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1a7u h ASP 146 Cb 0.95 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1a7u h ASP 146 CO 0.08 0.39 -0.32 1.23 -1.72 0.00 0.00 179.24 178.91 1a7u h GLY 147 N 0.70 0.17 0.99 2.75 0.00 -0.97 -1.55 103.07 105.14 1a7u h GLY 147 Ca 0.30 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 47.33 1a7u h GLY 147 CO -0.10 0.12 -0.54 -2.22 0.00 0.00 0.00 176.54 173.80 1a7u h ILE 148 N 0.14 1.33 -0.35 2.60 2.04 -1.09 -1.93 117.51 120.25 1a7u h ILE 148 Ca 0.02 -1.80 0.04 0.00 1.00 0.00 0.00 64.86 64.12 1a7u h ILE 148 Cb 0.64 2.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 1a7u h ILE 148 CO 0.05 0.56 0.12 0.58 0.00 0.00 0.00 178.15 179.45 1a7u h VAL 149 N 0.32 0.90 -0.80 1.67 2.07 -1.24 -1.19 116.25 117.98 1a7u h VAL 149 Ca -0.02 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1a7u h VAL 149 Cb 1.17 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1a7u h VAL 149 CO 0.12 0.05 0.51 0.00 0.02 0.00 0.00 177.57 178.27 1a7u h ALA 150 N 1.22 1.39 -0.51 1.67 0.00 -1.23 -0.91 119.26 120.90 1a7u h ALA 150 Ca 0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1a7u h ALA 150 Cb 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1a7u h ALA 150 CO -0.16 0.55 -0.07 0.00 0.00 0.00 0.00 179.25 179.56 1a7u h ALA 151 N 1.47 0.91 -0.31 0.00 0.00 -0.72 -1.43 119.26 119.18 1a7u h ALA 151 Ca 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1a7u h ALA 151 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1a7u h ALA 151 CO -0.06 0.64 0.08 0.28 0.00 0.00 0.00 179.25 180.18 1a7u h VAL 152 N 0.83 1.22 -0.13 0.00 2.07 -0.85 -2.76 116.25 116.63 1a7u h VAL 152 Ca 0.14 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1a7u h VAL 152 Cb 0.59 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1a7u h VAL 152 CO 0.04 0.24 -0.12 0.11 0.02 0.00 0.00 177.57 177.86 1a7u h LYS 153 N 0.35 0.19 -0.56 1.57 1.57 -1.00 -2.13 116.57 116.57 1a7u h LYS 153 Ca 0.10 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1a7u h LYS 153 Cb 0.29 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1a7u h LYS 153 CO 0.00 0.32 0.31 0.00 -0.57 0.00 0.00 179.45 179.51 1a7u h ALA 154 N 1.70 0.72 -0.29 3.86 0.00 -0.97 -3.43 119.26 120.84 1a7u h ALA 154 Ca 0.04 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1a7u h ALA 154 Cb 0.33 -0.22 -0.18 0.00 0.00 0.00 0.00 17.79 17.71 1a7u h ALA 154 CO 0.02 0.23 -0.07 0.34 0.00 0.00 0.00 179.25 179.77 1a7u s ASP 155 N -5.86 -0.47 0.37 0.00 -1.08 -1.14 -5.05 116.67 103.45 1a7u s ASP 155 Ca -0.13 -0.04 0.11 0.00 -0.52 0.00 0.00 52.55 51.97 1a7u s ASP 155 Cb 0.12 1.05 0.73 0.00 -1.46 0.00 0.00 42.92 43.37 1a7u s ASP 155 CO 0.76 -0.07 1.85 0.08 0.52 0.00 0.00 175.17 178.31 1a7u h ARG 156 N 6.69 0.09 -0.23 4.34 0.11 -1.61 -1.35 114.38 122.43 1a7u h ARG 156 Ca -0.07 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 59.96 1a7u h ARG 156 Cb 1.19 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1a7u h ARG 156 CO -0.07 0.38 0.03 1.88 0.10 0.00 0.00 179.97 182.29 1a7u h TYR 157 N 0.08 0.42 -0.17 4.08 0.05 -1.95 -2.05 116.97 117.43 1a7u h TYR 157 Ca 0.01 -0.06 -0.13 0.00 0.05 0.00 0.00 58.73 58.60 1a7u h TYR 157 Cb 0.57 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1a7u h TYR 157 CO 0.00 0.52 -0.46 0.00 -1.05 0.00 0.00 178.16 177.18 1a7u h ALA 158 N 0.84 0.90 -0.77 3.88 0.00 -1.94 -3.09 119.26 119.09 1a7u h ALA 158 Ca 0.07 -0.46 0.10 0.00 0.00 0.00 0.00 54.91 54.62 1a7u h ALA 158 Cb 0.33 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1a7u h ALA 158 CO 0.01 0.65 0.40 0.35 0.00 0.00 0.00 179.25 180.66 1a7u h PHE 159 N 0.35 0.72 -0.37 0.00 3.57 -1.03 -2.45 116.94 117.74 1a7u h PHE 159 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1a7u h PHE 159 Cb 0.94 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1a7u h PHE 159 CO 0.03 0.26 0.08 1.88 -2.23 0.00 0.00 178.31 178.33 1a7u h TYR 160 N 0.67 0.56 -0.13 0.41 0.05 -1.29 -0.49 116.97 116.75 1a7u h TYR 160 Ca 0.38 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.12 1a7u h TYR 160 Cb 0.41 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1a7u h TYR 160 CO -0.09 0.49 0.09 1.15 -1.05 0.00 0.00 178.16 178.75 1a7u h THR 161 N 0.54 1.04 -0.32 -2.88 2.02 -1.53 0.44 112.91 112.22 1a7u h THR 161 Ca 0.12 -0.07 -0.13 0.00 0.77 0.00 0.00 66.41 67.10 1a7u h THR 161 Cb 0.23 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1a7u h THR 161 CO -0.00 0.03 -0.33 1.23 0.37 0.00 0.00 175.52 176.82 1a7u h GLY 162 N 0.18 0.77 0.98 2.16 0.00 -1.45 -2.72 103.07 102.99 1a7u h GLY 162 Ca 0.05 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1a7u h GLY 162 CO -0.01 0.66 0.14 -2.75 0.00 0.00 0.00 176.54 174.58 1a7u h PHE 163 N 0.60 0.30 0.00 5.60 3.57 -0.77 -2.90 116.94 123.34 1a7u h PHE 163 Ca 0.06 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1a7u h PHE 163 Cb 0.85 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1a7u h PHE 163 CO 0.04 0.22 -0.19 0.74 -2.23 0.00 0.00 178.31 176.90 1a7u h PHE 164 N 0.29 0.00 -0.62 0.41 0.04 -0.78 -0.28 116.94 115.99 1a7u h PHE 164 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1a7u h PHE 164 Cb 0.01 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 1a7u h PHE 164 CO -0.05 0.19 0.36 -0.97 -0.60 0.00 0.00 178.31 177.23 1a7u h ASN 165 N 0.00 0.77 1.33 2.17 -0.73 -1.28 -2.05 115.58 115.79 1a7u h ASN 165 Ca -0.00 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.09 1a7u h ASN 165 Cb 0.67 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1a7u h ASN 165 CO 0.02 0.62 -0.63 0.44 -0.37 0.00 0.00 177.43 177.52 1a7u h ASP 166 N 0.85 0.00 -0.39 1.15 3.32 -1.44 -1.55 116.42 118.36 1a7u h ASP 166 Ca 0.22 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 1a7u h ASP 166 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1a7u h ASP 166 CO -0.04 0.01 -0.38 0.15 -1.72 0.00 0.00 179.24 177.26 1a7u h PHE 167 N 0.00 1.13 -0.11 4.55 3.57 -0.81 -3.24 116.94 122.03 1a7u h PHE 167 Ca 0.00 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1a7u h PHE 167 Cb 0.98 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1a7u h PHE 167 CO 0.00 1.17 0.00 0.66 -2.23 0.00 0.00 178.31 177.91 1a7u n TYR 168 N -4.07 0.12 -3.67 0.41 4.01 -0.79 0.08 117.16 113.25 1a7u n TYR 168 Ca -0.02 -0.06 -0.31 0.00 -0.16 0.00 0.00 57.90 57.34 1a7u n TYR 168 Cb 0.54 -0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.62 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 1.29 -5.32 0.23 7.72 4.13 -0.94 -4.55 115.26 117.82 1a7u n ASN 169 Ca 0.14 -1.01 0.08 0.00 1.68 0.00 0.00 54.58 55.47 1a7u n ASN 169 Cb 0.56 -3.43 0.55 0.00 -1.54 0.00 0.00 39.78 35.92 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 -1.88 0.00 -1.99 3.41 3.38 -1.54 0.89 115.31 117.58 1a7u h LEU 170 Ca -0.66 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 1a7u h LEU 170 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1a7u h LEU 170 CO 0.48 0.21 -0.00 -2.24 0.09 0.00 0.00 178.44 176.98 1a7u h ASP 171 N 0.00 0.00 0.10 -0.43 2.03 -1.89 -1.54 116.42 114.70 1a7u h ASP 171 Ca -0.00 -0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.93 1a7u h ASP 171 Cb 0.43 -0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.90 1a7u h ASP 171 CO 0.03 0.01 -2.14 -0.62 -1.03 0.00 0.00 179.24 175.48 1a7u n GLU 172 N -4.54 0.72 -0.00 4.15 1.02 -0.18 -4.75 120.64 117.07 1a7u n GLU 172 Ca -0.03 0.22 0.08 0.00 -0.02 0.00 0.00 57.16 57.41 1a7u n GLU 172 Cb 0.09 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 29.76 1a7u n GLU 172 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1a7u n ASN 173 N -3.39 0.89 -4.72 1.62 3.02 0.13 -4.87 115.26 107.94 1a7u n ASN 173 Ca -0.36 -0.64 -0.42 0.00 -0.03 0.00 0.00 54.58 53.14 1a7u n ASN 173 Cb 1.03 1.20 -0.03 0.00 -0.61 0.00 0.00 39.78 41.37 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 -3.12 4.37 0.00 3.41 2.96 -0.59 -1.55 118.68 124.16 1a7u s LEU 174 Ca 0.03 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 1a7u s LEU 174 Cb 0.12 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.21 1a7u s LEU 174 CO 0.66 -0.79 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 1a7u n GLY 175 N 3.54 1.55 1.17 7.98 0.00 -0.16 -4.82 105.19 114.45 1a7u n GLY 175 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.81 0.77 2.61 -2.24 -0.84 -4.88 114.28 108.51 1a7u n THR 176 Ca 0.00 0.27 0.10 0.00 -2.27 0.00 0.00 64.05 62.15 1a7u n THR 176 Cb 0.00 -1.30 -0.09 0.00 -2.10 0.00 0.00 70.33 66.84 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 -3.26 0.15 -3.77 -0.78 1.74 -0.60 -4.91 116.66 105.24 1a7u n ARG 177 Ca 0.00 -0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 1a7u n ARG 177 Cb 0.00 -1.51 -0.12 0.00 -1.02 0.00 0.00 32.46 29.81 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 -3.11 -0.01 0.56 0.55 2.07 -0.88 -4.35 121.20 116.02 1a7u s ILE 178 Ca 0.05 0.04 -0.03 0.00 -1.41 0.00 0.00 60.65 59.30 1a7u s ILE 178 Cb 0.16 -0.36 0.02 0.00 0.13 0.00 0.00 42.46 42.40 1a7u s ILE 178 CO 0.86 0.02 0.83 -0.94 -1.91 0.00 0.00 174.94 173.79 1a7u s SER 179 N 0.45 5.52 0.34 4.50 1.04 -1.26 -0.99 113.70 123.31 1a7u s SER 179 Ca -0.03 0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.87 1a7u s SER 179 Cb -0.04 -1.46 0.61 0.00 0.10 0.00 0.00 66.02 65.24 1a7u s SER 179 CO -0.02 -1.03 1.96 -0.33 0.98 0.00 0.00 173.24 174.80 1a7u h GLU 180 N -0.02 0.76 -0.15 4.02 5.08 -1.98 -2.04 114.58 120.25 1a7u h GLU 180 Ca -0.45 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 57.71 1a7u h GLU 180 Cb 1.27 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1a7u h GLU 180 CO 0.58 0.57 -0.42 0.93 -1.00 0.00 0.00 179.01 179.67 1a7u h GLU 181 N 0.76 0.34 0.00 2.33 3.07 -1.99 -1.43 114.58 117.66 1a7u h GLU 181 Ca 0.19 -0.17 -0.10 0.00 -0.50 0.00 0.00 59.36 58.79 1a7u h GLU 181 Cb 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1a7u h GLU 181 CO -0.03 0.70 -0.47 0.00 -1.40 0.00 0.00 179.01 177.81 1a7u h ALA 182 N 1.28 0.93 -0.13 3.43 0.00 -1.79 -1.28 119.26 121.70 1a7u h ALA 182 Ca 0.02 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 1a7u h ALA 182 Cb 0.86 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1a7u h ALA 182 CO 0.07 0.59 -0.65 0.28 0.00 0.00 0.00 179.25 179.54 1a7u h VAL 183 N 0.00 1.34 -0.64 0.00 2.07 -1.00 -2.25 116.25 115.76 1a7u h VAL 183 Ca -0.00 -1.97 -0.07 0.00 0.82 0.00 0.00 66.70 65.48 1a7u h VAL 183 Cb 1.03 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 1a7u h VAL 183 CO 0.06 0.60 0.14 -0.09 0.02 0.00 0.00 177.57 178.30 1a7u h ARG 184 N 0.37 1.05 -0.65 1.57 2.43 -0.99 -0.15 114.38 118.00 1a7u h ARG 184 Ca -0.02 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1a7u h ARG 184 Cb 1.22 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1a7u h ARG 184 CO 0.12 0.95 0.39 -0.97 -1.51 0.00 0.00 179.97 178.95 1a7u h ASN 185 N 0.96 0.78 -0.45 -3.80 -1.24 -0.98 -0.58 115.58 110.29 1a7u h ASN 185 Ca 0.20 -0.06 0.02 0.00 0.71 0.00 0.00 56.30 57.17 1a7u h ASN 185 Cb 0.39 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.21 1a7u h ASN 185 CO 0.01 0.62 0.25 0.28 -1.29 0.00 0.00 177.43 177.30 1a7u h SER 186 N 0.88 0.40 -0.37 1.15 0.02 -0.76 -1.44 113.55 113.44 1a7u h SER 186 Ca 0.23 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1a7u h SER 186 Cb -0.02 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1a7u h SER 186 CO -0.04 0.29 0.20 -0.25 -1.14 0.00 0.00 176.83 175.89 1a7u h TRP 187 N 0.51 0.38 -0.86 3.45 7.01 -0.68 -0.80 115.95 124.96 1a7u h TRP 187 Ca 0.18 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.21 1a7u h TRP 187 Cb 0.03 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 26.93 1a7u h TRP 187 CO -0.08 0.21 0.56 -0.91 -2.79 0.00 0.00 178.44 175.44 1a7u h ASN 188 N 0.42 0.96 -0.64 2.65 2.35 -0.87 0.01 115.58 120.46 1a7u h ASN 188 Ca 0.15 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1a7u h ASN 188 Cb 0.03 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 1a7u h ASN 188 CO -0.09 0.68 0.30 0.74 -1.65 0.00 0.00 177.43 177.42 1a7u h THR 189 N 1.13 1.22 -0.38 2.81 2.02 -0.87 -2.07 112.91 116.76 1a7u h THR 189 Ca 0.32 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.89 1a7u h THR 189 Cb -0.08 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1a7u h THR 189 CO -0.09 0.26 0.25 0.00 0.37 0.00 0.00 175.52 176.31 1a7u h ALA 190 N 1.13 0.49 0.00 6.16 0.00 -0.52 -2.37 119.26 124.15 1a7u h ALA 190 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1a7u h ALA 190 Cb 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a7u h ALA 190 CO -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 179.25 179.13 1a7u h ALA 191 N 1.15 1.02 0.00 0.00 0.00 -0.81 -1.89 119.26 118.73 1a7u h ALA 191 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1a7u h ALA 191 Cb -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1a7u h ALA 191 CO -0.04 0.03 0.00 0.66 0.00 0.00 0.00 179.25 179.89 1a7u h SER 192 N 0.00 0.00 -4.08 0.00 4.64 -0.83 -3.46 113.55 109.82 1a7u h SER 192 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1a7u h SER 192 Cb 0.37 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.61 1a7u h SER 192 CO 0.00 0.00 0.25 -0.83 -0.87 0.00 0.00 176.83 175.38 1a7u s GLY 193 N -3.76 1.62 0.41 -0.77 0.00 -0.71 -4.70 107.32 99.40 1a7u s GLY 193 Ca 0.09 -0.08 -0.24 0.00 0.00 0.00 0.00 44.72 44.50 1a7u s GLY 193 CO 0.61 0.41 1.08 -0.32 0.00 0.00 0.00 173.10 174.88 1a7u s GLY 194 N -3.43 2.76 0.32 0.20 0.00 0.31 -4.94 107.32 102.53 1a7u s GLY 194 Ca 0.63 0.76 0.02 0.00 0.00 0.00 0.00 44.72 46.13 1a7u s GLY 194 CO 0.57 1.20 1.88 0.27 0.00 0.00 0.00 173.10 177.02 1a7u h PHE 195 N 2.46 0.73 -0.17 1.90 -0.00 -1.94 -2.01 116.94 117.90 1a7u h PHE 195 Ca -0.48 -0.05 -0.15 0.00 -0.00 0.00 0.00 57.97 57.28 1a7u h PHE 195 Cb 1.22 -0.22 0.00 0.00 -0.00 0.00 0.00 35.95 36.96 1a7u h PHE 195 CO 0.57 0.61 -0.49 0.35 -0.00 0.00 0.00 178.31 179.34 1a7u h PHE 196 N 0.70 0.83 -0.53 6.09 3.04 -1.92 -3.08 116.94 122.07 1a7u h PHE 196 Ca 0.16 -0.33 -0.01 0.00 3.98 0.00 0.00 57.97 61.77 1a7u h PHE 196 Cb 0.23 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 1a7u h PHE 196 CO 0.01 1.11 0.29 0.00 -2.02 0.00 0.00 178.31 177.70 1a7u h ALA 197 N 0.56 1.52 -0.93 2.41 0.00 -1.79 -0.09 119.26 120.95 1a7u h ALA 197 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1a7u h ALA 197 Cb 1.11 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1a7u h ALA 197 CO 0.11 0.41 0.55 0.00 0.00 0.00 0.00 179.25 180.31 1a7u h ALA 198 N 1.59 1.21 0.00 0.00 0.00 -1.28 0.14 119.26 120.92 1a7u h ALA 198 Ca 0.19 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1a7u h ALA 198 Cb 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1a7u h ALA 198 CO -0.03 0.66 -1.04 0.00 0.00 0.00 0.00 179.25 178.85 1a7u h ALA 199 N 1.31 0.63 0.00 0.00 0.00 -1.44 -3.36 119.26 116.40 1a7u h ALA 199 Ca 0.33 -0.75 -0.23 0.00 0.00 0.00 0.00 54.91 54.26 1a7u h ALA 199 Cb -0.03 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1a7u h ALA 199 CO -0.06 0.90 -1.21 0.00 0.00 0.00 0.00 179.25 178.88 1a7u h ALA 200 N 1.36 0.52 -0.58 0.00 0.00 -0.64 -3.39 119.26 116.54 1a7u h ALA 200 Ca -0.09 -1.06 0.03 0.00 0.00 0.00 0.00 54.91 53.79 1a7u h ALA 200 Cb 1.57 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1a7u h ALA 200 CO 0.07 1.31 0.34 0.00 0.00 0.00 0.00 179.25 180.96 1a7u h ALA 201 N 1.05 0.75 0.00 0.00 0.00 -0.87 -1.82 119.26 118.36 1a7u h ALA 201 Ca -0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a7u h ALA 201 Cb 1.82 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1a7u h ALA 201 CO 0.11 0.05 -0.00 -1.35 0.00 0.00 0.00 179.25 178.05 1a7u h PRO 202 N 0.66 0.00 0.00 0.00 0.11 -1.78 -0.74 132.00 130.25 1a7u h PRO 202 Ca 0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 1a7u h PRO 202 Cb 0.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 1a7u h PRO 202 CO -0.12 0.00 -0.07 1.79 -0.21 0.00 0.00 178.00 179.39 1a7u h THR 203 N 0.00 0.24 0.00 -1.15 1.35 -1.55 -2.55 112.91 109.24 1a7u h THR 203 Ca -0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1a7u h THR 203 Cb 0.07 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1a7u h THR 203 CO 0.00 0.07 -0.50 0.35 -0.25 0.00 0.00 175.52 175.19 1a7u n THR 204 N -3.27 0.18 0.25 6.82 -2.24 -0.28 -4.21 114.28 111.53 1a7u n THR 204 Ca -0.01 -0.14 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 1a7u n THR 204 Cb 0.28 -0.02 0.65 0.00 -2.10 0.00 0.00 70.33 69.14 1a7u n THR 204 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1a7u h TRP 205 N 0.00 0.00 -0.96 4.78 6.55 -1.53 -2.50 115.95 122.29 1a7u h TRP 205 Ca 0.00 0.00 -0.47 0.00 0.95 0.00 0.00 58.89 59.37 1a7u h TRP 205 Cb 0.62 0.00 -0.28 0.00 -0.86 0.00 0.00 29.16 28.65 1a7u h TRP 205 CO 0.00 0.15 0.59 2.48 -1.05 0.00 0.00 178.44 180.61 1a7u n TYR 206 N -3.79 2.98 -2.01 0.49 0.18 -1.26 -4.61 117.16 109.14 1a7u n TYR 206 Ca -0.02 -1.74 -0.39 0.00 1.88 0.00 0.00 57.90 57.64 1a7u n TYR 206 Cb 0.25 -0.91 0.01 0.00 -0.38 0.00 0.00 39.34 38.31 1a7u n TYR 206 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1a7u s THR 207 N -3.25 2.54 -0.23 -3.48 2.01 -0.94 -4.63 115.64 107.66 1a7u s THR 207 Ca 0.57 0.45 -0.23 0.00 0.31 0.00 0.00 61.69 62.79 1a7u s THR 207 Cb 0.47 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 1a7u s THR 207 CO 0.11 0.04 0.76 -0.62 -0.69 0.00 0.00 174.62 174.23 1a7u s ASP 208 N -0.86 6.77 -0.04 3.53 -1.08 -1.26 -4.50 116.67 119.23 1a7u s ASP 208 Ca 0.61 0.95 0.16 0.00 -0.52 0.00 0.00 52.55 53.75 1a7u s ASP 208 Cb -0.37 -2.40 0.49 0.00 -1.46 0.00 0.00 42.92 39.17 1a7u s ASP 208 CO 0.47 -0.44 1.41 0.49 0.52 0.00 0.00 175.17 177.63 1a7u n PHE 209 N 5.73 0.83 0.08 -5.34 3.72 -0.43 -4.65 117.46 117.40 1a7u n PHE 209 Ca 0.03 -0.56 0.02 0.00 -0.05 0.00 0.00 57.45 56.89 1a7u n PHE 209 Cb 0.48 -0.09 0.37 0.00 -0.94 0.00 0.00 39.48 39.30 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 2.95 0.33 0.00 -1.08 3.08 -1.90 -1.03 114.38 116.72 1a7u h ARG 210 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1a7u h ARG 210 Cb 1.00 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1a7u h ARG 210 CO 0.06 0.42 -0.08 0.00 -1.07 0.00 0.00 179.97 179.31 1a7u n ALA 211 N -2.49 2.41 0.07 0.04 0.00 -1.26 -3.66 120.51 115.62 1a7u n ALA 211 Ca -0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1a7u n ALA 211 Cb 0.25 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.15 1a7u n ALA 211 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a7u h ASP 212 N 0.00 0.15 -0.97 0.00 3.32 -1.52 -3.40 116.42 114.00 1a7u h ASP 212 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.89 1a7u h ASP 212 Cb 0.65 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 1a7u h ASP 212 CO 0.00 1.13 0.63 0.40 -1.72 0.00 0.00 179.24 179.68 1a7u h ILE 213 N 0.03 1.25 0.00 0.35 2.04 -1.58 -1.79 117.51 117.81 1a7u h ILE 213 Ca -0.09 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1a7u h ILE 213 Cb 1.86 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1a7u h ILE 213 CO 0.15 0.25 0.00 -2.65 0.00 0.00 0.00 178.15 175.90 1a7u n PRO 214 N -4.39 0.12 0.00 2.37 -0.02 -1.26 -1.32 135.00 130.50 1a7u n PRO 214 Ca 0.11 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 1a7u n PRO 214 Cb 0.02 -1.80 0.44 0.00 -0.02 0.00 0.00 33.50 32.14 1a7u n PRO 214 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a7u n ARG 215 N -2.03 0.67 -2.40 -0.52 5.12 -0.67 -4.78 116.66 112.05 1a7u n ARG 215 Ca 0.00 -0.34 -0.43 0.00 -1.93 0.00 0.00 57.85 55.16 1a7u n ARG 215 Cb 0.10 -1.49 -0.02 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 -2.57 3.91 -0.27 0.55 1.01 -0.43 -4.78 121.20 118.62 1a7u s ILE 216 Ca 0.24 0.88 0.10 0.00 0.00 0.00 0.00 60.65 61.87 1a7u s ILE 216 Cb 0.19 -4.33 0.46 0.00 0.01 0.00 0.00 42.46 38.79 1a7u s ILE 216 CO 0.53 -0.92 1.18 -0.90 0.00 0.00 0.00 174.94 174.83 1a7u n ASP 217 N 8.94 3.99 -4.14 3.58 5.75 -1.26 -5.02 116.55 128.39 1a7u n ASP 217 Ca 0.15 -3.49 -0.09 0.00 -0.01 0.00 0.00 54.79 51.35 1a7u n ASP 217 Cb 0.49 -0.38 -0.10 0.00 -1.03 0.00 0.00 41.12 40.09 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 -4.22 0.41 0.34 2.12 -7.23 -1.26 -5.09 120.40 105.47 1a7u s VAL 218 Ca 0.46 -1.89 -0.28 0.00 -1.81 0.00 0.00 61.98 58.46 1a7u s VAL 218 Cb 0.39 -1.73 -0.12 0.00 0.56 0.00 0.00 36.38 35.48 1a7u s VAL 218 CO 0.01 -0.81 1.30 -2.65 -0.31 0.00 0.00 175.10 172.65 1a7u n PRO 219 N -0.02 2.15 -4.05 4.82 -0.02 -1.26 -4.76 135.00 131.87 1a7u n PRO 219 Ca -0.11 0.75 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1a7u n PRO 219 Cb 0.62 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.04 0.46 -0.06 3.55 0.00 -1.26 -1.47 121.76 121.94 1a7u s ALA 220 Ca 0.56 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.74 1a7u s ALA 220 Cb -0.57 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 1a7u s ALA 220 CO 0.62 -0.13 -0.20 -1.17 0.00 0.00 0.00 175.76 174.87 1a7u s LEU 221 N -1.86 1.96 -0.15 0.00 2.96 -0.78 -0.75 118.68 120.05 1a7u s LEU 221 Ca -0.08 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1a7u s LEU 221 Cb -0.06 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.50 1a7u s LEU 221 CO -0.02 0.17 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.35 1a7u s ILE 222 N 0.08 2.18 -0.01 6.68 1.01 0.60 -0.23 121.20 131.51 1a7u s ILE 222 Ca -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1a7u s ILE 222 Cb -0.13 -1.89 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 1a7u s ILE 222 CO 0.04 0.54 -0.08 -0.22 0.00 0.00 0.00 174.94 175.22 1a7u s LEU 223 N 0.91 1.96 0.06 2.97 0.20 -0.26 -1.16 118.68 123.37 1a7u s LEU 223 Ca -0.04 -0.14 -0.17 0.00 0.69 0.00 0.00 54.13 54.47 1a7u s LEU 223 Cb -0.15 -0.40 0.03 0.00 -0.43 0.00 0.00 46.19 45.24 1a7u s LEU 223 CO -0.04 0.08 0.39 -2.28 -0.29 0.00 0.00 176.35 174.22 1a7u s HIS 224 N -0.10 -0.22 0.13 5.38 2.46 -0.83 -1.37 115.29 120.74 1a7u s HIS 224 Ca 0.02 0.10 -0.12 0.00 0.47 0.00 0.00 55.06 55.53 1a7u s HIS 224 Cb -0.04 0.21 -0.06 0.00 -0.13 0.00 0.00 32.58 32.55 1a7u s HIS 224 CO -0.00 -0.60 0.48 0.20 -2.47 0.00 0.00 174.74 172.36 1a7u s GLY 225 N -2.23 2.39 0.02 1.59 0.00 -1.26 -0.83 107.32 107.00 1a7u s GLY 225 Ca -0.03 -0.26 0.28 0.00 0.00 0.00 0.00 44.72 44.71 1a7u s GLY 225 CO -0.05 -0.02 1.85 -1.30 0.00 0.00 0.00 173.10 173.57 1a7u n THR 226 N 0.72 0.05 -0.92 0.90 -2.24 -0.62 -2.85 114.28 109.32 1a7u n THR 226 Ca -0.06 -0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.77 1a7u n THR 226 Cb 0.52 -0.41 0.37 0.00 -2.10 0.00 0.00 70.33 68.70 1a7u n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a7u n GLY 227 N 1.48 3.28 3.63 3.38 0.00 0.39 -4.80 105.19 112.56 1a7u n GLY 227 Ca 0.07 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.10 6.51 0.14 1.61 -1.08 -1.04 -4.34 116.67 117.37 1a7u s ASP 228 Ca 0.51 1.52 0.23 0.00 -0.52 0.00 0.00 52.55 54.30 1a7u s ASP 228 Cb 0.39 -2.53 0.15 0.00 -1.46 0.00 0.00 42.92 39.47 1a7u s ASP 228 CO 0.14 -1.16 1.16 0.54 0.52 0.00 0.00 175.17 176.37 1a7u n ARG 229 N 7.47 0.42 -0.06 4.34 1.74 -1.26 -4.02 116.66 125.28 1a7u n ARG 229 Ca 0.17 0.08 -0.20 0.00 -0.77 0.00 0.00 57.85 57.14 1a7u n ARG 229 Cb 0.45 -1.73 -0.13 0.00 -1.02 0.00 0.00 32.46 30.04 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 1.13 -3.28 0.55 2.02 -1.89 -3.43 112.91 108.00 1a7u h THR 230 Ca 0.00 -2.28 -0.63 0.00 0.77 0.00 0.00 66.41 64.27 1a7u h THR 230 Cb 0.84 2.62 -0.40 0.00 -1.74 0.00 0.00 68.15 69.47 1a7u h THR 230 CO 0.00 0.50 -0.70 -0.76 0.37 0.00 0.00 175.52 174.94 1a7u s LEU 231 N -7.83 3.62 0.30 2.58 1.43 -1.26 -5.10 118.68 112.41 1a7u s LEU 231 Ca -0.24 -2.58 -0.29 0.00 -1.03 0.00 0.00 54.13 49.99 1a7u s LEU 231 Cb 0.04 -1.35 -0.11 0.00 0.03 0.00 0.00 46.19 44.80 1a7u s LEU 231 CO 0.67 -0.29 1.45 -2.84 0.23 0.00 0.00 176.35 175.57 1a7u s PRO 232 N 0.35 4.22 0.44 1.29 0.02 -1.26 -4.76 135.00 135.31 1a7u s PRO 232 Ca 0.15 2.40 0.13 0.00 0.02 0.00 0.00 61.00 63.70 1a7u s PRO 232 Cb -0.23 -3.05 0.99 0.00 0.02 0.00 0.00 34.50 32.22 1a7u s PRO 232 CO -0.04 -0.44 2.01 0.97 -0.33 0.00 0.00 177.00 179.17 1a7u h ILE 233 N 3.28 1.12 0.00 2.83 2.10 -1.82 -1.92 117.51 123.10 1a7u h ILE 233 Ca -0.48 -0.53 -0.05 0.00 1.08 0.00 0.00 64.86 64.88 1a7u h ILE 233 Cb 1.22 1.20 -0.01 0.00 -1.09 0.00 0.00 36.82 38.15 1a7u h ILE 233 CO 0.73 0.16 -0.26 -0.33 -1.08 0.00 0.00 178.15 177.36 1a7u h GLU 234 N 0.08 0.00 -0.03 2.19 3.07 -1.97 -2.08 114.58 115.85 1a7u h GLU 234 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1a7u h GLU 234 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1a7u h GLU 234 CO 0.02 0.26 -0.08 0.09 -1.40 0.00 0.00 179.01 177.90 1a7u n ASN 235 N -3.71 2.68 0.00 1.42 4.13 -0.74 -4.39 115.26 114.65 1a7u n ASN 235 Ca -0.01 -1.84 0.00 0.00 1.68 0.00 0.00 54.58 54.41 1a7u n ASN 235 Cb 0.37 0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 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 1.02 0.00 -0.31 3.41 -2.24 -1.07 -4.55 114.28 110.53 1a7u n THR 236 Ca 0.12 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.94 1a7u n THR 236 Cb 0.53 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.00 1.25 -0.22 6.98 0.00 -1.71 0.31 119.26 126.88 1a7u h ALA 237 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1a7u h ALA 237 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1a7u h ALA 237 CO 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 179.25 179.04 1a7u h ARG 238 N 0.82 0.46 0.00 0.00 3.08 -1.65 -0.85 114.38 116.23 1a7u h ARG 238 Ca 0.42 -0.19 -0.22 0.00 0.07 0.00 0.00 59.98 60.05 1a7u h ARG 238 Cb 0.41 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1a7u h ARG 238 CO -0.26 0.73 -1.12 -0.39 -1.07 0.00 0.00 179.97 177.86 1a7u h VAL 239 N 0.39 1.58 -0.32 2.04 -1.51 -1.57 -3.23 116.25 113.63 1a7u h VAL 239 Ca 0.05 -3.31 -0.06 0.00 -1.23 0.00 0.00 66.70 62.15 1a7u h VAL 239 Cb 0.76 2.78 -0.02 0.00 -2.13 0.00 0.00 31.29 32.68 1a7u h VAL 239 CO 0.06 0.90 -0.05 0.15 -1.23 0.00 0.00 177.57 177.39 1a7u h PHE 240 N 0.00 0.55 -0.21 5.19 3.57 -0.03 -2.31 116.94 123.70 1a7u h PHE 240 Ca -0.06 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.28 1a7u h PHE 240 Cb 1.81 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 1a7u h PHE 240 CO 0.00 0.58 -0.28 1.25 -2.23 0.00 0.00 178.31 177.63 1a7u h HIS 241 N 0.49 0.45 -0.07 0.41 2.76 -1.20 0.01 115.15 118.01 1a7u h HIS 241 Ca 0.10 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 1a7u h HIS 241 Cb 0.41 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1a7u h HIS 241 CO 0.01 0.65 -0.24 -0.22 -1.30 0.00 0.00 177.93 176.83 1a7u h LYS 242 N 0.35 0.12 0.00 5.26 3.64 -1.45 -2.10 116.57 122.39 1a7u h LYS 242 Ca 0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1a7u h LYS 242 Cb 0.67 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1a7u h LYS 242 CO 0.05 0.35 -0.38 0.00 -2.27 0.00 0.00 179.45 177.21 1a7u h ALA 243 N 1.65 0.81 -2.05 5.00 0.00 -0.88 -3.37 119.26 120.42 1a7u h ALA 243 Ca 0.02 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.37 1a7u h ALA 243 Cb 0.49 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.88 1a7u h ALA 243 CO 0.03 0.00 -0.99 -0.11 0.00 0.00 0.00 179.25 178.18 1a7u n LEU 244 N -2.84 1.20 0.18 0.00 7.94 -0.13 -4.82 117.00 118.53 1a7u n LEU 244 Ca 0.03 -4.93 0.13 0.00 -1.11 0.00 0.00 56.01 50.13 1a7u n LEU 244 Cb 0.52 0.33 0.59 0.00 0.53 0.00 0.00 43.42 45.39 1a7u n LEU 244 CO 0.36 2.11 0.90 1.55 -1.11 0.00 0.00 177.39 181.20 1a7u h PRO 245 N 3.85 0.00 0.00 1.96 0.13 -1.57 -1.85 132.00 134.52 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 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1a7u h PRO 245 CO 0.56 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.20 1a7u n SER 246 N -2.45 0.22 -4.79 1.44 3.41 -1.26 -4.86 113.62 105.33 1a7u n SER 246 Ca 0.01 0.53 -0.35 0.00 -0.26 0.00 0.00 58.87 58.80 1a7u n SER 246 Cb 0.20 -0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 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 -3.04 2.79 0.31 7.33 0.00 -0.70 -4.73 121.76 123.71 1a7u s ALA 247 Ca 0.11 0.72 -0.28 0.00 0.00 0.00 0.00 51.96 52.51 1a7u s ALA 247 Cb 0.15 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 1a7u s ALA 247 CO 0.48 -0.54 1.13 -2.00 0.00 0.00 0.00 175.76 174.83 1a7u s GLU 248 N -3.24 4.50 -0.06 0.00 2.12 0.07 -4.90 118.70 117.19 1a7u s GLU 248 Ca 0.70 1.83 0.01 0.00 0.36 0.00 0.00 54.97 57.87 1a7u s GLU 248 Cb -0.20 -3.05 0.02 0.00 0.26 0.00 0.00 34.13 31.15 1a7u s GLU 248 CO 0.24 0.07 -0.06 -0.47 -0.54 0.00 0.00 175.26 174.50 1a7u s TYR 249 N -1.24 0.96 -0.05 5.30 5.04 -1.26 -0.29 117.35 125.81 1a7u s TYR 249 Ca 0.48 -0.32 0.02 0.00 -2.44 0.00 0.00 57.07 54.80 1a7u s TYR 249 Cb -0.32 -0.82 0.01 0.00 0.35 0.00 0.00 41.96 41.19 1a7u s TYR 249 CO 0.41 -0.25 -0.10 0.08 -1.34 0.00 0.00 175.55 174.34 1a7u s VAL 250 N 1.02 0.98 -0.13 3.14 1.01 -0.31 -4.98 120.40 121.14 1a7u s VAL 250 Ca -0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1a7u s VAL 250 Cb -0.14 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1a7u s VAL 250 CO -0.00 0.32 -0.04 -1.61 0.00 0.00 0.00 175.10 173.77 1a7u s GLU 251 N 0.62 3.43 -0.39 2.72 2.02 -1.26 -1.96 118.70 123.88 1a7u s GLU 251 Ca -0.12 -0.51 -0.12 0.00 0.02 0.00 0.00 54.97 54.24 1a7u s GLU 251 Cb -0.14 -2.85 0.03 0.00 0.10 0.00 0.00 34.13 31.27 1a7u s GLU 251 CO 0.03 0.38 0.24 0.08 0.02 0.00 0.00 175.26 176.00 1a7u s VAL 252 N -0.01 4.78 0.09 2.63 1.01 -0.01 -4.96 120.40 123.93 1a7u s VAL 252 Ca 0.01 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 60.86 1a7u s VAL 252 Cb -0.13 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1a7u s VAL 252 CO 0.03 -0.28 1.75 -0.70 0.00 0.00 0.00 175.10 175.90 1a7u s GLU 253 N 1.59 4.17 0.00 2.72 2.56 -1.26 -1.59 118.70 126.89 1a7u s GLU 253 Ca 0.03 2.46 0.00 0.00 0.00 0.00 0.00 54.97 57.46 1a7u s GLU 253 Cb -0.19 -3.65 0.00 0.00 2.00 0.00 0.00 34.13 32.29 1a7u s GLU 253 CO 0.08 -0.80 0.00 0.41 -0.56 0.00 0.00 175.26 174.38 1a7u n GLY 254 N 4.14 0.91 3.79 -1.50 0.00 -1.26 -4.84 105.19 106.43 1a7u n GLY 254 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.73 2.81 0.57 4.61 0.00 -1.06 -4.28 121.76 120.67 1a7u s ALA 255 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 1a7u s ALA 255 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1a7u s ALA 255 CO 0.00 -0.50 0.16 -0.35 0.00 0.00 0.00 175.76 175.07 1a7u n PRO 256 N -1.07 0.34 -0.23 0.00 -0.04 -1.26 -0.46 135.00 132.28 1a7u n PRO 256 Ca 0.10 -0.38 -0.08 0.00 -0.04 0.00 0.00 63.50 63.10 1a7u n PRO 256 Cb 0.52 -0.12 0.04 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.58 1.17 -0.57 0.54 -0.00 -1.75 -3.22 115.15 110.74 1a7u h HIS 257 Ca -0.05 -0.16 -0.35 0.00 -0.00 0.00 0.00 60.37 59.81 1a7u h HIS 257 Cb 0.18 -0.32 -0.13 0.00 -0.00 0.00 0.00 27.41 27.14 1a7u h HIS 257 CO 0.00 0.98 0.07 0.41 -0.00 0.00 0.00 177.93 179.39 1a7u n GLY 258 N -0.56 3.73 0.00 5.26 0.00 0.11 -4.61 105.19 109.12 1a7u n GLY 258 Ca 0.04 -1.50 0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 1.51 0.00 -0.03 0.99 -0.00 -1.22 -3.03 117.00 115.22 1a7u n LEU 259 Ca 0.43 0.31 0.02 0.00 -0.00 0.00 0.00 56.01 56.77 1a7u n LEU 259 Cb 0.70 -0.31 0.35 0.00 -0.00 0.00 0.00 43.42 44.16 1a7u n LEU 259 CO 0.24 -0.02 1.09 -0.07 -0.00 0.00 0.00 177.39 178.63 1a7u h LEU 260 N 0.00 0.54 0.01 1.47 3.38 -1.88 -1.62 115.31 117.20 1a7u h LEU 260 Ca 0.00 -0.05 -0.38 0.00 0.09 0.00 0.00 57.88 57.54 1a7u h LEU 260 Cb 0.29 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1a7u h LEU 260 CO 0.00 0.47 -2.12 1.87 0.09 0.00 0.00 178.44 178.75 1a7u n TRP 261 N -4.39 0.40 -0.06 1.13 -0.00 -1.17 -3.68 117.44 109.68 1a7u n TRP 261 Ca 0.03 0.15 -0.04 0.00 -0.00 0.00 0.00 57.50 57.64 1a7u n TRP 261 Cb 0.13 -1.04 0.18 0.00 -0.00 0.00 0.00 31.31 30.57 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 -0.80 1.25 -1.20 5.87 1.35 -1.57 -3.04 112.91 114.77 1a7u h THR 262 Ca -0.56 -1.10 -0.54 0.00 -0.55 0.00 0.00 66.41 63.65 1a7u h THR 262 Cb 1.59 1.07 -0.42 0.00 -1.73 0.00 0.00 68.15 68.66 1a7u h THR 262 CO -0.28 0.37 -0.81 1.41 -0.25 0.00 0.00 175.52 175.95 1a7u n HIS 263 N -4.18 2.93 -0.33 4.73 8.25 -0.61 -4.86 115.22 121.15 1a7u n HIS 263 Ca 0.01 -2.78 -0.04 0.00 -0.26 0.00 0.00 57.72 54.65 1a7u n HIS 263 Cb 0.34 -0.19 0.09 0.00 1.12 0.00 0.00 29.99 31.35 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 2.50 1.15 -0.54 -1.41 0.00 -1.52 -0.72 119.26 118.72 1a7u h ALA 264 Ca 0.27 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1a7u h ALA 264 Cb 1.14 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1a7u h ALA 264 CO 0.76 0.67 0.16 0.93 0.00 0.00 0.00 179.25 181.77 1a7u h GLU 265 N 1.26 0.84 -0.67 0.00 4.39 -1.89 0.20 114.58 118.71 1a7u h GLU 265 Ca 0.31 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1a7u h GLU 265 Cb 0.04 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1a7u h GLU 265 CO -0.05 0.78 0.35 0.93 -1.16 0.00 0.00 179.01 179.87 1a7u h GLU 266 N 0.75 0.94 -0.35 2.33 3.07 -1.78 -1.13 114.58 118.41 1a7u h GLU 266 Ca 0.17 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.86 1a7u h GLU 266 Cb 0.30 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1a7u h GLU 266 CO -0.00 0.72 0.01 0.28 -1.40 0.00 0.00 179.01 178.61 1a7u h VAL 267 N 0.92 1.26 -0.49 3.13 2.07 -1.03 -2.72 116.25 119.38 1a7u h VAL 267 Ca 0.23 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1a7u h VAL 267 Cb 0.06 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1a7u h VAL 267 CO -0.04 0.32 0.06 0.78 0.02 0.00 0.00 177.57 178.71 1a7u h ASN 268 N 0.42 0.80 -0.73 0.57 2.35 -0.49 0.13 115.58 118.62 1a7u h ASN 268 Ca 0.10 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 1a7u h ASN 268 Cb 0.44 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1a7u h ASN 268 CO 0.02 0.87 0.34 0.71 -1.65 0.00 0.00 177.43 177.71 1a7u h THR 269 N 0.70 1.24 -0.34 2.81 1.35 -1.23 -0.58 112.91 116.86 1a7u h THR 269 Ca 0.15 -0.69 -0.08 0.00 -0.55 0.00 0.00 66.41 65.23 1a7u h THR 269 Cb 0.42 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 1a7u h THR 269 CO 0.01 0.29 -0.11 0.00 -0.25 0.00 0.00 175.52 175.46 1a7u h ALA 270 N 1.17 0.47 -0.47 6.62 0.00 -1.17 -1.34 119.26 124.54 1a7u h ALA 270 Ca 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1a7u h ALA 270 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1a7u h ALA 270 CO -0.03 0.34 0.23 1.25 0.00 0.00 0.00 179.25 181.05 1a7u h LEU 271 N 0.45 0.61 -0.66 0.00 5.85 -0.61 -1.80 115.31 119.15 1a7u h LEU 271 Ca 0.08 -0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 1a7u h LEU 271 Cb 0.63 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1a7u h LEU 271 CO 0.04 0.55 -0.64 -0.07 -0.34 0.00 0.00 178.44 177.98 1a7u h LEU 272 N 0.62 0.15 -0.65 2.25 3.38 -1.10 -0.75 115.31 119.21 1a7u h LEU 272 Ca 0.16 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1a7u h LEU 272 Cb 0.10 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1a7u h LEU 272 CO -0.02 0.75 0.08 0.00 0.09 0.00 0.00 178.44 179.33 1a7u h ALA 273 N 1.25 0.87 -0.59 1.53 0.00 -1.09 -2.08 119.26 119.15 1a7u h ALA 273 Ca -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1a7u h ALA 273 Cb 1.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1a7u h ALA 273 CO 0.09 0.66 0.14 0.35 0.00 0.00 0.00 179.25 180.49 1a7u h PHE 274 N 1.01 1.01 0.00 0.00 3.57 -0.86 -3.01 116.94 118.66 1a7u h PHE 274 Ca 0.19 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1a7u h PHE 274 Cb 0.48 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1a7u h PHE 274 CO 0.04 0.86 0.00 -0.07 -2.23 0.00 0.00 178.31 176.90 1a7u h LEU 275 N 0.86 0.00 -0.03 0.59 3.38 -0.96 -2.43 115.31 116.72 1a7u h LEU 275 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1a7u h LEU 275 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1a7u h LEU 275 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1a7u n ALA 276 N -2.06 2.16 1.71 1.53 0.00 -0.80 -5.10 120.51 117.95 1a7u n ALA 276 Ca 0.01 -0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.52 1a7u n ALA 276 Cb 0.29 -1.42 0.70 0.00 0.00 0.00 0.00 19.45 19.02 1a7u n ALA 276 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13