#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pu7 s THR 5 N 0.00 1.22 0.12 -5.08 -4.23 -1.26 -5.05 115.64 101.36 2pu7 s THR 5 Ca 0.00 -2.08 -0.28 0.00 -1.18 0.00 0.00 61.69 58.16 2pu7 s THR 5 Cb 0.00 -2.00 -0.06 0.00 1.34 0.00 0.00 72.50 71.78 2pu7 s THR 5 CO 0.00 -0.62 1.61 -0.08 -0.54 0.00 0.00 174.62 174.99 2pu7 h GLU 6 N 2.67 -0.47 -0.24 3.99 4.22 -1.99 -2.07 114.58 120.69 2pu7 h GLU 6 Ca -0.37 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.16 2pu7 h GLU 6 Cb 1.20 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 2pu7 h GLU 6 CO 0.64 -0.31 -0.14 1.03 -2.18 0.00 0.00 179.01 178.04 2pu7 h SER 7 N -0.49 -0.47 0.88 1.04 0.87 -1.96 -1.05 113.55 112.37 2pu7 h SER 7 Ca 0.06 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2pu7 h SER 7 Cb 0.57 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2pu7 h SER 7 CO -0.26 -0.18 0.00 0.77 -0.53 0.00 0.00 176.83 176.63 2pu7 h SER 8 N -0.12 0.00 -0.00 6.23 4.64 -1.94 -3.00 113.55 119.36 2pu7 h SER 8 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2pu7 h SER 8 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2pu7 h SER 8 CO -0.31 0.00 -0.71 0.35 -0.87 0.00 0.00 176.83 175.29 2pu7 n THR 9 N -3.07 0.00 -1.87 2.95 -2.24 -0.79 -4.97 114.28 104.30 2pu7 n THR 9 Ca 0.00 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 2pu7 n THR 9 Cb 0.27 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 2pu7 n THR 9 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2pu7 s SER 10 N -2.51 6.55 0.06 3.42 0.15 -0.43 -1.65 113.70 119.30 2pu7 s SER 10 Ca 0.09 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.31 2pu7 s SER 10 Cb 0.14 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 2pu7 s SER 10 CO 0.65 -0.92 -0.05 -0.54 1.20 0.00 0.00 173.24 173.58 2pu7 s LYS 11 N 2.70 0.63 0.11 5.44 1.02 0.58 -4.98 119.74 125.25 2pu7 s LYS 11 Ca 0.76 -1.11 0.06 0.00 0.02 0.00 0.00 55.97 55.70 2pu7 s LYS 11 Cb -0.41 0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 2pu7 s LYS 11 CO 0.33 -0.05 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.50 2pu7 s PHE 12 N -3.16 1.48 -0.13 3.18 0.08 -1.26 -1.56 117.98 116.60 2pu7 s PHE 12 Ca 0.03 -0.50 -0.10 0.00 0.12 0.00 0.00 56.93 56.48 2pu7 s PHE 12 Cb 0.02 -0.79 0.04 0.00 -0.57 0.00 0.00 43.02 41.73 2pu7 s PHE 12 CO -0.06 0.16 0.33 0.54 -0.10 0.00 0.00 175.22 176.09 2pu7 s VAL 13 N -1.76 -0.01 0.08 -0.44 0.11 -0.76 -5.01 120.40 112.61 2pu7 s VAL 13 Ca 0.07 0.05 -0.23 0.00 -2.93 0.00 0.00 61.98 58.94 2pu7 s VAL 13 Cb -0.07 -0.48 -0.06 0.00 -1.53 0.00 0.00 36.38 34.24 2pu7 s VAL 13 CO 0.03 0.02 0.68 -0.54 -3.33 0.00 0.00 175.10 171.96 2pu7 s LYS 14 N 0.63 4.40 0.14 1.54 -0.14 -1.26 -1.52 119.74 123.54 2pu7 s LYS 14 Ca -0.04 0.93 0.10 0.00 -1.36 0.00 0.00 55.97 55.61 2pu7 s LYS 14 Cb -0.05 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 32.76 2pu7 s LYS 14 CO -0.04 0.48 -0.22 0.96 -0.76 0.00 0.00 175.35 175.77 2pu7 s ILE 15 N -0.67 2.53 -0.44 2.17 -4.36 0.24 -4.81 121.20 115.85 2pu7 s ILE 15 Ca 0.34 -1.73 0.07 0.00 -0.26 0.00 0.00 60.65 59.06 2pu7 s ILE 15 Cb -0.20 -2.16 0.23 0.00 1.25 0.00 0.00 42.46 41.57 2pu7 s ILE 15 CO 0.22 0.03 0.51 0.59 0.24 0.00 0.00 174.94 176.53 2pu7 n ASN 16 N 0.67 0.61 -3.98 4.36 3.02 -1.26 -0.89 115.26 117.79 2pu7 n ASN 16 Ca -0.16 -2.74 -0.31 0.00 -0.03 0.00 0.00 54.58 51.35 2pu7 n ASN 16 Cb 0.54 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.92 2pu7 n ASN 16 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2pu7 s GLU 17 N -1.08 1.86 7.51 3.52 2.56 -1.18 -4.97 118.70 126.92 2pu7 s GLU 17 Ca 0.35 -1.01 0.00 0.00 0.00 0.00 0.00 54.97 54.31 2pu7 s GLU 17 Cb 0.13 -2.59 0.00 0.00 2.00 0.00 0.00 34.13 33.67 2pu7 s GLU 17 CO -0.12 -0.54 0.00 1.63 -0.56 0.00 0.00 175.26 175.67 2pu7 n LYS 18 N 4.63 0.00 -0.23 4.30 5.02 -1.26 -2.24 118.16 128.38 2pu7 n LYS 18 Ca -0.13 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.13 2pu7 n LYS 18 Cb 0.44 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.51 2pu7 n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pu7 n GLY 19 N 0.00 2.27 3.40 0.72 0.00 -1.26 -4.72 105.19 105.60 2pu7 n GLY 19 Ca 0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2pu7 n GLY 19 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pu7 s PHE 20 N -0.90 2.89 -0.12 1.61 0.08 -0.95 -5.11 117.98 115.47 2pu7 s PHE 20 Ca 0.11 -0.58 -0.02 0.00 0.12 0.00 0.00 56.93 56.57 2pu7 s PHE 20 Cb 0.09 -1.90 0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2pu7 s PHE 20 CO 0.03 -0.20 0.01 0.45 -0.10 0.00 0.00 175.22 175.41 2pu7 s SER 21 N 0.46 2.16 -1.37 1.36 0.15 -1.25 -3.09 113.70 112.12 2pu7 s SER 21 Ca -0.07 -0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.10 2pu7 s SER 21 Cb -0.15 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 2pu7 s SER 21 CO 0.04 -0.23 0.41 -0.67 1.20 0.00 0.00 173.24 173.99 2pu7 n ASP 22 N 5.10 -1.31 -4.76 5.45 2.03 -0.84 -4.91 116.55 117.31 2pu7 n ASP 22 Ca -0.08 -1.11 -0.37 0.00 0.52 0.00 0.00 54.79 53.74 2pu7 n ASP 22 Cb 0.49 -2.58 -0.06 0.00 -0.72 0.00 0.00 41.12 38.24 2pu7 n ASP 22 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2pu7 s PHE 23 N -3.93 3.54 -0.19 -0.67 5.36 -0.07 -4.74 117.98 117.28 2pu7 s PHE 23 Ca 0.14 0.76 -0.21 0.00 -0.96 0.00 0.00 56.93 56.66 2pu7 s PHE 23 Cb -0.06 -2.37 -0.03 0.00 -0.34 0.00 0.00 43.02 40.22 2pu7 s PHE 23 CO 0.92 0.33 0.62 1.21 -1.46 0.00 0.00 175.22 176.84 2pu7 s ASN 24 N 0.12 6.70 -0.16 6.13 2.47 -1.26 0.81 114.94 129.75 2pu7 s ASN 24 Ca 0.21 0.85 0.01 0.00 0.42 0.00 0.00 52.86 54.34 2pu7 s ASN 24 Cb -0.14 -2.35 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 2pu7 s ASN 24 CO 0.08 -0.25 -0.17 -0.63 -3.72 0.00 0.00 177.10 172.41 2pu7 s ILE 25 N 1.77 2.46 0.03 -5.21 -1.09 -0.57 -0.11 121.20 118.47 2pu7 s ILE 25 Ca 0.29 -0.83 -0.20 0.00 -2.23 0.00 0.00 60.65 57.67 2pu7 s ILE 25 Cb -0.16 -2.03 -0.06 0.00 -1.58 0.00 0.00 42.46 38.63 2pu7 s ILE 25 CO 0.11 0.52 0.59 -2.28 -1.23 0.00 0.00 174.94 172.65 2pu7 s HIS 26 N 0.97 3.73 0.14 3.97 5.65 -1.26 -1.82 115.29 126.67 2pu7 s HIS 26 Ca -0.03 1.23 -0.04 0.00 0.25 0.00 0.00 55.06 56.47 2pu7 s HIS 26 Cb -0.15 -2.57 -0.03 0.00 -1.18 0.00 0.00 32.58 28.65 2pu7 s HIS 26 CO -0.03 0.44 0.15 1.52 -0.65 0.00 0.00 174.74 176.17 2pu7 s TYR 27 N -0.54 0.66 -0.09 3.88 1.13 -0.60 -1.27 117.35 120.51 2pu7 s TYR 27 Ca 0.30 -1.03 0.04 0.00 -1.41 0.00 0.00 57.07 54.97 2pu7 s TYR 27 Cb -0.19 -0.30 0.00 0.00 -1.10 0.00 0.00 41.96 40.37 2pu7 s TYR 27 CO 0.18 -0.60 -0.22 -0.80 -2.51 0.00 0.00 175.55 171.60 2pu7 s ASN 28 N -3.01 2.84 0.00 -0.18 -0.87 0.07 -0.31 114.94 113.49 2pu7 s ASN 28 Ca 0.21 -0.51 0.03 0.00 -1.57 0.00 0.00 52.86 51.02 2pu7 s ASN 28 Cb 0.06 -1.25 -0.01 0.00 -0.02 0.00 0.00 41.25 40.02 2pu7 s ASN 28 CO 0.01 0.14 -0.10 -0.70 -2.57 0.00 0.00 177.10 173.89 2pu7 s GLU 29 N 0.35 0.74 0.14 -0.60 2.12 -0.66 0.58 118.70 121.37 2pu7 s GLU 29 Ca -0.17 -0.41 -0.19 0.00 0.36 0.00 0.00 54.97 54.56 2pu7 s GLU 29 Cb -0.17 -0.70 0.05 0.00 0.26 0.00 0.00 34.13 33.57 2pu7 s GLU 29 CO 0.08 0.19 0.50 0.00 -0.54 0.00 0.00 175.26 175.48 2pu7 s ALA 30 N -0.38 -1.25 0.03 6.30 0.00 -0.84 -4.66 121.76 120.96 2pu7 s ALA 30 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2pu7 s ALA 30 Cb -0.04 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2pu7 s ALA 30 CO -0.00 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2pu7 n GLY 31 N -0.30 -2.05 0.00 0.00 0.00 -1.26 -0.56 105.19 101.01 2pu7 n GLY 31 Ca -0.16 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2pu7 n GLY 31 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pu7 n ASN 32 N -2.56 0.30 -2.81 1.61 0.23 -1.26 -4.64 115.26 106.14 2pu7 n ASN 32 Ca -0.00 -1.05 0.00 0.00 -0.53 0.00 0.00 54.58 53.00 2pu7 n ASN 32 Cb 0.04 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 2pu7 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pu7 n GLY 33 N -0.03 0.67 3.66 4.83 0.00 -1.17 -4.72 105.19 108.43 2pu7 n GLY 33 Ca 0.00 -1.54 -0.44 0.00 0.00 0.00 0.00 46.02 44.04 2pu7 n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pu7 n GLU 34 N 0.00 1.86 -2.52 1.61 1.02 -1.26 -3.47 120.64 117.88 2pu7 n GLU 34 Ca 0.00 0.66 -0.41 0.00 -0.02 0.00 0.00 57.16 57.39 2pu7 n GLU 34 Cb 0.00 -2.21 -0.04 0.00 -0.02 0.00 0.00 31.44 29.17 2pu7 n GLU 34 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2pu7 s THR 35 N -0.71 3.85 -0.13 2.62 2.01 -1.26 -0.70 115.64 121.33 2pu7 s THR 35 Ca 0.61 1.63 0.01 0.00 0.31 0.00 0.00 61.69 64.25 2pu7 s THR 35 Cb -0.64 -4.04 0.02 0.00 0.01 0.00 0.00 72.50 67.85 2pu7 s THR 35 CO 0.57 0.29 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.97 2pu7 s VAL 36 N -0.36 1.43 -0.21 3.82 1.01 0.41 -1.22 120.40 125.29 2pu7 s VAL 36 Ca 0.49 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 2pu7 s VAL 36 Cb -0.29 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2pu7 s VAL 36 CO 0.35 0.43 0.02 -0.63 0.00 0.00 0.00 175.10 175.27 2pu7 s ILE 37 N 1.34 4.06 -0.12 2.22 1.01 0.11 -1.17 121.20 128.65 2pu7 s ILE 37 Ca 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 2pu7 s ILE 37 Cb -0.14 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 2pu7 s ILE 37 CO -0.07 0.41 0.01 -0.04 0.00 0.00 0.00 174.94 175.25 2pu7 s MET 38 N 1.14 3.36 -0.07 2.79 -1.94 0.17 -1.12 119.30 123.62 2pu7 s MET 38 Ca 0.03 -0.42 0.02 0.00 -1.71 0.00 0.00 55.69 53.61 2pu7 s MET 38 Cb -0.14 -2.91 0.01 0.00 2.01 0.00 0.00 34.83 33.80 2pu7 s MET 38 CO 0.02 0.51 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.91 2pu7 s LEU 39 N -0.33 1.62 0.56 -0.03 1.43 0.04 -2.33 118.68 119.64 2pu7 s LEU 39 Ca 0.07 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2pu7 s LEU 39 Cb -0.12 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.29 2pu7 s LEU 39 CO 0.02 0.02 0.82 -1.38 0.23 0.00 0.00 176.35 176.06 2pu7 s HIS 40 N 0.74 3.05 1.11 0.29 -3.43 -1.26 -2.92 115.29 112.87 2pu7 s HIS 40 Ca -0.13 0.28 -0.17 0.00 -0.80 0.00 0.00 55.06 54.24 2pu7 s HIS 40 Cb -0.16 -2.72 0.25 0.00 -1.43 0.00 0.00 32.58 28.52 2pu7 s HIS 40 CO 0.03 -0.83 1.13 0.20 -2.00 0.00 0.00 174.74 173.27 2pu7 s GLY 41 N -4.36 1.60 -0.09 -1.38 0.00 -1.24 -1.95 107.32 99.89 2pu7 s GLY 41 Ca 0.55 -0.82 0.14 0.00 0.00 0.00 0.00 44.72 44.59 2pu7 s GLY 41 CO 0.41 -0.03 1.40 0.61 0.00 0.00 0.00 173.10 175.48 2pu7 n GLY 42 N -1.39 3.27 3.79 0.20 0.00 -1.26 -4.75 105.19 105.05 2pu7 n GLY 42 Ca 0.11 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 2pu7 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pu7 s GLY 43 N -1.35 1.66 0.21 -0.02 0.00 -1.26 -4.94 107.32 101.62 2pu7 s GLY 43 Ca 0.36 0.07 -0.32 0.00 0.00 0.00 0.00 44.72 44.83 2pu7 s GLY 43 CO 0.15 0.42 1.44 -1.05 0.00 0.00 0.00 173.10 174.06 2pu7 n PRO 44 N -3.35 2.00 -0.11 2.90 -0.02 -1.26 -1.91 135.00 133.25 2pu7 n PRO 44 Ca 0.08 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2pu7 n PRO 44 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2pu7 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pu7 n GLY 45 N 2.48 1.94 3.69 -1.23 0.00 -1.26 -4.91 105.19 105.89 2pu7 n GLY 45 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2pu7 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu7 n ALA 46 N -0.46 0.84 -3.76 4.61 0.00 -0.80 -4.79 120.51 116.15 2pu7 n ALA 46 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 2pu7 n ALA 46 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.19 2pu7 n ALA 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2pu7 s GLY 47 N -1.24 -0.22 0.08 0.00 0.00 -1.26 -3.90 107.32 100.77 2pu7 s GLY 47 Ca 0.78 0.09 -0.34 0.00 0.00 0.00 0.00 44.72 45.26 2pu7 s GLY 47 CO 0.44 -0.00 1.61 -1.33 0.00 0.00 0.00 173.10 173.82 2pu7 h GLY 48 N 2.00 -1.02 0.79 0.20 0.00 -1.84 -2.66 103.07 100.54 2pu7 h GLY 48 Ca -0.24 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2pu7 h GLY 48 CO 0.25 -0.36 -0.29 -0.25 0.00 0.00 0.00 176.54 175.89 2pu7 h TRP 49 N -0.95 -0.77 0.00 5.60 2.91 -1.92 -2.45 115.95 118.38 2pu7 h TRP 49 Ca -0.08 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.91 2pu7 h TRP 49 Cb 0.76 0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 29.69 2pu7 h TRP 49 CO -0.08 -0.43 -0.10 0.66 -1.03 0.00 0.00 178.44 177.45 2pu7 h SER 50 N -0.67 0.00 0.98 2.65 4.64 -1.97 0.97 113.55 120.14 2pu7 h SER 50 Ca -0.03 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.10 2pu7 h SER 50 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 2pu7 h SER 50 CO 0.00 0.10 -0.87 -1.13 -0.87 0.00 0.00 176.83 174.07 2pu7 h ASN 51 N 0.00 0.00 0.00 4.97 -1.24 -1.36 -3.39 115.58 114.56 2pu7 h ASN 51 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2pu7 h ASN 51 Cb 0.36 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.41 2pu7 h ASN 51 CO 0.01 0.87 0.00 -1.22 -1.29 0.00 0.00 177.43 175.80 2pu7 n TYR 52 N -3.42 0.00 0.32 0.67 4.01 -0.93 -4.71 117.16 113.09 2pu7 n TYR 52 Ca -0.00 -0.06 0.16 0.00 -0.16 0.00 0.00 57.90 57.84 2pu7 n TYR 52 Cb 0.85 -0.01 0.82 0.00 -0.31 0.00 0.00 39.34 40.70 2pu7 n TYR 52 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2pu7 h TYR 53 N 0.00 0.00 -0.00 -0.72 -0.00 -1.02 0.24 116.97 115.47 2pu7 h TYR 53 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2pu7 h TYR 53 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.88 2pu7 h TYR 53 CO 0.00 0.00 -0.14 0.54 -0.00 0.00 0.00 178.16 178.56 2pu7 n ARG 54 N -2.96 0.54 -0.06 0.10 1.74 -1.26 -4.17 116.66 110.59 2pu7 n ARG 54 Ca -0.01 -0.19 -0.07 0.00 -0.77 0.00 0.00 57.85 56.81 2pu7 n ARG 54 Cb 0.39 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.26 2pu7 n ARG 54 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pu7 n ASN 55 N -1.07 2.52 -0.22 0.55 4.13 0.79 -4.67 115.26 117.29 2pu7 n ASN 55 Ca 0.12 -0.03 -0.04 0.00 1.68 0.00 0.00 54.58 56.32 2pu7 n ASN 55 Cb 0.29 0.40 0.07 0.00 -1.54 0.00 0.00 39.78 39.00 2pu7 n ASN 55 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 2pu7 h VAL 56 N 0.00 1.06 0.88 2.41 3.04 -1.55 -2.30 116.25 119.79 2pu7 h VAL 56 Ca -0.30 -0.25 -0.04 0.00 -1.01 0.00 0.00 66.70 65.09 2pu7 h VAL 56 Cb 1.61 0.26 0.01 0.00 -2.01 0.00 0.00 31.29 31.16 2pu7 h VAL 56 CO -0.01 0.13 -0.42 1.23 -1.01 0.00 0.00 177.57 177.49 2pu7 h GLY 57 N 0.73 -1.24 0.42 3.17 0.00 -1.85 0.71 103.07 105.02 2pu7 h GLY 57 Ca 0.26 0.46 0.17 0.00 0.00 0.00 0.00 47.33 48.22 2pu7 h GLY 57 CO -0.12 -0.45 0.58 -2.55 0.00 0.00 0.00 176.54 174.00 2pu7 h PRO 58 N -1.21 0.53 -0.22 4.80 0.11 -1.81 0.15 132.00 134.35 2pu7 h PRO 58 Ca -0.12 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.80 2pu7 h PRO 58 Cb 0.91 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2pu7 h PRO 58 CO 0.20 0.35 -0.46 0.74 -0.21 0.00 0.00 178.00 178.62 2pu7 h PHE 59 N 0.54 0.89 -0.52 0.65 -1.00 -1.15 -0.42 116.94 115.93 2pu7 h PHE 59 Ca 0.46 -0.33 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 2pu7 h PHE 59 Cb 0.94 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.32 2pu7 h PHE 59 CO -0.00 1.11 0.21 0.28 -1.61 0.00 0.00 178.31 178.29 2pu7 h VAL 60 N 0.42 1.22 -0.70 -0.55 2.07 -0.55 -1.75 116.25 116.41 2pu7 h VAL 60 Ca 0.01 -0.68 0.09 0.00 0.82 0.00 0.00 66.70 66.94 2pu7 h VAL 60 Cb 1.07 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 2pu7 h VAL 60 CO 0.10 0.26 0.46 0.44 0.02 0.00 0.00 177.57 178.85 2pu7 h ASP 61 N 0.71 0.52 0.17 0.57 3.32 -0.56 0.78 116.42 121.94 2pu7 h ASP 61 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2pu7 h ASP 61 Cb 0.21 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2pu7 h ASP 61 CO -0.01 0.32 -0.00 0.00 -1.72 0.00 0.00 179.24 177.82 2pu7 n ALA 62 N -2.48 2.63 0.00 3.45 0.00 -0.18 -4.89 120.51 119.04 2pu7 n ALA 62 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2pu7 n ALA 62 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2pu7 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pu7 n GLY 63 N 1.09 0.90 3.90 0.00 0.00 0.27 -5.07 105.19 106.27 2pu7 n GLY 63 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2pu7 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pu7 s TYR 64 N -2.00 3.47 -0.26 1.61 2.02 -0.71 -3.03 117.35 118.45 2pu7 s TYR 64 Ca 0.00 0.75 -0.22 0.00 -0.37 0.00 0.00 57.07 57.23 2pu7 s TYR 64 Cb 0.00 -2.19 -0.01 0.00 -0.40 0.00 0.00 41.96 39.35 2pu7 s TYR 64 CO 0.00 0.12 0.69 0.50 -1.57 0.00 0.00 175.55 175.29 2pu7 s ARG 65 N -3.54 4.11 -0.12 -0.62 3.52 0.12 -4.05 118.95 118.37 2pu7 s ARG 65 Ca 0.46 0.64 -0.02 0.00 -0.13 0.00 0.00 55.73 56.67 2pu7 s ARG 65 Cb -0.11 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 2pu7 s ARG 65 CO 0.29 -0.47 -0.04 0.08 -0.81 0.00 0.00 175.30 174.36 2pu7 s VAL 66 N 2.63 3.90 -0.16 7.11 1.01 0.28 -0.44 120.40 134.72 2pu7 s VAL 66 Ca 0.29 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2pu7 s VAL 66 Cb -0.15 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.59 2pu7 s VAL 66 CO 0.09 0.53 -0.12 -0.63 0.00 0.00 0.00 175.10 174.97 2pu7 s ILE 67 N -0.09 1.55 -0.51 2.22 1.01 -0.32 -1.99 121.20 123.07 2pu7 s ILE 67 Ca 0.02 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 2pu7 s ILE 67 Cb -0.13 -1.53 0.10 0.00 0.01 0.00 0.00 42.46 40.91 2pu7 s ILE 67 CO 0.03 0.35 0.46 -0.76 0.00 0.00 0.00 174.94 175.02 2pu7 s LEU 68 N 1.47 5.88 -0.06 2.97 1.43 0.20 -0.66 118.68 129.91 2pu7 s LEU 68 Ca 0.03 -1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 51.39 2pu7 s LEU 68 Cb -0.14 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2pu7 s LEU 68 CO -0.10 -0.77 0.52 -0.75 0.23 0.00 0.00 176.35 175.48 2pu7 s LYS 69 N 1.68 4.29 -0.26 1.70 2.20 -0.98 -0.75 119.74 127.62 2pu7 s LYS 69 Ca 0.04 0.57 -0.26 0.00 -0.36 0.00 0.00 55.97 55.96 2pu7 s LYS 69 Cb -0.27 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 2pu7 s LYS 69 CO 0.05 0.29 0.90 -0.51 -0.36 0.00 0.00 175.35 175.72 2pu7 s ASP 70 N 0.15 6.88 0.65 1.43 1.01 -0.40 -4.07 116.67 122.31 2pu7 s ASP 70 Ca 0.28 1.05 -0.17 0.00 0.71 0.00 0.00 52.55 54.43 2pu7 s ASP 70 Cb -0.17 -2.47 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 2pu7 s ASP 70 CO 0.14 -0.62 1.17 -0.44 0.21 0.00 0.00 175.17 175.62 2pu7 s SER 71 N 1.40 4.94 0.26 0.27 0.01 -1.26 -4.53 113.70 114.79 2pu7 s SER 71 Ca 0.38 2.23 -0.29 0.00 1.31 0.00 0.00 55.95 59.57 2pu7 s SER 71 Cb -0.15 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.36 2pu7 s SER 71 CO 0.09 -1.75 1.09 -2.65 0.41 0.00 0.00 173.24 170.42 2pu7 n PRO 72 N -2.14 1.40 -1.08 12.44 -0.02 -1.26 -0.69 135.00 143.65 2pu7 n PRO 72 Ca 0.12 0.49 -0.03 0.00 -2.02 0.00 0.00 63.50 62.07 2pu7 n PRO 72 Cb 0.51 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 32.05 2pu7 n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pu7 n GLY 73 N 1.45 0.57 3.26 -1.23 0.00 0.87 -4.90 105.19 105.22 2pu7 n GLY 73 Ca 0.11 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 2pu7 n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pu7 s PHE 74 N -1.95 1.78 0.00 1.61 0.08 0.13 -4.82 117.98 114.81 2pu7 s PHE 74 Ca 0.00 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.66 2pu7 s PHE 74 Cb 0.00 -1.02 0.00 0.00 -0.57 0.00 0.00 43.02 41.43 2pu7 s PHE 74 CO 0.00 0.14 0.00 -1.71 -0.10 0.00 0.00 175.22 173.55 2pu7 n ASN 75 N 1.49 0.00 -0.89 1.36 5.15 -1.25 -0.93 115.26 120.19 2pu7 n ASN 75 Ca -0.18 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 53.90 2pu7 n ASN 75 Cb 0.53 0.00 0.27 0.00 -0.53 0.00 0.00 39.78 40.06 2pu7 n ASN 75 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2pu7 n LYS 76 N 14.00 2.14 -2.04 1.20 5.02 -1.26 -4.88 118.16 132.34 2pu7 n LYS 76 Ca 0.00 -1.74 -0.30 0.00 -2.02 0.00 0.00 58.31 54.25 2pu7 n LYS 76 Cb 0.00 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 33.58 2pu7 n LYS 76 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2pu7 s SER 77 N -1.34 6.24 0.56 4.39 0.01 -0.11 -4.20 113.70 119.25 2pu7 s SER 77 Ca 0.35 1.31 -0.20 0.00 1.31 0.00 0.00 55.95 58.72 2pu7 s SER 77 Cb 0.19 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.95 2pu7 s SER 77 CO 0.27 -0.80 1.07 0.47 0.41 0.00 0.00 173.24 174.65 2pu7 n ASP 78 N -2.64 1.30 -4.74 2.44 8.00 0.84 -4.35 116.55 117.40 2pu7 n ASP 78 Ca 0.05 0.88 -0.33 0.00 0.71 0.00 0.00 54.79 56.10 2pu7 n ASP 78 Cb 0.54 -1.43 0.08 0.00 -0.02 0.00 0.00 41.12 40.30 2pu7 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pu7 s ALA 79 N -1.42 2.19 -0.17 2.24 0.00 -1.26 -0.09 121.76 123.25 2pu7 s ALA 79 Ca 0.73 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 2pu7 s ALA 79 Cb -0.44 -3.39 0.11 0.00 0.00 0.00 0.00 23.12 19.40 2pu7 s ALA 79 CO 0.49 -1.74 0.92 0.54 0.00 0.00 0.00 175.76 175.97 2pu7 s VAL 80 N -2.28 0.00 -0.17 0.00 0.11 -1.26 -4.73 120.40 112.07 2pu7 s VAL 80 Ca 0.69 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.75 2pu7 s VAL 80 Cb -0.24 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.62 2pu7 s VAL 80 CO 0.46 0.00 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.36 2pu7 s VAL 81 N -0.70 2.31 -0.11 2.04 1.01 -1.26 -4.69 120.40 118.99 2pu7 s VAL 81 Ca -0.02 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 2pu7 s VAL 81 Cb -0.02 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2pu7 s VAL 81 CO 0.02 0.53 0.10 -0.04 0.00 0.00 0.00 175.10 175.70 2pu7 s MET 82 N 1.08 3.32 0.00 2.72 -1.94 -1.26 -4.97 119.30 118.25 2pu7 s MET 82 Ca -0.00 -0.21 0.14 0.00 -1.71 0.00 0.00 55.69 53.90 2pu7 s MET 82 Cb -0.14 -3.07 -0.12 0.00 2.01 0.00 0.00 34.83 33.50 2pu7 s MET 82 CO -0.06 0.75 0.63 -0.40 -0.01 0.00 0.00 175.02 175.92 2pu7 n ASP 83 N 2.06 0.81 -4.82 3.03 5.68 -1.26 -4.25 116.55 117.80 2pu7 n ASP 83 Ca -0.20 -0.90 -0.22 0.00 -0.50 0.00 0.00 54.79 52.97 2pu7 n ASP 83 Cb 0.55 0.91 -0.05 0.00 -1.14 0.00 0.00 41.12 41.38 2pu7 n ASP 83 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2pu7 s GLU 84 N -2.21 2.45 0.34 0.11 2.02 -1.26 -4.42 118.70 115.73 2pu7 s GLU 84 Ca 0.06 -1.59 -0.29 0.00 0.02 0.00 0.00 54.97 53.18 2pu7 s GLU 84 Cb 0.11 -2.26 -0.11 0.00 0.10 0.00 0.00 34.13 31.97 2pu7 s GLU 84 CO 0.53 -0.09 1.53 1.14 0.02 0.00 0.00 175.26 178.39 2pu7 s GLN 85 N -4.01 4.12 0.41 1.61 1.03 -1.26 -4.81 119.66 116.74 2pu7 s GLN 85 Ca 0.44 2.57 0.12 0.00 0.04 0.00 0.00 55.36 58.53 2pu7 s GLN 85 Cb -0.02 -2.99 0.87 0.00 0.03 0.00 0.00 33.01 30.90 2pu7 s GLN 85 CO 0.26 -0.57 1.93 0.00 -2.54 0.00 0.00 175.29 174.36 2pu7 h ARG 86 N 3.84 0.09 -0.35 9.60 3.08 -1.94 -2.70 114.38 126.00 2pu7 h ARG 86 Ca -0.49 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 2pu7 h ARG 86 Cb 1.23 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 2pu7 h ARG 86 CO 0.71 0.29 0.21 0.78 -1.07 0.00 0.00 179.97 180.89 2pu7 h GLY 87 N 0.72 0.51 0.79 0.04 0.00 -1.88 0.36 103.07 103.62 2pu7 h GLY 87 Ca 0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 2pu7 h GLY 87 CO 0.03 0.21 -0.01 -2.00 0.00 0.00 0.00 176.54 174.77 2pu7 h LEU 88 N 0.45 -0.01 -0.59 3.11 5.85 -1.77 -2.39 115.31 119.96 2pu7 h LEU 88 Ca 0.13 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2pu7 h LEU 88 Cb 0.02 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2pu7 h LEU 88 CO -0.02 0.19 0.38 0.58 -0.34 0.00 0.00 178.44 179.24 2pu7 h VAL 89 N -0.22 1.13 -0.71 1.05 2.07 -1.29 -2.18 116.25 116.10 2pu7 h VAL 89 Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2pu7 h VAL 89 Cb 0.21 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2pu7 h VAL 89 CO 0.00 0.14 0.45 0.78 0.02 0.00 0.00 177.57 178.96 2pu7 h ASN 90 N 0.78 0.83 -0.65 0.57 2.35 -0.96 -2.05 115.58 116.46 2pu7 h ASN 90 Ca 0.22 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2pu7 h ASN 90 Cb -0.07 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 2pu7 h ASN 90 CO -0.06 0.62 0.32 0.00 -1.65 0.00 0.00 177.43 176.67 2pu7 h ALA 91 N 1.52 0.83 -0.63 -0.83 0.00 -1.00 -1.09 119.26 118.07 2pu7 h ALA 91 Ca 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2pu7 h ALA 91 Cb -0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 2pu7 h ALA 91 CO -0.05 0.39 0.31 0.00 0.00 0.00 0.00 179.25 179.89 2pu7 h ARG 92 N 0.89 0.89 -0.57 0.00 3.08 -0.83 -1.90 114.38 115.94 2pu7 h ARG 92 Ca 0.22 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2pu7 h ARG 92 Cb 0.10 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2pu7 h ARG 92 CO -0.03 0.69 0.14 0.00 -1.07 0.00 0.00 179.97 179.69 2pu7 h ALA 93 N 1.45 1.17 -0.38 0.04 0.00 -0.74 0.19 119.26 120.99 2pu7 h ALA 93 Ca 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2pu7 h ALA 93 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2pu7 h ALA 93 CO -0.03 0.56 0.03 0.28 0.00 0.00 0.00 179.25 180.09 2pu7 h VAL 94 N 0.85 1.25 -0.63 0.00 2.07 -0.72 0.12 116.25 119.19 2pu7 h VAL 94 Ca 0.18 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 2pu7 h VAL 94 Cb 0.30 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2pu7 h VAL 94 CO -0.00 0.32 0.24 0.50 0.02 0.00 0.00 177.57 178.65 2pu7 h LYS 95 N 0.48 0.95 -0.35 1.57 3.64 -1.02 0.15 116.57 122.00 2pu7 h LYS 95 Ca 0.11 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2pu7 h LYS 95 Cb 0.43 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 2pu7 h LYS 95 CO 0.01 0.81 0.11 0.78 -2.27 0.00 0.00 179.45 178.90 2pu7 h GLY 96 N 0.89 0.43 0.95 5.01 0.00 -0.29 -0.49 103.07 109.58 2pu7 h GLY 96 Ca 0.21 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.49 2pu7 h GLY 96 CO -0.01 0.02 0.30 -2.00 0.00 0.00 0.00 176.54 174.85 2pu7 h LEU 97 N 0.25 0.51 -0.56 3.11 6.46 -0.37 -0.28 115.31 124.42 2pu7 h LEU 97 Ca 0.16 -0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.81 2pu7 h LEU 97 Cb 0.14 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2pu7 h LEU 97 CO -0.17 0.37 -0.04 0.24 -0.62 0.00 0.00 178.44 178.22 2pu7 h MET 98 N 0.61 1.01 -0.56 1.25 2.86 -0.37 -2.33 114.93 117.41 2pu7 h MET 98 Ca 0.18 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 2pu7 h MET 98 Cb -0.03 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2pu7 h MET 98 CO -0.06 1.02 0.14 -0.44 1.06 0.00 0.00 176.91 178.64 2pu7 h ASP 99 N 0.89 0.84 -0.67 1.22 3.32 -0.89 0.12 116.42 121.25 2pu7 h ASP 99 Ca 0.15 -0.23 0.13 0.00 0.02 0.00 0.00 57.03 57.10 2pu7 h ASP 99 Cb 0.59 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 2pu7 h ASP 99 CO 0.04 0.85 0.45 0.00 -1.72 0.00 0.00 179.24 178.86 2pu7 h ALA 100 N 1.02 2.09 -0.35 3.45 0.00 -0.80 -2.67 119.26 122.01 2pu7 h ALA 100 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pu7 h ALA 100 Cb 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2pu7 h ALA 100 CO 0.00 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.27 2pu7 n LEU 101 N -4.47 3.22 -3.57 0.00 4.77 -0.90 -4.97 117.00 111.09 2pu7 n LEU 101 Ca 0.12 -1.53 -0.20 0.00 -0.03 0.00 0.00 56.01 54.37 2pu7 n LEU 101 Cb 0.46 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 2pu7 n LEU 101 CO 0.34 0.71 0.07 0.47 -1.33 0.00 0.00 177.39 177.64 2pu7 n ASP 102 N 1.26 -2.45 -4.53 -1.43 8.00 -0.60 -4.99 116.55 111.80 2pu7 n ASP 102 Ca 0.17 -0.68 -0.38 0.00 0.71 0.00 0.00 54.79 54.60 2pu7 n ASP 102 Cb 0.54 -4.70 -0.11 0.00 -0.02 0.00 0.00 41.12 36.83 2pu7 n ASP 102 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pu7 s ILE 103 N -3.45 5.03 -0.05 0.53 1.01 0.32 -5.02 121.20 119.57 2pu7 s ILE 103 Ca 0.11 -0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.56 2pu7 s ILE 103 Cb -0.05 -3.44 -0.12 0.00 0.01 0.00 0.00 42.46 38.86 2pu7 s ILE 103 CO 0.76 0.21 0.72 -0.78 0.00 0.00 0.00 174.94 175.85 2pu7 h ASP 104 N 8.36 -0.27 -4.17 3.58 1.82 -1.94 -3.41 116.42 120.39 2pu7 h ASP 104 Ca -0.35 -0.21 -0.45 0.00 -0.39 0.00 0.00 57.03 55.64 2pu7 h ASP 104 Cb 1.18 0.07 -0.28 0.00 0.68 0.00 0.00 39.33 40.97 2pu7 h ASP 104 CO 0.58 0.25 -0.80 -0.13 -1.61 0.00 0.00 179.24 177.52 2pu7 s ARG 105 N -3.24 0.97 0.09 0.28 0.52 -1.26 -4.51 118.95 111.80 2pu7 s ARG 105 Ca -0.10 -0.48 0.07 0.00 -0.52 0.00 0.00 55.73 54.69 2pu7 s ARG 105 Cb 0.00 -0.94 -0.03 0.00 0.52 0.00 0.00 34.95 34.50 2pu7 s ARG 105 CO 0.36 0.25 -0.18 0.00 0.02 0.00 0.00 175.30 175.76 2pu7 s ALA 106 N -0.37 1.50 0.32 2.13 0.00 -0.49 -4.63 121.76 120.20 2pu7 s ALA 106 Ca 0.04 -1.12 -0.28 0.00 0.00 0.00 0.00 51.96 50.60 2pu7 s ALA 106 Cb -0.05 -0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 2pu7 s ALA 106 CO -0.00 0.27 1.06 -1.01 0.00 0.00 0.00 175.76 176.08 2pu7 s HIS 107 N -1.21 3.52 -0.06 0.00 0.09 -0.35 -1.08 115.29 116.20 2pu7 s HIS 107 Ca 0.02 1.71 0.04 0.00 -0.00 0.00 0.00 55.06 56.83 2pu7 s HIS 107 Cb -0.10 -3.19 -0.02 0.00 -0.00 0.00 0.00 32.58 29.27 2pu7 s HIS 107 CO 0.03 -0.45 -0.18 -0.51 -0.00 0.00 0.00 174.74 173.63 2pu7 s LEU 108 N -1.84 2.49 -0.11 0.89 1.43 -0.79 0.10 118.68 120.86 2pu7 s LEU 108 Ca 0.49 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 2pu7 s LEU 108 Cb -0.28 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2pu7 s LEU 108 CO 0.35 0.30 -0.20 -0.69 0.23 0.00 0.00 176.35 176.34 2pu7 s VAL 109 N -0.45 1.80 -0.21 -1.59 1.01 -0.28 0.03 120.40 120.70 2pu7 s VAL 109 Ca 0.05 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 2pu7 s VAL 109 Cb -0.12 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 34.74 2pu7 s VAL 109 CO 0.02 0.50 0.53 -0.83 0.00 0.00 0.00 175.10 175.32 2pu7 s GLY 110 N 0.63 -0.44 -0.06 4.51 0.00 -0.17 -0.78 107.32 111.03 2pu7 s GLY 110 Ca -0.13 1.75 -0.04 0.00 0.00 0.00 0.00 44.72 46.30 2pu7 s GLY 110 CO 0.03 1.72 0.14 0.54 0.00 0.00 0.00 173.10 175.54 2pu7 s ASN 111 N 1.03 6.25 0.47 1.64 4.22 -1.15 -1.12 114.94 126.28 2pu7 s ASN 111 Ca -0.06 0.37 0.00 0.00 -2.14 0.00 0.00 52.86 51.03 2pu7 s ASN 111 Cb -0.06 -1.96 0.00 0.00 1.28 0.00 0.00 41.25 40.51 2pu7 s ASN 111 CO -0.09 0.33 0.00 0.00 -2.04 0.00 0.00 177.10 175.30 2pu7 n ALA 112 N 1.47 0.00 -0.33 3.54 0.00 -0.42 0.35 120.51 125.11 2pu7 n ALA 112 Ca -0.15 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.43 2pu7 n ALA 112 Cb 0.54 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.32 2pu7 n ALA 112 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2pu7 h MET 113 N 0.00 0.58 -0.18 0.00 1.85 -1.86 0.80 114.93 116.13 2pu7 h MET 113 Ca 0.00 -0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 58.99 2pu7 h MET 113 Cb 0.00 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 31.89 2pu7 h MET 113 CO 0.00 0.38 -0.18 0.78 -0.40 0.00 0.00 176.91 177.49 2pu7 h GLY 114 N 0.60 0.32 0.99 1.39 0.00 0.57 0.93 103.07 107.86 2pu7 h GLY 114 Ca 0.59 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 2pu7 h GLY 114 CO -0.45 0.20 -0.01 -1.33 0.00 0.00 0.00 176.54 174.95 2pu7 h GLY 115 N 0.88 -0.04 0.27 4.60 0.00 -0.76 0.30 103.07 108.32 2pu7 h GLY 115 Ca 0.05 0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.53 2pu7 h GLY 115 CO 0.03 -0.02 0.41 0.00 0.00 0.00 0.00 176.54 176.96 2pu7 h ALA 116 N 0.92 1.19 0.22 3.60 0.00 -0.87 0.30 119.26 124.62 2pu7 h ALA 116 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2pu7 h ALA 116 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pu7 h ALA 116 CO 0.01 -0.09 -0.11 1.15 0.00 0.00 0.00 179.25 180.21 2pu7 h THR 117 N 0.61 0.78 -0.67 0.00 2.02 -0.33 -0.58 112.91 114.74 2pu7 h THR 117 Ca 0.43 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.63 2pu7 h THR 117 Cb 0.58 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 2pu7 h THR 117 CO -0.35 0.00 0.43 0.00 0.37 0.00 0.00 175.52 175.97 2pu7 h ALA 118 N 0.49 0.86 -0.04 6.16 0.00 0.13 -0.80 119.26 126.06 2pu7 h ALA 118 Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2pu7 h ALA 118 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2pu7 h ALA 118 CO 0.05 0.23 -0.07 -0.07 0.00 0.00 0.00 179.25 179.39 2pu7 h LEU 119 N 0.86 -0.20 -0.96 0.00 3.38 -0.16 -0.90 115.31 117.34 2pu7 h LEU 119 Ca 0.26 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2pu7 h LEU 119 Cb -0.05 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2pu7 h LEU 119 CO -0.08 -0.10 0.32 0.78 0.09 0.00 0.00 178.44 179.45 2pu7 h ASN 120 N -0.10 0.97 -0.38 -0.43 2.35 -0.84 -2.16 115.58 114.99 2pu7 h ASN 120 Ca 0.04 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2pu7 h ASN 120 Cb 0.16 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2pu7 h ASN 120 CO -0.10 0.85 0.20 0.15 -1.65 0.00 0.00 177.43 176.88 2pu7 h PHE 121 N 1.05 0.53 -0.58 1.19 3.57 -0.99 0.41 116.94 122.12 2pu7 h PHE 121 Ca 0.25 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2pu7 h PHE 121 Cb 0.16 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 2pu7 h PHE 121 CO 0.01 0.43 0.31 0.00 -2.23 0.00 0.00 178.31 176.83 2pu7 h ALA 122 N 1.05 1.46 0.07 2.41 0.00 -0.75 0.15 119.26 123.66 2pu7 h ALA 122 Ca 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pu7 h ALA 122 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2pu7 h ALA 122 CO -0.02 0.45 -0.04 -0.07 0.00 0.00 0.00 179.25 179.57 2pu7 h LEU 123 N 0.80 -0.08 -0.48 0.00 3.38 -1.19 -3.14 115.31 114.60 2pu7 h LEU 123 Ca 0.20 -0.46 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 2pu7 h LEU 123 Cb 0.03 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2pu7 h LEU 123 CO -0.03 0.45 -0.39 -0.33 0.09 0.00 0.00 178.44 178.23 2pu7 h GLU 124 N -0.66 0.83 -2.09 1.13 4.39 -0.84 -3.39 114.58 113.95 2pu7 h GLU 124 Ca -0.01 -0.43 -0.58 0.00 0.34 0.00 0.00 59.36 58.68 2pu7 h GLU 124 Cb 0.54 0.01 -0.40 0.00 -0.10 0.00 0.00 28.75 28.80 2pu7 h GLU 124 CO 0.02 1.07 -0.87 0.66 -1.16 0.00 0.00 179.01 178.72 2pu7 n TYR 125 N -4.05 1.52 0.25 4.33 4.01 0.53 -4.94 117.16 118.81 2pu7 n TYR 125 Ca -0.02 -3.84 0.13 0.00 -0.16 0.00 0.00 57.90 54.01 2pu7 n TYR 125 Cb 0.54 -0.45 0.66 0.00 -0.31 0.00 0.00 39.34 39.78 2pu7 n TYR 125 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2pu7 h PRO 126 N 4.02 0.00 0.00 -0.72 0.13 -1.73 -1.58 132.00 132.11 2pu7 h PRO 126 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2pu7 h PRO 126 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2pu7 h PRO 126 CO 0.64 0.14 0.00 -0.40 -0.23 0.00 0.00 178.00 178.15 2pu7 n ASP 127 N -3.49 0.26 -0.65 1.44 5.75 -1.26 -3.80 116.55 114.80 2pu7 n ASP 127 Ca -0.01 0.54 0.06 0.00 -0.01 0.00 0.00 54.79 55.37 2pu7 n ASP 127 Cb 0.30 -0.60 0.14 0.00 -1.03 0.00 0.00 41.12 39.92 2pu7 n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2pu7 n ARG 128 N -1.76 2.27 -4.75 0.11 5.12 -0.60 -4.79 116.66 112.27 2pu7 n ARG 128 Ca 0.05 -1.87 -0.31 0.00 -1.93 0.00 0.00 57.85 53.79 2pu7 n ARG 128 Cb 0.29 -1.28 -0.13 0.00 -1.16 0.00 0.00 32.46 30.18 2pu7 n ARG 128 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2pu7 s ILE 129 N -1.01 2.75 0.00 0.55 2.07 -1.24 -1.40 121.20 122.93 2pu7 s ILE 129 Ca 0.23 -1.12 0.00 0.00 -1.41 0.00 0.00 60.65 58.35 2pu7 s ILE 129 Cb 0.13 -2.13 0.00 0.00 0.13 0.00 0.00 42.46 40.59 2pu7 s ILE 129 CO 0.17 0.40 0.00 0.61 -1.91 0.00 0.00 174.94 174.21 2pu7 n GLY 130 N 1.74 0.73 3.88 1.50 0.00 -0.24 -4.78 105.19 108.01 2pu7 n GLY 130 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2pu7 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pu7 s LYS 131 N 0.95 3.78 -0.18 1.61 1.02 -1.26 -4.48 119.74 121.18 2pu7 s LYS 131 Ca 0.00 0.25 -0.02 0.00 0.02 0.00 0.00 55.97 56.22 2pu7 s LYS 131 Cb 0.00 -2.64 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 2pu7 s LYS 131 CO 0.00 0.30 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.46 2pu7 s LEU 132 N -2.90 2.70 -0.16 3.17 2.96 -0.72 -1.89 118.68 121.83 2pu7 s LEU 132 Ca 0.47 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2pu7 s LEU 132 Cb -0.11 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.95 2pu7 s LEU 132 CO 0.22 0.04 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.48 2pu7 s ILE 133 N 1.08 1.91 -0.11 6.68 1.09 0.10 -0.58 121.20 131.38 2pu7 s ILE 133 Ca 0.00 -0.86 0.04 0.00 -1.10 0.00 0.00 60.65 58.73 2pu7 s ILE 133 Cb -0.15 -1.73 0.00 0.00 -1.06 0.00 0.00 42.46 39.53 2pu7 s ILE 133 CO -0.02 0.52 -0.23 -0.76 -0.10 0.00 0.00 174.94 174.34 2pu7 s LEU 134 N 1.18 2.08 -0.27 2.97 1.43 -0.01 -1.00 118.68 125.07 2pu7 s LEU 134 Ca 0.01 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2pu7 s LEU 134 Cb -0.14 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.74 2pu7 s LEU 134 CO -0.09 0.14 -0.08 -0.04 0.23 0.00 0.00 176.35 176.52 2pu7 s MET 135 N 0.43 2.37 -1.46 1.70 -1.94 -0.28 0.48 119.30 120.61 2pu7 s MET 135 Ca -0.17 -1.28 -0.03 0.00 -1.71 0.00 0.00 55.69 52.51 2pu7 s MET 135 Cb -0.17 -2.98 0.00 0.00 2.01 0.00 0.00 34.83 33.69 2pu7 s MET 135 CO 0.07 -0.56 0.23 0.41 -0.01 0.00 0.00 175.02 175.16 2pu7 n GLY 136 N 4.52 -0.23 3.74 -0.03 0.00 -0.36 -1.30 105.19 111.53 2pu7 n GLY 136 Ca -0.14 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2pu7 n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pu7 n PRO 137 N -4.54 2.69 -1.33 1.61 -0.04 -1.26 -2.18 135.00 129.95 2pu7 n PRO 137 Ca -0.30 0.96 -0.19 0.00 -0.04 0.00 0.00 63.50 63.93 2pu7 n PRO 137 Cb 0.68 -2.74 0.13 0.00 -0.04 0.00 0.00 33.50 31.53 2pu7 n PRO 137 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pu7 n GLY 138 N 2.21 -1.11 0.11 0.55 0.00 -0.35 -4.65 105.19 101.96 2pu7 n GLY 138 Ca 0.09 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2pu7 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pu7 n GLY 139 N -0.62 3.02 1.23 -0.02 0.00 -1.26 -4.10 105.19 103.45 2pu7 n GLY 139 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2pu7 n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pu7 n LEU 140 N 0.00 1.50 0.00 0.99 4.77 -1.26 -1.78 117.00 121.22 2pu7 n LEU 140 Ca 0.00 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 2pu7 n LEU 140 Cb 0.00 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2pu7 n LEU 140 CO 0.00 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2pu7 n GLY 141 N 1.09 -0.77 3.77 -0.72 0.00 -1.26 -4.85 105.19 102.44 2pu7 n GLY 141 Ca 0.00 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 2pu7 n GLY 141 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pu7 s PRO 142 N 0.00 4.18 0.42 1.61 0.04 -1.26 -5.04 135.00 134.95 2pu7 s PRO 142 Ca 0.00 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 62.86 2pu7 s PRO 142 Cb 0.00 -2.88 -0.09 0.00 0.04 0.00 0.00 34.50 31.57 2pu7 s PRO 142 CO 0.00 -0.27 1.02 0.45 0.04 0.00 0.00 177.00 178.24 2pu7 s SER 143 N -0.79 6.72 0.15 6.66 0.15 -1.26 -4.97 113.70 120.36 2pu7 s SER 143 Ca 0.53 1.94 0.22 0.00 0.70 0.00 0.00 55.95 59.35 2pu7 s SER 143 Cb -0.36 -2.57 0.89 0.00 -1.71 0.00 0.00 66.02 62.27 2pu7 s SER 143 CO 0.46 -0.52 1.69 0.23 1.20 0.00 0.00 173.24 176.30 2pu7 n MET 144 N -0.34 0.14 0.00 5.44 2.81 -1.26 -4.43 117.12 119.47 2pu7 n MET 144 Ca 0.06 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 2pu7 n MET 144 Cb 0.51 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 2pu7 n MET 144 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2pu7 n PHE 145 N -1.97 0.00 -2.93 2.03 3.72 -1.26 -5.07 117.46 111.98 2pu7 n PHE 145 Ca 0.04 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 2pu7 n PHE 145 Cb 0.27 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.76 2pu7 n PHE 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pu7 s ALA 146 N -1.43 3.61 0.47 4.37 0.00 -1.26 -5.04 121.76 122.49 2pu7 s ALA 146 Ca 0.00 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.59 2pu7 s ALA 146 Cb 0.00 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 2pu7 s ALA 146 CO 0.00 -0.83 1.12 -2.30 0.00 0.00 0.00 175.76 173.75 2pu7 n PRO 147 N 5.73 1.46 -4.37 0.00 -0.02 -1.26 -4.45 135.00 132.10 2pu7 n PRO 147 Ca 0.04 0.53 -0.19 0.00 -2.02 0.00 0.00 63.50 61.86 2pu7 n PRO 147 Cb 0.48 -2.23 -0.14 0.00 -0.02 0.00 0.00 33.50 31.59 2pu7 n PRO 147 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2pu7 s MET 148 N -2.33 0.86 0.39 -0.52 -1.94 -1.26 -3.92 119.30 110.59 2pu7 s MET 148 Ca 0.66 -0.60 -0.27 0.00 -1.71 0.00 0.00 55.69 53.77 2pu7 s MET 148 Cb -0.49 -0.83 -0.10 0.00 2.01 0.00 0.00 34.83 35.42 2pu7 s MET 148 CO 0.54 0.21 1.40 -1.25 -0.01 0.00 0.00 175.02 175.91 2pu7 s PRO 149 N -0.81 4.02 0.84 2.03 0.04 -1.26 -5.14 135.00 134.72 2pu7 s PRO 149 Ca 0.02 2.38 -0.12 0.00 0.04 0.00 0.00 61.00 63.31 2pu7 s PRO 149 Cb -0.06 -2.87 0.10 0.00 0.04 0.00 0.00 34.50 31.71 2pu7 s PRO 149 CO 0.00 -0.53 1.19 -1.64 0.04 0.00 0.00 177.00 176.06 2pu7 s MET 150 N -2.15 1.44 0.25 4.56 -1.94 -1.25 -4.77 119.30 115.43 2pu7 s MET 150 Ca 0.55 1.69 -0.04 0.00 -1.71 0.00 0.00 55.69 56.17 2pu7 s MET 150 Cb -0.43 -1.76 0.48 0.00 2.01 0.00 0.00 34.83 35.14 2pu7 s MET 150 CO 0.56 -2.35 1.68 1.49 -0.01 0.00 0.00 175.02 176.40 2pu7 h GLU 151 N -1.22 0.26 0.00 2.03 4.81 -1.85 -1.33 114.58 117.29 2pu7 h GLU 151 Ca -0.45 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 2pu7 h GLU 151 Cb 1.29 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 2pu7 h GLU 151 CO 0.45 0.17 -0.15 0.78 -0.73 0.00 0.00 179.01 179.53 2pu7 h GLY 152 N 0.27 0.00 0.52 1.92 0.00 -1.14 -2.77 103.07 101.88 2pu7 h GLY 152 Ca 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 2pu7 h GLY 152 CO -0.52 0.00 -0.00 -2.22 0.00 0.00 0.00 176.54 173.80 2pu7 h ILE 153 N 0.00 1.38 -0.56 2.60 1.08 -1.49 0.11 117.51 120.64 2pu7 h ILE 153 Ca -0.00 -1.14 0.10 0.00 -0.39 0.00 0.00 64.86 63.43 2pu7 h ILE 153 Cb 0.87 2.15 -0.08 0.00 -3.07 0.00 0.00 36.82 36.69 2pu7 h ILE 153 CO 0.02 0.30 0.13 0.11 -0.69 0.00 0.00 178.15 178.01 2pu7 h LYS 154 N -0.47 0.26 -0.50 2.37 1.57 -1.37 -0.04 116.57 118.39 2pu7 h LYS 154 Ca 0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2pu7 h LYS 154 Cb 0.49 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2pu7 h LYS 154 CO 0.00 0.17 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.96 2pu7 h LEU 155 N 0.27 0.83 -0.59 2.94 3.38 -1.45 -0.04 115.31 120.65 2pu7 h LEU 155 Ca 0.28 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2pu7 h LEU 155 Cb 0.40 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 2pu7 h LEU 155 CO -0.35 0.91 0.29 0.25 0.09 0.00 0.00 178.44 179.63 2pu7 h LEU 156 N 0.79 0.39 -0.26 1.67 6.46 0.18 -0.82 115.31 123.72 2pu7 h LEU 156 Ca 0.15 0.05 -0.15 0.00 -0.12 0.00 0.00 57.88 57.80 2pu7 h LEU 156 Cb 0.51 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2pu7 h LEU 156 CO 0.03 0.25 -0.43 -0.26 -0.62 0.00 0.00 178.44 177.40 2pu7 h PHE 157 N 0.53 0.93 -0.41 1.25 0.04 -0.47 -1.38 116.94 117.42 2pu7 h PHE 157 Ca 0.28 -0.32 0.07 0.00 2.80 0.00 0.00 57.97 60.80 2pu7 h PHE 157 Cb 0.24 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.15 2pu7 h PHE 157 CO -0.11 1.11 0.04 -0.22 -0.60 0.00 0.00 178.31 178.52 2pu7 h LYS 158 N 0.48 0.15 -0.40 1.51 3.64 -0.94 -1.96 116.57 119.04 2pu7 h LYS 158 Ca 0.02 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2pu7 h LYS 158 Cb 1.03 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 2pu7 h LYS 158 CO 0.10 0.10 0.17 1.25 -2.27 0.00 0.00 179.45 178.80 2pu7 h LEU 159 N 0.15 0.55 -0.95 5.20 5.85 -0.99 0.20 115.31 125.32 2pu7 h LEU 159 Ca 0.20 -0.16 0.21 0.00 0.84 0.00 0.00 57.88 58.97 2pu7 h LEU 159 Cb 0.27 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.05 2pu7 h LEU 159 CO -0.30 0.55 0.51 1.88 -0.34 0.00 0.00 178.44 180.74 2pu7 h TYR 160 N 0.51 0.88 0.10 1.25 -1.99 -1.05 -2.12 116.97 114.56 2pu7 h TYR 160 Ca 0.14 0.04 -0.36 0.00 2.00 0.00 0.00 58.73 60.54 2pu7 h TYR 160 Cb 0.17 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.63 2pu7 h TYR 160 CO -0.00 0.10 -1.99 0.00 -0.00 0.00 0.00 178.16 176.26 2pu7 n ALA 161 N -2.39 0.99 -3.58 3.88 0.00 -0.76 -4.52 120.51 114.14 2pu7 n ALA 161 Ca 0.23 -0.64 -0.27 0.00 0.00 0.00 0.00 53.44 52.76 2pu7 n ALA 161 Cb 0.62 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.30 2pu7 n ALA 161 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pu7 n GLU 162 N -3.41 1.61 -2.09 0.00 1.02 0.66 -5.11 120.64 113.32 2pu7 n GLU 162 Ca -0.31 -4.15 -0.41 0.00 -0.02 0.00 0.00 57.16 52.27 2pu7 n GLU 162 Cb 1.05 -2.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 2pu7 n GLU 162 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2pu7 s PRO 163 N -1.46 4.31 0.04 3.49 0.04 -0.80 -4.58 135.00 136.04 2pu7 s PRO 163 Ca 0.32 2.20 -0.27 0.00 0.04 0.00 0.00 61.00 63.29 2pu7 s PRO 163 Cb 0.06 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 31.53 2pu7 s PRO 163 CO -0.12 -0.38 0.76 -1.54 0.04 0.00 0.00 177.00 175.76 2pu7 s SER 164 N 0.50 -0.48 0.29 6.66 1.04 -1.26 -5.03 113.70 115.42 2pu7 s SER 164 Ca 0.60 0.11 0.01 0.00 0.48 0.00 0.00 55.95 57.14 2pu7 s SER 164 Cb -0.40 0.48 0.44 0.00 0.10 0.00 0.00 66.02 66.64 2pu7 s SER 164 CO 0.39 -0.74 1.80 0.22 0.98 0.00 0.00 173.24 175.89 2pu7 h TYR 165 N 2.15 0.70 -0.41 5.02 3.20 -1.98 -0.42 116.97 125.22 2pu7 h TYR 165 Ca -0.27 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.43 2pu7 h TYR 165 Cb 1.25 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 2pu7 h TYR 165 CO 0.26 0.68 -0.06 1.49 -1.64 0.00 0.00 178.16 178.89 2pu7 h GLU 166 N 0.62 0.76 -0.15 1.82 4.57 -1.98 -0.66 114.58 119.57 2pu7 h GLU 166 Ca 0.12 -0.28 -0.14 0.00 -1.18 0.00 0.00 59.36 57.88 2pu7 h GLU 166 Cb 0.43 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2pu7 h GLU 166 CO 0.02 0.88 -0.52 1.15 -1.18 0.00 0.00 179.01 179.35 2pu7 h THR 167 N 0.58 1.34 -0.14 0.32 2.02 -1.86 -1.76 112.91 113.40 2pu7 h THR 167 Ca 0.11 -1.78 0.02 0.00 0.77 0.00 0.00 66.41 65.53 2pu7 h THR 167 Cb 0.57 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 2pu7 h THR 167 CO 0.03 0.54 0.01 0.25 0.37 0.00 0.00 175.52 176.72 2pu7 h LEU 168 N 0.32 -0.04 -0.42 2.58 5.85 -0.82 -0.79 115.31 122.00 2pu7 h LEU 168 Ca 0.01 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2pu7 h LEU 168 Cb 1.03 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2pu7 h LEU 168 CO 0.09 -0.00 0.23 0.50 -0.34 0.00 0.00 178.44 178.92 2pu7 h LYS 169 N 0.06 0.46 -0.63 1.25 3.64 -0.93 -0.44 116.57 119.97 2pu7 h LYS 169 Ca 0.07 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2pu7 h LYS 169 Cb 0.08 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 2pu7 h LYS 169 CO -0.11 0.30 0.28 1.96 -2.27 0.00 0.00 179.45 179.61 2pu7 h GLN 170 N 0.47 0.49 -0.03 1.90 4.20 -1.09 0.05 115.11 121.10 2pu7 h GLN 170 Ca 0.17 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 2pu7 h GLN 170 Cb 0.04 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 2pu7 h GLN 170 CO -0.09 0.32 0.01 1.98 -0.67 0.00 0.00 178.83 180.38 2pu7 h MET 171 N 0.50 0.04 -0.54 1.46 4.05 -0.49 -2.78 114.93 117.17 2pu7 h MET 171 Ca 0.31 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.71 2pu7 h MET 171 Cb 0.33 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.09 2pu7 h MET 171 CO -0.26 0.17 0.30 -0.07 0.23 0.00 0.00 176.91 177.27 2pu7 h LEU 172 N -0.10 0.65 -2.24 3.39 3.38 -0.71 -0.58 115.31 119.11 2pu7 h LEU 172 Ca 0.01 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2pu7 h LEU 172 Cb 0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2pu7 h LEU 172 CO -0.00 0.52 0.03 1.56 0.09 0.00 0.00 178.44 180.64 2pu7 h GLN 173 N 0.74 0.00 0.08 1.13 4.20 -0.78 -1.95 115.11 118.54 2pu7 h GLN 173 Ca 0.19 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.58 2pu7 h GLN 173 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2pu7 h GLN 173 CO -0.03 0.00 -1.72 0.28 -0.67 0.00 0.00 178.83 176.69 2pu7 h VAL 174 N 0.00 0.91 0.00 -0.54 2.07 -0.89 -3.35 116.25 114.45 2pu7 h VAL 174 Ca 0.02 -2.64 -0.03 0.00 0.82 0.00 0.00 66.70 64.87 2pu7 h VAL 174 Cb 0.08 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2pu7 h VAL 174 CO -0.00 0.74 -0.13 -0.26 0.02 0.00 0.00 177.57 177.94 2pu7 h PHE 175 N 0.05 0.00 -3.50 1.57 -1.00 -0.64 -3.42 116.94 110.00 2pu7 h PHE 175 Ca -0.31 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 59.81 2pu7 h PHE 175 Cb 2.02 0.00 -0.25 0.00 3.61 0.00 0.00 35.95 41.32 2pu7 h PHE 175 CO 0.05 0.13 -0.76 -0.51 -1.61 0.00 0.00 178.31 175.61 2pu7 s LEU 176 N -8.65 2.77 -0.00 1.54 1.43 -0.79 0.28 118.68 115.25 2pu7 s LEU 176 Ca -0.04 -0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.55 2pu7 s LEU 176 Cb 0.16 -1.61 -0.15 0.00 0.03 0.00 0.00 46.19 44.62 2pu7 s LEU 176 CO 0.68 0.22 1.06 0.22 0.23 0.00 0.00 176.35 178.76 2pu7 h TYR 177 N 6.32 -0.52 -3.08 0.29 3.20 -1.86 -3.41 116.97 117.92 2pu7 h TYR 177 Ca -0.32 -0.01 -0.55 0.00 3.14 0.00 0.00 58.73 60.99 2pu7 h TYR 177 Cb 1.20 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.57 2pu7 h TYR 177 CO 0.51 -0.20 1.00 0.34 -1.64 0.00 0.00 178.16 178.17 2pu7 s ASP 178 N -4.93 6.39 0.40 -2.11 -1.08 -1.26 -4.91 116.67 109.18 2pu7 s ASP 178 Ca -0.13 0.08 0.10 0.00 -0.52 0.00 0.00 52.55 52.08 2pu7 s ASP 178 Cb 0.02 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.83 2pu7 s ASP 178 CO 0.45 -1.54 1.98 1.56 0.52 0.00 0.00 175.17 178.14 2pu7 h GLN 179 N 9.74 0.53 0.00 4.34 1.08 -1.92 -2.40 115.11 126.49 2pu7 h GLN 179 Ca -0.25 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 2pu7 h GLN 179 Cb 1.06 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 2pu7 h GLN 179 CO 1.19 0.35 0.00 -1.13 -0.95 0.00 0.00 178.83 178.30 2pu7 n SER 180 N -4.48 0.00 -0.19 1.46 3.41 -1.26 -1.36 113.62 111.20 2pu7 n SER 180 Ca 0.10 -0.06 0.14 0.00 -0.26 0.00 0.00 58.87 58.79 2pu7 n SER 180 Cb 0.30 -0.15 0.54 0.00 -0.26 0.00 0.00 64.21 64.64 2pu7 n SER 180 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pu7 n LEU 181 N -1.15 0.74 -4.35 1.04 4.32 -0.90 -4.60 117.00 112.10 2pu7 n LEU 181 Ca 0.05 -0.13 -0.44 0.00 -0.02 0.00 0.00 56.01 55.47 2pu7 n LEU 181 Cb 0.05 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 2pu7 n LEU 181 CO 0.06 0.14 1.31 -0.38 -1.22 0.00 0.00 177.39 177.30 2pu7 n ILE 182 N -0.74 4.39 -1.79 -0.08 5.41 -0.47 -4.92 119.36 121.16 2pu7 n ILE 182 Ca 0.15 -4.90 -0.31 0.00 1.00 0.00 0.00 62.75 58.69 2pu7 n ILE 182 Cb 0.30 -2.47 0.03 0.00 -0.71 0.00 0.00 39.64 36.79 2pu7 n ILE 182 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2pu7 s THR 183 N 0.58 4.37 0.29 1.39 -4.23 -1.26 -4.90 115.64 111.88 2pu7 s THR 183 Ca 0.39 0.77 0.04 0.00 -1.18 0.00 0.00 61.69 61.71 2pu7 s THR 183 Cb -0.03 -3.70 0.28 0.00 1.34 0.00 0.00 72.50 70.40 2pu7 s THR 183 CO -0.01 -1.01 1.77 -0.33 -0.54 0.00 0.00 174.62 174.51 2pu7 h GLU 184 N -0.47 0.71 -0.39 3.99 4.39 -1.99 -1.71 114.58 119.12 2pu7 h GLU 184 Ca -0.44 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.24 2pu7 h GLU 184 Cb 1.20 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 2pu7 h GLU 184 CO 0.61 0.47 0.21 1.49 -1.16 0.00 0.00 179.01 180.64 2pu7 h GLU 185 N 0.74 0.42 0.04 2.33 4.81 -1.98 0.31 114.58 121.24 2pu7 h GLU 185 Ca 0.54 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2pu7 h GLU 185 Cb 0.80 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2pu7 h GLU 185 CO -0.37 0.28 -0.02 1.25 -0.73 0.00 0.00 179.01 179.42 2pu7 h LEU 186 N 0.44 -0.04 -0.35 1.64 5.85 -1.80 -1.39 115.31 119.66 2pu7 h LEU 186 Ca 0.16 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2pu7 h LEU 186 Cb 0.03 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2pu7 h LEU 186 CO -0.09 0.09 0.11 -0.07 -0.34 0.00 0.00 178.44 178.14 2pu7 h LEU 187 N -0.18 0.10 -1.07 2.25 3.38 -0.94 -1.85 115.31 116.99 2pu7 h LEU 187 Ca -0.01 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2pu7 h LEU 187 Cb 0.16 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2pu7 h LEU 187 CO 0.01 0.09 -0.05 1.56 0.09 0.00 0.00 178.44 180.14 2pu7 h GLN 188 N 0.25 0.59 -0.36 1.13 4.20 -0.38 0.15 115.11 120.69 2pu7 h GLN 188 Ca 0.16 -0.16 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 2pu7 h GLN 188 Cb 0.14 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2pu7 h GLN 188 CO -0.17 0.66 -0.36 0.78 -0.67 0.00 0.00 178.83 179.06 2pu7 h GLY 189 N 0.92 0.91 1.40 3.46 0.00 -0.93 -0.38 103.07 108.45 2pu7 h GLY 189 Ca 0.11 -0.90 -0.19 0.00 0.00 0.00 0.00 47.33 46.35 2pu7 h GLY 189 CO 0.02 0.82 -0.68 -0.09 0.00 0.00 0.00 176.54 176.60 2pu7 h ARG 190 N 0.69 0.60 -0.85 4.80 9.65 -0.75 -3.01 114.38 125.52 2pu7 h ARG 190 Ca 0.06 -0.45 0.01 0.00 -1.10 0.00 0.00 59.98 58.50 2pu7 h ARG 190 Cb 0.93 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.55 2pu7 h ARG 190 CO 0.09 1.07 0.56 2.35 2.80 0.00 0.00 179.97 186.84 2pu7 h TRP 191 N 0.43 1.06 -0.48 2.20 -0.00 -0.43 -2.16 115.95 116.58 2pu7 h TRP 191 Ca -0.02 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.83 2pu7 h TRP 191 Cb 1.27 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 30.05 2pu7 h TRP 191 CO 0.06 0.67 0.06 1.49 -0.00 0.00 0.00 178.44 180.72 2pu7 h GLU 192 N 1.14 0.81 -0.48 2.65 4.57 -1.04 0.27 114.58 122.50 2pu7 h GLU 192 Ca 0.31 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2pu7 h GLU 192 Cb -0.13 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 2pu7 h GLU 192 CO -0.07 0.83 0.26 0.00 -1.18 0.00 0.00 179.01 178.85 2pu7 h ALA 193 N 0.95 1.55 0.19 2.92 0.00 -1.35 0.41 119.26 123.93 2pu7 h ALA 193 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pu7 h ALA 193 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2pu7 h ALA 193 CO 0.01 0.38 -0.09 0.82 0.00 0.00 0.00 179.25 180.37 2pu7 h ILE 194 N 0.67 0.91 -0.24 0.00 2.04 -0.96 -3.06 117.51 116.88 2pu7 h ILE 194 Ca 0.17 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 2pu7 h ILE 194 Cb 0.03 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2pu7 h ILE 194 CO -0.03 0.14 -0.12 1.56 0.00 0.00 0.00 178.15 179.70 2pu7 h GLN 195 N -0.56 0.40 0.00 2.37 4.20 -0.16 -3.08 115.11 118.28 2pu7 h GLN 195 Ca -0.03 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 2pu7 h GLN 195 Cb 0.42 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2pu7 h GLN 195 CO 0.04 0.52 -0.51 -0.09 -0.67 0.00 0.00 178.83 178.13 2pu7 h ARG 196 N 0.37 0.00 -2.07 1.46 2.43 -0.97 -3.36 114.38 112.25 2pu7 h ARG 196 Ca 0.07 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.71 2pu7 h ARG 196 Cb 0.44 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.59 2pu7 h ARG 196 CO 0.02 0.51 -1.01 1.04 -1.51 0.00 0.00 179.97 179.02 2pu7 n GLN 197 N -3.26 1.45 -0.12 0.20 3.00 -1.16 -4.93 117.38 112.55 2pu7 n GLN 197 Ca 0.02 -3.73 0.20 0.00 -0.01 0.00 0.00 57.00 53.48 2pu7 n GLN 197 Cb 0.72 -1.71 0.61 0.00 0.00 0.00 0.00 30.24 29.86 2pu7 n GLN 197 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 2pu7 h PRO 198 N 3.43 0.18 -0.91 -1.09 0.11 -1.71 -0.84 132.00 131.18 2pu7 h PRO 198 Ca 0.11 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.33 2pu7 h PRO 198 Cb 0.83 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.82 2pu7 h PRO 198 CO 0.58 0.12 0.53 1.05 -0.21 0.00 0.00 178.00 180.07 2pu7 h GLU 199 N 0.19 0.81 -0.98 1.05 9.09 -1.91 -1.90 114.58 120.92 2pu7 h GLU 199 Ca 0.36 -0.05 0.17 0.00 0.05 0.00 0.00 59.36 59.89 2pu7 h GLU 199 Cb 1.13 -0.18 -0.09 0.00 -1.65 0.00 0.00 28.75 27.96 2pu7 h GLU 199 CO -0.07 0.54 0.61 0.45 0.05 0.00 0.00 179.01 180.60 2pu7 h HIS 200 N 0.84 0.99 0.36 2.06 3.86 -1.46 0.03 115.15 121.83 2pu7 h HIS 200 Ca 0.46 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.68 2pu7 h HIS 200 Cb 0.49 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2pu7 h HIS 200 CO -0.04 0.28 -0.17 -0.07 0.86 0.00 0.00 177.93 178.78 2pu7 h LEU 201 N 0.76 -0.41 -1.03 2.43 4.07 -1.47 -1.74 115.31 117.91 2pu7 h LEU 201 Ca 0.54 -0.14 0.09 0.00 0.08 0.00 0.00 57.88 58.44 2pu7 h LEU 201 Cb 0.84 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.61 2pu7 h LEU 201 CO -0.31 -0.05 0.64 0.50 -1.08 0.00 0.00 178.44 178.14 2pu7 h LYS 202 N -0.82 1.05 -0.28 1.13 1.63 -1.43 -1.61 116.57 116.24 2pu7 h LYS 202 Ca -0.05 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.60 2pu7 h LYS 202 Cb 0.53 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2pu7 h LYS 202 CO 0.08 0.69 -0.18 -0.91 -3.45 0.00 0.00 179.45 175.69 2pu7 h ASN 203 N 1.08 0.49 -0.34 4.20 2.35 -0.84 -2.14 115.58 120.37 2pu7 h ASN 203 Ca 0.46 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 56.01 2pu7 h ASN 203 Cb 0.31 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2pu7 h ASN 203 CO -0.21 0.68 0.01 0.15 -1.65 0.00 0.00 177.43 176.42 2pu7 h PHE 204 N 0.45 0.65 -0.40 1.19 3.57 -0.38 -0.43 116.94 121.59 2pu7 h PHE 204 Ca 0.08 -0.11 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 2pu7 h PHE 204 Cb 0.57 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2pu7 h PHE 204 CO 0.02 0.70 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.53 2pu7 h LEU 205 N 0.41 0.80 0.46 0.59 3.38 -1.22 0.20 115.31 119.93 2pu7 h LEU 205 Ca 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2pu7 h LEU 205 Cb 0.44 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2pu7 h LEU 205 CO 0.02 0.99 -0.23 0.40 0.09 0.00 0.00 178.44 179.70 2pu7 h ILE 206 N 0.69 0.53 -0.80 1.22 2.04 -1.22 -2.08 117.51 117.89 2pu7 h ILE 206 Ca 0.10 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.07 2pu7 h ILE 206 Cb 0.71 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 2pu7 h ILE 206 CO 0.05 0.00 0.52 0.28 0.00 0.00 0.00 178.15 179.01 2pu7 h SER 207 N -0.63 0.61 -0.74 1.72 0.02 -0.86 -1.45 113.55 112.21 2pu7 h SER 207 Ca -0.06 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2pu7 h SER 207 Cb 0.49 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 2pu7 h SER 207 CO 0.10 0.35 0.44 0.00 -1.14 0.00 0.00 176.83 176.58 2pu7 h ALA 208 N 1.61 0.95 -0.66 3.77 0.00 -0.10 -2.01 119.26 122.82 2pu7 h ALA 208 Ca 0.38 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2pu7 h ALA 208 Cb 0.55 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2pu7 h ALA 208 CO -0.15 0.42 0.15 1.96 0.00 0.00 0.00 179.25 181.64 2pu7 h GLN 209 N 1.02 1.05 0.00 0.00 1.08 -0.62 -2.79 115.11 114.85 2pu7 h GLN 209 Ca 0.27 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2pu7 h GLN 209 Cb -0.02 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.26 2pu7 h GLN 209 CO -0.05 0.94 -0.08 0.87 -0.95 0.00 0.00 178.83 179.56 2pu7 h LYS 210 N 1.00 0.00 -1.28 1.46 1.57 -0.93 -3.40 116.57 115.00 2pu7 h LYS 210 Ca 0.21 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.82 2pu7 h LYS 210 Cb 0.36 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.45 2pu7 h LYS 210 CO 0.00 0.08 -0.53 0.00 -0.57 0.00 0.00 179.45 178.43 2pu7 s ALA 211 N -3.45 -1.74 0.97 3.86 0.00 -0.80 -4.77 121.76 115.83 2pu7 s ALA 211 Ca 0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 2pu7 s ALA 211 Cb 0.08 -2.53 0.17 0.00 0.00 0.00 0.00 23.12 20.84 2pu7 s ALA 211 CO 0.62 -2.20 1.10 -2.14 0.00 0.00 0.00 175.76 173.14 2pu7 s PRO 212 N 1.54 0.63 0.59 0.00 0.02 -1.06 -4.63 135.00 132.09 2pu7 s PRO 212 Ca 0.19 1.18 0.28 0.00 0.02 0.00 0.00 61.00 62.68 2pu7 s PRO 212 Cb -0.06 -1.71 1.63 0.00 0.02 0.00 0.00 34.50 34.38 2pu7 s PRO 212 CO -0.06 -2.78 2.08 1.25 -0.33 0.00 0.00 177.00 177.16 2pu7 h LEU 213 N -1.96 0.00 -2.76 -5.54 5.85 -1.96 -0.97 115.31 107.97 2pu7 h LEU 213 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2pu7 h LEU 213 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2pu7 h LEU 213 CO 0.47 0.00 0.00 0.77 -0.34 0.00 0.00 178.44 179.34 2pu7 h SER 214 N 0.00 0.00 0.15 1.25 4.64 -1.92 -2.16 113.55 115.51 2pu7 h SER 214 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2pu7 h SER 214 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2pu7 h SER 214 CO -0.00 0.00 -0.71 0.35 -0.87 0.00 0.00 176.83 175.60 2pu7 n THR 215 N -3.00 0.00 0.50 2.95 -2.24 -0.37 -3.80 114.28 108.33 2pu7 n THR 215 Ca -0.03 -0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.83 2pu7 n THR 215 Cb 0.08 0.79 0.45 0.00 -2.10 0.00 0.00 70.33 69.55 2pu7 n THR 215 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 2pu7 h TRP 216 N 0.51 0.00 -2.47 4.78 4.06 -1.51 -3.46 115.95 117.87 2pu7 h TRP 216 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 2pu7 h TRP 216 Cb 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 2pu7 h TRP 216 CO 0.00 0.00 1.27 0.34 -3.56 0.00 0.00 178.44 176.49 2pu7 s ASP 217 N -4.50 6.05 -0.08 -3.49 2.15 -0.73 -4.63 116.67 111.44 2pu7 s ASP 217 Ca 0.07 1.81 0.15 0.00 0.43 0.00 0.00 52.55 55.01 2pu7 s ASP 217 Cb 0.11 -2.52 0.48 0.00 -0.30 0.00 0.00 42.92 40.68 2pu7 s ASP 217 CO 0.50 -1.50 1.40 1.33 -0.17 0.00 0.00 175.17 176.73 2pu7 n VAL 218 N 6.82 1.55 -0.29 1.11 0.24 -1.26 -4.73 118.33 121.77 2pu7 n VAL 218 Ca 0.23 -1.29 0.11 0.00 -2.04 0.00 0.00 64.34 61.34 2pu7 n VAL 218 Cb 0.45 0.20 0.27 0.00 -1.47 0.00 0.00 33.84 33.29 2pu7 n VAL 218 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2pu7 h THR 219 N 2.52 0.42 0.00 3.34 2.02 -1.88 -0.68 112.91 118.66 2pu7 h THR 219 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2pu7 h THR 219 Cb 1.11 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2pu7 h THR 219 CO 0.12 0.05 0.00 0.00 0.37 0.00 0.00 175.52 176.06 2pu7 n ALA 220 N -2.63 1.34 0.45 6.16 0.00 -1.26 -1.96 120.51 122.61 2pu7 n ALA 220 Ca 0.20 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.83 2pu7 n ALA 220 Cb 0.61 -1.31 0.11 0.00 0.00 0.00 0.00 19.45 18.86 2pu7 n ALA 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pu7 n ARG 221 N -2.12 1.66 -0.07 0.00 1.74 -0.26 -4.65 116.66 112.96 2pu7 n ARG 221 Ca 0.01 -1.69 0.19 0.00 -0.77 0.00 0.00 57.85 55.59 2pu7 n ARG 221 Cb 0.12 -1.33 0.62 0.00 -1.02 0.00 0.00 32.46 30.85 2pu7 n ARG 221 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2pu7 h LEU 222 N 3.15 0.15 -1.22 0.55 3.38 -1.43 -1.15 115.31 118.75 2pu7 h LEU 222 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2pu7 h LEU 222 Cb 0.72 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2pu7 h LEU 222 CO 0.00 0.08 0.00 1.23 0.09 0.00 0.00 178.44 179.84 2pu7 h GLY 223 N 0.16 0.00 2.00 0.83 0.00 -1.82 -2.37 103.07 101.87 2pu7 h GLY 223 Ca 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.57 2pu7 h GLY 223 CO -0.05 0.00 -0.32 0.83 0.00 0.00 0.00 176.54 177.00 2pu7 h GLU 224 N 0.00 0.00 -6.23 4.80 5.08 -1.54 -3.46 114.58 113.23 2pu7 h GLU 224 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2pu7 h GLU 224 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2pu7 h GLU 224 CO 0.00 0.32 1.04 0.42 -1.00 0.00 0.00 179.01 179.79 2pu7 s ILE 225 N -3.30 3.80 -1.10 3.13 1.01 -0.89 -4.87 121.20 118.97 2pu7 s ILE 225 Ca 0.03 0.95 0.15 0.00 0.00 0.00 0.00 60.65 61.78 2pu7 s ILE 225 Cb 0.08 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 2pu7 s ILE 225 CO 0.69 -0.13 0.73 0.29 0.00 0.00 0.00 174.94 176.52 2pu7 n LYS 226 N 7.09 1.99 -1.72 2.79 5.02 -1.26 -4.21 118.16 127.86 2pu7 n LYS 226 Ca 0.17 -0.48 -0.43 0.00 -2.02 0.00 0.00 58.31 55.55 2pu7 n LYS 226 Cb 0.44 -1.21 -0.02 0.00 -0.02 0.00 0.00 35.03 34.22 2pu7 n LYS 226 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pu7 n ALA 227 N -0.59 2.08 -1.78 7.82 0.00 -1.26 -4.93 120.51 121.85 2pu7 n ALA 227 Ca 0.05 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 2pu7 n ALA 227 Cb 0.28 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 2pu7 n ALA 227 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pu7 s LYS 228 N -0.35 4.15 -0.08 0.00 1.02 -1.26 -4.63 119.74 118.59 2pu7 s LYS 228 Ca 0.66 2.54 0.05 0.00 0.02 0.00 0.00 55.97 59.24 2pu7 s LYS 228 Cb -0.55 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.46 2pu7 s LYS 228 CO 0.48 -0.75 -0.24 0.99 -0.92 0.00 0.00 175.35 174.90 2pu7 s THR 229 N 1.80 2.10 -0.26 2.17 2.01 0.78 -1.76 115.64 122.47 2pu7 s THR 229 Ca 0.76 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.70 2pu7 s THR 229 Cb -0.47 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.29 2pu7 s THR 229 CO 0.33 0.57 -0.03 0.12 -0.69 0.00 0.00 174.62 174.92 2pu7 s PHE 230 N 0.05 3.09 -0.18 4.92 5.36 0.25 -2.09 117.98 129.38 2pu7 s PHE 230 Ca -0.10 -1.40 -0.08 0.00 -0.96 0.00 0.00 56.93 54.39 2pu7 s PHE 230 Cb -0.15 -2.11 -0.04 0.00 -0.34 0.00 0.00 43.02 40.37 2pu7 s PHE 230 CO 0.06 -0.69 0.08 0.42 -1.46 0.00 0.00 175.22 173.63 2pu7 s ILE 231 N 1.37 4.99 0.10 3.12 1.01 0.75 -0.83 121.20 131.71 2pu7 s ILE 231 Ca 0.01 0.03 0.10 0.00 0.00 0.00 0.00 60.65 60.79 2pu7 s ILE 231 Cb -0.17 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2pu7 s ILE 231 CO -0.03 0.47 -0.25 0.42 0.00 0.00 0.00 174.94 175.56 2pu7 s THR 232 N 0.20 2.03 -0.01 2.92 -4.23 0.18 -0.40 115.64 116.32 2pu7 s THR 232 Ca 0.06 -1.57 -0.05 0.00 -1.18 0.00 0.00 61.69 58.95 2pu7 s THR 232 Cb -0.12 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2pu7 s THR 232 CO -0.00 0.12 0.10 0.86 -0.54 0.00 0.00 174.62 175.16 2pu7 s TRP 233 N -1.01 0.01 0.09 3.99 -0.11 -0.39 -1.22 118.94 120.31 2pu7 s TRP 233 Ca 0.11 -0.03 -0.27 0.00 1.22 0.00 0.00 56.10 57.13 2pu7 s TRP 233 Cb -0.10 -0.04 -0.06 0.00 -1.50 0.00 0.00 33.47 31.77 2pu7 s TRP 233 CO 0.04 -0.18 0.84 0.20 -4.62 0.00 0.00 176.95 173.23 2pu7 s GLY 234 N -0.83 2.90 0.52 5.86 0.00 -1.25 -0.91 107.32 113.60 2pu7 s GLY 234 Ca -0.09 0.41 0.19 0.00 0.00 0.00 0.00 44.72 45.23 2pu7 s GLY 234 CO 0.01 1.20 2.13 -0.09 0.00 0.00 0.00 173.10 176.34 2pu7 h ARG 235 N 5.40 0.00 -0.27 2.90 2.43 -1.25 -2.70 114.38 120.89 2pu7 h ARG 235 Ca -0.44 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 2pu7 h ARG 235 Cb 1.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2pu7 h ARG 235 CO 0.70 0.05 0.00 -0.25 -1.51 0.00 0.00 179.97 178.97 2pu7 n ASP 236 N -4.30 3.83 -4.64 -3.80 9.92 -0.55 -4.95 116.55 112.06 2pu7 n ASP 236 Ca -0.03 -3.06 -0.42 0.00 -0.53 0.00 0.00 54.79 50.75 2pu7 n ASP 236 Cb 0.13 -0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 40.03 2pu7 n ASP 236 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2pu7 s ASP 237 N -1.96 6.27 -0.08 -2.24 -1.08 -1.02 -4.54 116.67 112.01 2pu7 s ASP 237 Ca 0.43 2.19 0.18 0.00 -0.52 0.00 0.00 52.55 54.82 2pu7 s ASP 237 Cb 0.35 -2.53 0.67 0.00 -1.46 0.00 0.00 42.92 39.95 2pu7 s ASP 237 CO 0.08 -1.27 1.56 0.54 0.52 0.00 0.00 175.17 176.61 2pu7 n ARG 238 N 7.74 3.37 -0.06 4.34 1.74 -1.26 -4.49 116.66 128.04 2pu7 n ARG 238 Ca 0.21 -2.65 -0.12 0.00 -0.77 0.00 0.00 57.85 54.53 2pu7 n ARG 238 Cb 0.43 -1.80 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 2pu7 n ARG 238 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pu7 n PHE 239 N 1.16 0.00 -4.30 -1.55 -0.00 -1.26 -0.57 117.46 110.94 2pu7 n PHE 239 Ca 0.24 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.47 2pu7 n PHE 239 Cb 0.79 -0.46 -0.17 0.00 -0.00 0.00 0.00 39.48 39.65 2pu7 n PHE 239 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 2pu7 s VAL 240 N -2.24 0.80 0.44 -2.13 -7.23 -1.26 -4.61 120.40 104.17 2pu7 s VAL 240 Ca -0.17 -0.26 -0.21 0.00 -1.81 0.00 0.00 61.98 59.52 2pu7 s VAL 240 Cb 0.06 -0.78 -0.10 0.00 0.56 0.00 0.00 36.38 36.12 2pu7 s VAL 240 CO 0.24 0.29 0.99 -2.16 -0.31 0.00 0.00 175.10 174.14 2pu7 s PRO 241 N 0.91 4.12 0.45 4.82 0.04 -1.26 -4.81 135.00 139.26 2pu7 s PRO 241 Ca -0.11 1.24 0.17 0.00 0.04 0.00 0.00 61.00 62.34 2pu7 s PRO 241 Cb -0.15 -2.23 1.11 0.00 0.04 0.00 0.00 34.50 33.27 2pu7 s PRO 241 CO 0.01 -0.14 1.95 1.25 0.04 0.00 0.00 177.00 180.11 2pu7 h LEU 242 N 1.94 0.31 -1.25 -3.56 5.85 -1.88 -1.89 115.31 114.83 2pu7 h LEU 242 Ca -0.49 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2pu7 h LEU 242 Cb 1.20 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2pu7 h LEU 242 CO 0.61 0.17 0.00 -2.24 -0.34 0.00 0.00 178.44 176.64 2pu7 h ASP 243 N 0.34 0.00 0.13 1.25 2.03 -2.00 -0.02 116.42 118.14 2pu7 h ASP 243 Ca 0.32 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.59 2pu7 h ASP 243 Cb 0.77 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.26 2pu7 h ASP 243 CO -0.08 0.00 -0.11 0.45 -1.03 0.00 0.00 179.24 178.47 2pu7 h HIS 244 N 0.00 0.00 -0.53 4.15 3.86 -1.72 -0.86 115.15 120.04 2pu7 h HIS 244 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2pu7 h HIS 244 Cb 0.45 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 2pu7 h HIS 244 CO 0.00 0.11 0.35 0.78 0.86 0.00 0.00 177.93 180.03 2pu7 h GLY 245 N 0.36 0.75 1.21 2.45 0.00 -1.15 -1.69 103.07 105.00 2pu7 h GLY 245 Ca -0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 2pu7 h GLY 245 CO 0.01 0.27 -0.64 1.41 0.00 0.00 0.00 176.54 177.60 2pu7 h LEU 246 N 0.72 0.93 -0.63 3.11 3.38 -1.26 -2.61 115.31 118.95 2pu7 h LEU 246 Ca 0.20 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2pu7 h LEU 246 Cb -0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 2pu7 h LEU 246 CO -0.04 1.33 0.37 0.50 0.09 0.00 0.00 178.44 180.69 2pu7 h LYS 247 N 0.60 0.87 -0.60 1.13 3.64 -1.00 -0.80 116.57 120.40 2pu7 h LYS 247 Ca -0.01 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2pu7 h LYS 247 Cb 1.25 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 2pu7 h LYS 247 CO 0.13 0.63 0.36 -0.07 -2.27 0.00 0.00 179.45 178.24 2pu7 h LEU 248 N 0.86 0.73 -1.34 5.20 3.38 -1.29 -2.31 115.31 120.53 2pu7 h LEU 248 Ca 0.23 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2pu7 h LEU 248 Cb 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2pu7 h LEU 248 CO -0.04 0.58 0.04 0.25 0.09 0.00 0.00 178.44 179.35 2pu7 h LEU 249 N 0.82 0.44 0.00 1.67 5.85 -0.84 -0.30 115.31 122.95 2pu7 h LEU 249 Ca 0.22 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 2pu7 h LEU 249 Cb -0.02 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2pu7 h LEU 249 CO -0.04 0.48 -0.52 -0.50 -0.34 0.00 0.00 178.44 177.52 2pu7 h TRP 250 N 0.47 0.00 0.00 1.25 4.06 -1.16 -3.40 115.95 117.17 2pu7 h TRP 250 Ca 0.11 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.97 2pu7 h TRP 250 Cb 0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 2pu7 h TRP 250 CO 0.01 0.33 -1.74 0.09 -3.56 0.00 0.00 178.44 173.58 2pu7 n ASN 251 N -3.11 1.76 -4.76 -3.49 3.02 -0.66 -4.90 115.26 103.12 2pu7 n ASN 251 Ca 0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.17 2pu7 n ASN 251 Cb 0.68 1.36 -0.06 0.00 -0.61 0.00 0.00 39.78 41.15 2pu7 n ASN 251 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pu7 s ILE 252 N -2.75 4.93 0.14 2.41 1.01 -0.21 -3.54 121.20 123.19 2pu7 s ILE 252 Ca -0.06 1.22 -0.24 0.00 0.00 0.00 0.00 60.65 61.58 2pu7 s ILE 252 Cb 0.07 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.63 2pu7 s ILE 252 CO 0.57 0.41 1.62 -0.78 0.00 0.00 0.00 174.94 176.76 2pu7 h ASP 253 N 5.72 -0.86 -3.40 3.58 3.58 -1.82 -3.36 116.42 119.86 2pu7 h ASP 253 Ca -0.45 0.14 -0.62 0.00 0.42 0.00 0.00 57.03 56.52 2pu7 h ASP 253 Cb 1.20 0.39 -0.41 0.00 1.72 0.00 0.00 39.33 42.23 2pu7 h ASP 253 CO 0.70 -0.31 -0.67 -0.62 -2.88 0.00 0.00 179.24 175.46 2pu7 s ASP 254 N -4.99 4.07 0.20 2.28 -1.08 -1.26 -5.08 116.67 110.81 2pu7 s ASP 254 Ca -0.15 -3.32 0.10 0.00 -0.52 0.00 0.00 52.55 48.65 2pu7 s ASP 254 Cb 0.11 -1.38 -0.04 0.00 -1.46 0.00 0.00 42.92 40.15 2pu7 s ASP 254 CO 0.67 -0.16 -0.19 0.00 0.52 0.00 0.00 175.17 176.01 2pu7 s ALA 255 N -0.65 2.27 0.08 3.66 0.00 -1.26 -0.15 121.76 125.71 2pu7 s ALA 255 Ca 0.23 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2pu7 s ALA 255 Cb -0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2pu7 s ALA 255 CO -0.10 0.25 -0.04 -0.98 0.00 0.00 0.00 175.76 174.89 2pu7 s ARG 256 N -3.08 0.76 -0.06 0.00 3.03 -0.89 -4.96 118.95 113.74 2pu7 s ARG 256 Ca 0.21 -1.30 0.03 0.00 2.03 0.00 0.00 55.73 56.70 2pu7 s ARG 256 Cb -0.05 0.00 0.00 0.00 -1.03 0.00 0.00 34.95 33.88 2pu7 s ARG 256 CO 0.09 -0.08 -0.16 -1.17 -1.13 0.00 0.00 175.30 172.85 2pu7 s LEU 257 N -3.00 1.82 -0.11 -1.89 2.96 -1.26 -0.17 118.68 117.04 2pu7 s LEU 257 Ca 0.11 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 2pu7 s LEU 257 Cb 0.07 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.80 2pu7 s LEU 257 CO -0.06 0.10 -0.14 -2.28 -1.32 0.00 0.00 176.35 172.65 2pu7 s HIS 258 N 0.36 1.89 -0.15 5.38 5.65 0.46 -4.98 115.29 123.91 2pu7 s HIS 258 Ca -0.11 -0.88 0.01 0.00 0.25 0.00 0.00 55.06 54.33 2pu7 s HIS 258 Cb -0.14 -1.38 0.02 0.00 -1.18 0.00 0.00 32.58 29.90 2pu7 s HIS 258 CO 0.04 -0.46 -0.19 0.08 -0.65 0.00 0.00 174.74 173.56 2pu7 s VAL 259 N 1.02 1.87 -0.02 0.89 1.01 -1.26 -1.26 120.40 122.65 2pu7 s VAL 259 Ca -0.06 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 2pu7 s VAL 259 Cb -0.15 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2pu7 s VAL 259 CO -0.02 0.51 0.55 -0.36 0.00 0.00 0.00 175.10 175.78 2pu7 s PHE 260 N 1.13 3.67 0.49 5.22 0.08 -0.08 -4.90 117.98 123.58 2pu7 s PHE 260 Ca -0.01 1.12 -0.19 0.00 0.12 0.00 0.00 56.93 57.98 2pu7 s PHE 260 Cb -0.14 -2.55 -0.09 0.00 -0.57 0.00 0.00 43.02 39.67 2pu7 s PHE 260 CO -0.07 0.38 0.99 -1.54 -0.10 0.00 0.00 175.22 174.87 2pu7 s SER 261 N -0.24 6.62 -1.14 1.36 1.04 -1.26 -1.43 113.70 118.65 2pu7 s SER 261 Ca 0.29 1.69 -0.05 0.00 0.48 0.00 0.00 55.95 58.36 2pu7 s SER 261 Cb -0.18 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.38 2pu7 s SER 261 CO 0.16 -0.59 0.91 0.29 0.98 0.00 0.00 173.24 174.98 2pu7 n LYS 262 N -1.20 -3.93 -3.72 4.02 5.02 -1.26 -4.91 118.16 112.17 2pu7 n LYS 262 Ca 0.07 0.79 -0.12 0.00 -2.02 0.00 0.00 58.31 57.04 2pu7 n LYS 262 Cb 0.54 -5.60 -0.12 0.00 -0.02 0.00 0.00 35.03 29.83 2pu7 n LYS 262 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pu7 n GLY 264 N 4.01 1.14 0.04 0.00 0.00 -1.26 -1.49 105.19 107.63 2pu7 n GLY 264 Ca -0.22 -0.92 0.14 0.00 0.00 0.00 0.00 46.02 45.01 2pu7 n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu7 n ALA 265 N -3.00 2.83 -3.57 4.61 0.00 0.14 -3.97 120.51 117.55 2pu7 n ALA 265 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 53.44 52.92 2pu7 n ALA 265 Cb 0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.04 2pu7 n ALA 265 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2pu7 n TRP 266 N -1.29 3.51 -0.33 0.00 8.01 -1.26 -4.87 117.44 121.22 2pu7 n TRP 266 Ca 0.09 -4.14 0.06 0.00 -1.31 0.00 0.00 57.50 52.21 2pu7 n TRP 266 Cb 0.31 -0.65 0.22 0.00 -2.01 0.00 0.00 31.31 29.19 2pu7 n TRP 266 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2pu7 h ALA 267 N 4.72 1.38 0.00 6.99 0.00 -1.96 0.11 119.26 130.50 2pu7 h ALA 267 Ca 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2pu7 h ALA 267 Cb 0.70 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2pu7 h ALA 267 CO 0.82 0.10 -0.05 -0.56 0.00 0.00 0.00 179.25 179.56 2pu7 h GLN 268 N 0.84 0.00 0.00 0.00 -0.00 -1.91 -0.56 115.11 113.48 2pu7 h GLN 268 Ca 0.47 0.00 -0.37 0.00 -0.00 0.00 0.00 58.65 58.74 2pu7 h GLN 268 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.94 2pu7 h GLN 268 CO -0.29 0.05 -2.33 1.87 -0.00 0.00 0.00 178.83 178.13 2pu7 n TRP 269 N -3.38 0.00 0.10 0.06 -0.00 -0.72 -3.72 117.44 109.78 2pu7 n TRP 269 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.45 2pu7 n TRP 269 Cb 0.20 -0.88 0.01 0.00 -0.00 0.00 0.00 31.31 30.64 2pu7 n TRP 269 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 2pu7 h GLU 270 N -0.39 0.00 -1.36 5.87 4.81 -0.75 -3.30 114.58 119.46 2pu7 h GLU 270 Ca -0.56 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.19 2pu7 h GLU 270 Cb 1.68 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.65 2pu7 h GLU 270 CO -0.21 0.79 -0.96 0.72 -0.73 0.00 0.00 179.01 178.61 2pu7 n HIS 271 N -3.46 2.25 0.03 0.92 8.25 -0.22 -4.95 115.22 118.03 2pu7 n HIS 271 Ca -0.00 -3.06 -0.11 0.00 -0.26 0.00 0.00 57.72 54.29 2pu7 n HIS 271 Cb 0.80 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 31.60 2pu7 n HIS 271 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pu7 h ALA 272 N 2.81 -0.04 0.09 -1.41 0.00 -1.65 0.07 119.26 119.13 2pu7 h ALA 272 Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2pu7 h ALA 272 Cb 1.02 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2pu7 h ALA 272 CO 0.67 -0.55 -0.15 -0.44 0.00 0.00 0.00 179.25 178.78 2pu7 h ASP 273 N -0.11 -0.41 -0.14 0.00 3.32 -1.91 0.42 116.42 117.59 2pu7 h ASP 273 Ca 0.05 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 2pu7 h ASP 273 Cb 0.17 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2pu7 h ASP 273 CO -0.11 -0.22 -0.44 -0.33 -1.72 0.00 0.00 179.24 176.42 2pu7 h GLU 274 N -0.30 0.69 0.14 3.56 5.08 -1.95 -1.12 114.58 120.68 2pu7 h GLU 274 Ca 0.02 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 2pu7 h GLU 274 Cb 0.31 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2pu7 h GLU 274 CO -0.08 0.99 -0.24 0.35 -1.00 0.00 0.00 179.01 179.03 2pu7 h PHE 275 N 0.56 -0.64 -0.14 4.33 3.57 -0.50 0.12 116.94 124.23 2pu7 h PHE 275 Ca 0.04 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2pu7 h PHE 275 Cb 0.98 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 2pu7 h PHE 275 CO 0.05 -0.34 -0.13 -0.91 -2.23 0.00 0.00 178.31 174.75 2pu7 h ASN 276 N -0.45 -0.40 -0.51 0.41 2.35 0.03 -1.85 115.58 115.15 2pu7 h ASN 276 Ca 0.02 0.08 0.09 0.00 -0.55 0.00 0.00 56.30 55.95 2pu7 h ASN 276 Cb 0.47 0.20 -0.08 0.00 0.05 0.00 0.00 38.32 38.96 2pu7 h ASN 276 CO -0.12 -0.17 0.07 0.03 -1.65 0.00 0.00 177.43 175.59 2pu7 h ARG 277 N -0.14 0.19 -0.47 0.81 3.08 -1.01 -2.01 114.38 114.83 2pu7 h ARG 277 Ca 0.09 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 2pu7 h ARG 277 Cb 0.28 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2pu7 h ARG 277 CO -0.23 0.13 -0.02 -0.07 -1.07 0.00 0.00 179.97 178.70 2pu7 h LEU 278 N 0.19 0.83 -0.19 3.04 3.38 -0.47 -2.40 115.31 119.69 2pu7 h LEU 278 Ca 0.26 -0.32 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 2pu7 h LEU 278 Cb 0.37 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pu7 h LEU 278 CO -0.37 0.95 -0.83 0.58 0.09 0.00 0.00 178.44 178.86 2pu7 h VAL 279 N 0.70 1.32 -0.43 1.22 2.07 -1.25 -0.35 116.25 119.51 2pu7 h VAL 279 Ca 0.13 -2.12 -0.04 0.00 0.82 0.00 0.00 66.70 65.49 2pu7 h VAL 279 Cb 0.54 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 2pu7 h VAL 279 CO 0.03 0.66 0.10 0.40 0.02 0.00 0.00 177.57 178.77 2pu7 h ILE 280 N 0.42 1.24 -0.58 4.57 2.04 -1.39 0.12 117.51 123.92 2pu7 h ILE 280 Ca -0.06 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 2pu7 h ILE 280 Cb 1.45 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 2pu7 h ILE 280 CO 0.16 0.29 0.34 -0.78 0.00 0.00 0.00 178.15 178.16 2pu7 h ASP 281 N 0.57 0.72 0.17 1.72 3.58 -1.37 0.29 116.42 122.10 2pu7 h ASP 281 Ca 0.14 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2pu7 h ASP 281 Cb 0.33 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2pu7 h ASP 281 CO 0.00 0.58 -0.08 0.15 -2.88 0.00 0.00 179.24 177.01 2pu7 h PHE 282 N 0.79 -0.21 -0.84 0.28 3.57 -0.86 0.53 116.94 120.19 2pu7 h PHE 282 Ca 0.21 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.82 2pu7 h PHE 282 Cb 0.01 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.74 2pu7 h PHE 282 CO -0.02 -0.11 0.46 -0.07 -2.23 0.00 0.00 178.31 176.34 2pu7 h LEU 283 N -0.25 0.62 -0.12 0.59 3.38 -0.52 -0.53 115.31 118.48 2pu7 h LEU 283 Ca -0.02 0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.78 2pu7 h LEU 283 Cb 0.20 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pu7 h LEU 283 CO 0.04 0.31 -0.97 0.03 0.09 0.00 0.00 178.44 177.94 2pu7 h ARG 284 N 0.72 0.50 0.00 1.13 3.08 -0.78 -3.42 114.38 115.61 2pu7 h ARG 284 Ca 0.43 -0.54 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2pu7 h ARG 284 Cb 0.50 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2pu7 h ARG 284 CO -0.30 1.18 -1.04 0.72 -1.07 0.00 0.00 179.97 179.45 2pu7 n HIS 285 N -3.78 0.00 0.23 3.04 8.25 0.16 -5.09 115.22 118.04 2pu7 n HIS 285 Ca -0.08 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.40 2pu7 n HIS 285 Cb 0.85 -0.03 0.11 0.00 1.12 0.00 0.00 29.99 32.04 2pu7 n HIS 285 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98