#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nws s LYS 23 N 0.00 4.30 -0.53 -0.72 1.02 0.10 -4.93 119.74 118.97 1nws s LYS 23 Ca 0.00 1.69 0.04 0.00 0.02 0.00 0.00 55.97 57.72 1nws s LYS 23 Cb 0.00 -2.79 0.16 0.00 -0.52 0.00 0.00 37.83 34.68 1nws s LYS 23 CO 0.00 -0.07 0.37 -1.17 -0.92 0.00 0.00 175.35 173.57 1nws s LEU 24 N -2.21 3.10 -0.27 3.17 2.96 -1.26 -2.08 118.68 122.10 1nws s LEU 24 Ca 0.53 -3.26 -0.29 0.00 -0.22 0.00 0.00 54.13 50.89 1nws s LEU 24 Cb -0.27 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.35 1nws s LEU 24 CO 0.35 -0.16 1.24 -0.69 -1.32 0.00 0.00 176.35 175.77 1nws s VAL 25 N -0.46 4.26 -0.08 1.68 1.01 -0.69 -2.25 120.40 123.87 1nws s VAL 25 Ca 0.26 1.47 0.03 0.00 0.00 0.00 0.00 61.98 63.73 1nws s VAL 25 Cb -0.07 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1nws s VAL 25 CO -0.13 -0.38 -0.16 0.00 0.00 0.00 0.00 175.10 174.43 1nws s TYR 27 N -0.20 3.65 -0.08 0.00 2.02 -0.71 0.47 117.35 122.51 1nws s TYR 27 Ca -0.00 0.75 0.04 0.00 -0.37 0.00 0.00 57.07 57.48 1nws s TYR 27 Cb -0.13 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 1nws s TYR 27 CO 0.03 0.67 -0.19 -0.47 -1.57 0.00 0.00 175.55 174.02 1nws s TYR 28 N -1.11 2.02 -0.23 2.71 5.04 0.33 -0.47 117.35 125.64 1nws s TYR 28 Ca 0.22 -0.75 -0.07 0.00 -2.44 0.00 0.00 57.07 54.02 1nws s TYR 28 Cb -0.14 -1.38 -0.03 0.00 0.35 0.00 0.00 41.96 40.75 1nws s TYR 28 CO 0.11 -0.31 0.07 0.95 -1.34 0.00 0.00 175.55 175.02 1nws s THR 29 N 0.37 4.47 0.55 4.34 -4.23 -1.26 -0.82 115.64 119.06 1nws s THR 29 Ca -0.14 -0.13 0.22 0.00 -1.18 0.00 0.00 61.69 60.46 1nws s THR 29 Cb -0.16 -3.06 0.31 0.00 1.34 0.00 0.00 72.50 70.92 1nws s THR 29 CO 0.06 0.37 2.20 0.77 -0.54 0.00 0.00 174.62 177.48 1nws h SER 30 N 7.74 0.00 0.52 3.99 4.64 -1.08 -1.74 113.55 127.62 1nws h SER 30 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1nws h SER 30 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1nws h SER 30 CO 0.61 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.90 1nws n TRP 31 N -4.25 0.00 0.72 4.77 2.14 -1.26 -2.89 117.44 116.67 1nws n TRP 31 Ca -0.03 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.63 1nws n TRP 31 Cb 0.09 -0.35 0.42 0.00 -0.81 0.00 0.00 31.31 30.66 1nws n TRP 31 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 1nws n SER 32 N -1.35 0.00 0.12 -0.67 3.41 -0.66 -2.89 113.62 111.57 1nws n SER 32 Ca 0.09 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1nws n SER 32 Cb 0.20 -0.45 0.30 0.00 -0.26 0.00 0.00 64.21 64.00 1nws n SER 32 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1nws h GLN 33 N 0.00 0.20 -0.00 4.33 3.07 -1.44 -1.03 115.11 120.24 1nws h GLN 33 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.67 1nws h GLN 33 Cb 0.29 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1nws h GLN 33 CO 0.00 0.49 -0.02 0.66 0.09 0.00 0.00 178.83 180.05 1nws n TYR 34 N -4.12 0.00 -1.73 0.06 4.01 -1.14 -4.26 117.16 109.97 1nws n TYR 34 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1nws n TYR 34 Cb 0.39 -0.45 -0.01 0.00 -0.31 0.00 0.00 39.34 38.96 1nws n TYR 34 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1nws n ARG 35 N -1.46 2.54 -1.03 -0.72 5.12 -1.16 -4.88 116.66 115.07 1nws n ARG 35 Ca 0.08 0.90 -0.34 0.00 -1.93 0.00 0.00 57.85 56.56 1nws n ARG 35 Cb 0.32 -2.64 0.11 0.00 -1.16 0.00 0.00 32.46 29.09 1nws n ARG 35 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1nws n GLU 36 N 1.70 0.03 0.00 5.56 1.02 -1.26 -1.14 120.64 126.55 1nws n GLU 36 Ca 0.07 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1nws n GLU 36 Cb 0.36 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1nws n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nws n GLY 37 N 1.21 1.66 0.15 0.62 0.00 -1.26 0.00 105.19 107.58 1nws n GLY 37 Ca 0.10 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1nws n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nws n ASP 38 N -0.07 0.52 -0.26 1.61 8.00 -1.26 -1.54 116.55 123.55 1nws n ASP 38 Ca 0.00 0.74 -0.04 0.00 0.71 0.00 0.00 54.79 56.20 1nws n ASP 38 Cb 0.00 -0.81 0.11 0.00 -0.02 0.00 0.00 41.12 40.40 1nws n ASP 38 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1nws h GLY 39 N 0.00 1.20 -5.58 0.44 0.00 -0.63 -3.44 103.07 95.06 1nws h GLY 39 Ca 0.00 -0.62 -0.68 0.00 0.00 0.00 0.00 47.33 46.03 1nws h GLY 39 CO 0.00 0.59 0.59 -1.26 0.00 0.00 0.00 176.54 176.46 1nws n SER 40 N -4.30 1.97 -3.95 0.19 2.88 -0.29 -4.70 113.62 105.43 1nws n SER 40 Ca 0.07 1.10 -0.23 0.00 -1.33 0.00 0.00 58.87 58.48 1nws n SER 40 Cb 0.17 -1.21 -0.17 0.00 -0.75 0.00 0.00 64.21 62.25 1nws n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nws s PHE 42 N 0.96 2.15 0.44 0.00 0.40 -1.26 -3.04 117.98 117.62 1nws s PHE 42 Ca -0.10 -0.39 0.27 0.00 -0.60 0.00 0.00 56.93 56.11 1nws s PHE 42 Cb -0.15 -1.15 1.32 0.00 0.51 0.00 0.00 43.02 43.55 1nws s PHE 42 CO 0.00 0.32 1.70 -1.35 0.70 0.00 0.00 175.22 176.60 1nws h PRO 43 N 3.83 0.19 0.00 0.24 0.11 -1.91 0.22 132.00 134.68 1nws h PRO 43 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1nws h PRO 43 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1nws h PRO 43 CO 0.41 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 1nws n ASP 44 N -4.59 0.08 -0.82 -2.05 5.75 -1.26 -1.80 116.55 111.86 1nws n ASP 44 Ca 0.31 0.52 0.11 0.00 -0.01 0.00 0.00 54.79 55.72 1nws n ASP 44 Cb 1.21 -0.54 0.29 0.00 -1.03 0.00 0.00 41.12 41.05 1nws n ASP 44 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nws n ALA 45 N -1.53 2.47 -2.45 2.12 0.00 0.79 -4.91 120.51 116.99 1nws n ALA 45 Ca 0.03 -0.73 -0.36 0.00 0.00 0.00 0.00 53.44 52.38 1nws n ALA 45 Cb 0.17 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 1nws n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nws s LEU 46 N -1.51 4.41 -0.37 0.00 1.43 -0.74 -5.00 118.68 116.90 1nws s LEU 46 Ca 0.35 0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 54.14 1nws s LEU 46 Cb 0.19 -2.93 0.01 0.00 0.03 0.00 0.00 46.19 43.49 1nws s LEU 46 CO 0.28 0.21 1.27 -0.62 0.23 0.00 0.00 176.35 177.72 1nws s ASP 47 N -1.46 6.61 0.62 2.29 -1.08 -1.26 -4.91 116.67 117.47 1nws s ASP 47 Ca 0.31 0.93 0.35 0.00 -0.52 0.00 0.00 52.55 53.62 1nws s ASP 47 Cb -0.16 -2.54 2.03 0.00 -1.46 0.00 0.00 42.92 40.79 1nws s ASP 47 CO 0.17 -1.19 2.30 0.08 0.52 0.00 0.00 175.17 177.05 1nws h ARG 48 N 9.50 0.00 -0.01 4.34 0.11 -1.96 -2.34 114.38 124.02 1nws h ARG 48 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 1nws h ARG 48 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1nws h ARG 48 CO 1.07 0.00 -0.72 1.19 0.10 0.00 0.00 179.97 181.61 1nws n PHE 49 N -3.60 0.00 0.17 4.08 3.72 -1.26 -4.59 117.46 115.99 1nws n PHE 49 Ca -0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.23 1nws n PHE 49 Cb 0.08 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.53 1nws n PHE 49 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nws h LEU 50 N 1.21 -0.33 -9.81 4.37 5.85 -1.83 -3.46 115.31 111.32 1nws h LEU 50 Ca 0.00 -0.06 -0.56 0.00 0.84 0.00 0.00 57.88 58.10 1nws h LEU 50 Cb 0.63 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 1nws h LEU 50 CO 0.00 -0.15 -0.53 0.00 -0.34 0.00 0.00 178.44 177.42 1nws n THR 52 N -1.15 1.14 -4.09 0.00 -2.24 -0.95 -4.85 114.28 102.13 1nws n THR 52 Ca -0.02 -0.72 -0.16 0.00 -2.27 0.00 0.00 64.05 60.88 1nws n THR 52 Cb 0.63 -0.62 -0.15 0.00 -2.10 0.00 0.00 70.33 68.09 1nws n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nws s HIS 53 N -2.86 0.39 -0.10 4.78 3.76 -1.16 -0.86 115.29 119.24 1nws s HIS 53 Ca -0.05 -0.07 0.01 0.00 -0.15 0.00 0.00 55.06 54.80 1nws s HIS 53 Cb 0.09 -0.29 0.02 0.00 1.11 0.00 0.00 32.58 33.51 1nws s HIS 53 CO 0.83 -0.03 -0.13 0.42 -0.85 0.00 0.00 174.74 174.98 1nws s ILE 54 N 0.09 1.29 -0.17 0.60 1.01 -0.71 -0.39 121.20 122.92 1nws s ILE 54 Ca -0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 1nws s ILE 54 Cb -0.04 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1nws s ILE 54 CO -0.00 0.40 -0.01 -0.63 0.00 0.00 0.00 174.94 174.70 1nws s ILE 55 N 1.10 4.09 -0.11 2.92 1.01 0.18 -1.81 121.20 128.58 1nws s ILE 55 Ca -0.05 -0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.10 1nws s ILE 55 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1nws s ILE 55 CO -0.02 0.47 0.62 -0.47 0.00 0.00 0.00 174.94 175.54 1nws s TYR 56 N 0.56 3.52 -0.07 3.97 6.14 -0.15 -0.51 117.35 130.81 1nws s TYR 56 Ca -0.01 1.09 0.03 0.00 0.64 0.00 0.00 57.07 58.81 1nws s TYR 56 Cb -0.14 -2.73 0.01 0.00 0.42 0.00 0.00 41.96 39.52 1nws s TYR 56 CO 0.02 0.06 -0.15 -1.12 0.64 0.00 0.00 175.55 175.00 1nws s SER 57 N 0.82 2.08 0.17 4.32 0.01 0.00 -0.01 113.70 121.09 1nws s SER 57 Ca 0.33 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.27 1nws s SER 57 Cb -0.17 -0.92 -0.05 0.00 0.21 0.00 0.00 66.02 65.10 1nws s SER 57 CO 0.14 0.07 -0.06 -0.36 0.41 0.00 0.00 173.24 173.44 1nws s PHE 58 N 0.53 1.31 0.01 2.43 0.08 -1.26 -0.34 117.98 120.74 1nws s PHE 58 Ca -0.14 -0.84 -0.02 0.00 0.12 0.00 0.00 56.93 56.05 1nws s PHE 58 Cb -0.16 -0.71 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 1nws s PHE 58 CO 0.05 0.00 0.19 0.00 -0.10 0.00 0.00 175.22 175.36 1nws s ALA 59 N -3.41 3.97 0.52 5.36 0.00 0.16 -4.45 121.76 123.91 1nws s ALA 59 Ca 0.20 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.42 1nws s ALA 59 Cb 0.04 -1.87 0.09 0.00 0.00 0.00 0.00 23.12 21.37 1nws s ALA 59 CO 0.03 0.77 0.66 -1.71 0.00 0.00 0.00 175.76 175.51 1nws n ASN 60 N 0.73 1.37 -3.67 0.00 5.15 0.38 -2.85 115.26 116.36 1nws n ASN 60 Ca -0.09 -2.04 -0.24 0.00 -0.60 0.00 0.00 54.58 51.60 1nws n ASN 60 Cb 0.52 -0.38 -0.17 0.00 -0.53 0.00 0.00 39.78 39.22 1nws n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1nws s ILE 61 N -1.91 0.10 -0.06 -1.44 1.01 -1.26 -1.17 121.20 116.47 1nws s ILE 61 Ca 0.47 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 61.09 1nws s ILE 61 Cb -0.03 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.88 1nws s ILE 61 CO 0.30 -0.08 -0.18 -0.44 0.00 0.00 0.00 174.94 174.55 1nws s SER 62 N 2.06 2.32 -1.46 3.58 0.01 -0.46 -4.69 113.70 115.07 1nws s SER 62 Ca 0.03 -0.40 -0.09 0.00 1.31 0.00 0.00 55.95 56.80 1nws s SER 62 Cb -0.15 -0.88 0.04 0.00 0.21 0.00 0.00 66.02 65.24 1nws s SER 62 CO -0.07 0.12 0.78 0.59 0.41 0.00 0.00 173.24 175.08 1nws n ASN 63 N 3.43 -5.41 -3.07 2.44 3.02 -1.26 -1.11 115.26 113.31 1nws n ASN 63 Ca -0.20 -0.47 -0.23 0.00 -0.03 0.00 0.00 54.58 53.66 1nws n ASN 63 Cb 0.52 -4.34 0.03 0.00 -0.61 0.00 0.00 39.78 35.38 1nws n ASN 63 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1nws n ASP 64 N -2.64 -5.77 -4.07 6.41 8.00 -1.26 -4.93 116.55 112.29 1nws n ASP 64 Ca -0.03 -0.30 -0.22 0.00 0.71 0.00 0.00 54.79 54.94 1nws n ASP 64 Cb 0.57 -4.67 -0.15 0.00 -0.02 0.00 0.00 41.12 36.85 1nws n ASP 64 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1nws s HIS 65 N -3.14 1.24 0.22 1.24 3.76 -0.27 -1.17 115.29 117.17 1nws s HIS 65 Ca 0.32 -0.29 -0.31 0.00 -0.15 0.00 0.00 55.06 54.62 1nws s HIS 65 Cb -0.14 -0.83 -0.11 0.00 1.11 0.00 0.00 32.58 32.60 1nws s HIS 65 CO 0.39 -0.09 1.61 -1.50 -0.85 0.00 0.00 174.74 174.31 1nws s ILE 66 N -0.04 2.28 0.13 0.60 1.10 -1.26 -1.36 121.20 122.65 1nws s ILE 66 Ca -0.00 0.21 -0.10 0.00 -0.51 0.00 0.00 60.65 60.25 1nws s ILE 66 Cb -0.08 -3.14 0.00 0.00 0.15 0.00 0.00 42.46 39.40 1nws s ILE 66 CO 0.00 0.02 0.27 -0.62 -2.11 0.00 0.00 174.94 172.50 1nws s ASP 67 N 0.91 0.03 0.98 4.50 2.15 -0.32 -4.88 116.67 120.04 1nws s ASP 67 Ca 0.69 -0.68 -0.12 0.00 0.43 0.00 0.00 52.55 52.87 1nws s ASP 67 Cb -0.47 0.40 0.18 0.00 -0.30 0.00 0.00 42.92 42.74 1nws s ASP 67 CO 0.37 -0.82 1.08 0.42 -0.17 0.00 0.00 175.17 176.05 1nws s THR 68 N -3.89 2.34 0.04 1.71 -4.23 -1.26 -0.47 115.64 109.88 1nws s THR 68 Ca 0.09 0.11 -0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1nws s THR 68 Cb 0.04 -2.39 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 1nws s THR 68 CO -0.07 -0.14 -0.01 1.87 -0.54 0.00 0.00 174.62 175.73 1nws n TRP 69 N -4.26 0.00 -3.16 3.99 -0.00 -1.26 -4.21 117.44 108.55 1nws n TRP 69 Ca 0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.18 1nws n TRP 69 Cb 0.54 -0.01 -0.06 0.00 -0.00 0.00 0.00 31.31 31.78 1nws n TRP 69 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 1nws s GLU 70 N -2.01 4.35 0.52 5.87 2.56 -1.26 -4.95 118.70 123.77 1nws s GLU 70 Ca -0.01 0.90 0.36 0.00 0.00 0.00 0.00 54.97 56.23 1nws s GLU 70 Cb 0.00 -3.25 1.52 0.00 2.00 0.00 0.00 34.13 34.40 1nws s GLU 70 CO 0.01 0.60 1.73 0.11 -0.56 0.00 0.00 175.26 177.15 1nws h TRP 71 N 4.50 0.15 -0.35 5.30 5.08 -2.03 -0.10 115.95 128.50 1nws h TRP 71 Ca -0.48 0.01 -0.10 0.00 1.08 0.00 0.00 58.89 59.40 1nws h TRP 71 Cb 1.21 -0.04 -0.06 0.00 -3.00 0.00 0.00 29.16 27.27 1nws h TRP 71 CO 0.66 -0.02 0.02 0.27 -1.28 0.00 0.00 178.44 178.10 1nws n ASN 72 N -4.25 3.45 -0.03 0.11 6.94 -1.26 -4.77 115.26 115.47 1nws n ASN 72 Ca 0.31 -3.31 -0.09 0.00 -0.02 0.00 0.00 54.58 51.46 1nws n ASN 72 Cb 1.38 -0.60 -0.02 0.00 -2.36 0.00 0.00 39.78 38.17 1nws n ASN 72 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1nws h ASP 73 N 1.54 -0.73 -0.66 0.53 3.32 -1.40 -1.68 116.42 117.35 1nws h ASP 73 Ca 0.12 0.13 0.14 0.00 0.02 0.00 0.00 57.03 57.43 1nws h ASP 73 Cb 1.63 0.34 -0.10 0.00 0.22 0.00 0.00 39.33 41.41 1nws h ASP 73 CO 0.35 -0.27 0.08 0.58 -1.72 0.00 0.00 179.24 178.25 1nws h VAL 74 N -0.26 0.52 -0.23 -1.35 2.07 -1.86 1.07 116.25 116.22 1nws h VAL 74 Ca 0.12 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1nws h VAL 74 Cb 0.44 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1nws h VAL 74 CO -0.34 0.03 0.11 0.74 0.02 0.00 0.00 177.57 178.13 1nws h THR 75 N 0.19 0.99 -0.06 2.57 2.02 -1.78 -1.84 112.91 114.99 1nws h THR 75 Ca 0.35 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.38 1nws h THR 75 Cb 0.58 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1nws h THR 75 CO -0.51 0.04 -0.33 -0.07 0.37 0.00 0.00 175.52 175.03 1nws h LEU 76 N 0.23 0.11 0.21 2.58 3.38 -0.00 -1.79 115.31 120.04 1nws h LEU 76 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nws h LEU 76 Cb 0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1nws h LEU 76 CO -0.07 0.44 -0.22 1.88 0.09 0.00 0.00 178.44 180.56 1nws h TYR 77 N 0.10 -0.57 -0.63 1.13 0.05 0.19 0.97 116.97 118.21 1nws h TYR 77 Ca 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 1nws h TYR 77 Cb 0.63 0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.57 1nws h TYR 77 CO 0.00 -0.32 0.29 0.78 -1.05 0.00 0.00 178.16 177.86 1nws h GLY 78 N -0.46 0.96 1.01 3.88 0.00 -1.21 0.26 103.07 107.51 1nws h GLY 78 Ca -0.00 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1nws h GLY 78 CO -0.05 0.44 0.57 1.98 0.00 0.00 0.00 176.54 179.48 1nws h MET 79 N 0.89 1.17 -0.05 4.80 -1.53 -0.77 0.62 114.93 120.05 1nws h MET 79 Ca 0.22 -0.08 -0.04 0.00 -3.44 0.00 0.00 59.70 56.36 1nws h MET 79 Cb 0.12 -0.26 0.00 0.00 -0.55 0.00 0.00 31.60 30.91 1nws h MET 79 CO -0.03 0.78 -0.13 1.25 0.14 0.00 0.00 176.91 178.92 1nws h LEU 80 N 1.20 0.21 -1.51 3.39 5.85 0.03 -3.28 115.31 121.20 1nws h LEU 80 Ca 0.32 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1nws h LEU 80 Cb -0.12 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1nws h LEU 80 CO -0.07 0.76 0.00 0.78 -0.34 0.00 0.00 178.44 179.57 1nws h ASN 81 N -0.34 0.00 0.03 1.25 2.35 -0.28 -2.53 115.58 116.05 1nws h ASN 81 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1nws h ASN 81 Cb 0.73 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 1nws h ASN 81 CO 0.03 0.00 -0.11 0.74 -1.65 0.00 0.00 177.43 176.44 1nws h THR 82 N 0.00 1.15 -0.11 2.81 2.02 -0.93 -1.45 112.91 116.40 1nws h THR 82 Ca 0.00 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.55 1nws h THR 82 Cb 0.39 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1nws h THR 82 CO 0.00 0.21 0.24 -0.07 0.37 0.00 0.00 175.52 176.26 1nws h LEU 83 N 0.18 0.00 -0.31 2.58 3.38 -1.60 0.48 115.31 120.03 1nws h LEU 83 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nws h LEU 83 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1nws h LEU 83 CO 0.02 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.66 1nws h LYS 84 N 0.00 0.00 0.80 1.13 1.57 -1.45 -3.25 116.57 115.37 1nws h LYS 84 Ca 0.05 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1nws h LYS 84 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1nws h LYS 84 CO -0.00 0.00 -0.47 -0.91 -0.57 0.00 0.00 179.45 177.50 1nws h ASN 85 N 0.00 -1.17 1.18 0.86 2.35 -1.05 -2.79 115.58 114.96 1nws h ASN 85 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1nws h ASN 85 Cb 0.62 0.33 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1nws h ASN 85 CO 0.00 -0.74 0.00 0.54 -1.65 0.00 0.00 177.43 175.58 1nws n ARG 86 N -5.61 0.20 -3.66 0.81 1.74 -1.25 -4.38 116.66 104.51 1nws n ARG 86 Ca -0.15 0.25 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 1nws n ARG 86 Cb 0.49 -1.78 -0.13 0.00 -1.02 0.00 0.00 32.46 30.02 1nws n ARG 86 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1nws s ASN 87 N -4.22 3.54 0.47 0.55 3.84 -1.07 -4.99 114.94 113.07 1nws s ASN 87 Ca 0.09 -2.37 0.17 0.00 0.21 0.00 0.00 52.86 50.96 1nws s ASN 87 Cb 0.12 -0.86 1.14 0.00 -0.55 0.00 0.00 41.25 41.10 1nws s ASN 87 CO 0.52 -0.30 2.04 -0.65 -2.79 0.00 0.00 177.10 175.92 1nws h PRO 88 N 7.00 0.00 0.00 0.43 0.11 -1.73 -2.88 132.00 134.94 1nws h PRO 88 Ca -0.01 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 1nws h PRO 88 Cb 0.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1nws h PRO 88 CO 0.43 0.14 -0.37 -0.91 -0.21 0.00 0.00 178.00 177.08 1nws h ASN 89 N 0.00 0.00 -2.33 -2.05 4.21 -1.94 -3.44 115.58 110.03 1nws h ASN 89 Ca -0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 1nws h ASN 89 Cb 0.27 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.50 1nws h ASN 89 CO 0.02 0.37 1.11 -0.11 -1.29 0.00 0.00 177.43 177.52 1nws n LEU 90 N -3.42 3.84 -4.88 1.61 7.94 -1.09 -4.93 117.00 116.07 1nws n LEU 90 Ca 0.00 0.97 -0.31 0.00 -1.11 0.00 0.00 56.01 55.56 1nws n LEU 90 Cb 0.54 -1.49 -0.05 0.00 0.53 0.00 0.00 43.42 42.96 1nws n LEU 90 CO 0.37 0.08 -0.18 -0.75 -1.11 0.00 0.00 177.39 175.80 1nws s LYS 91 N 3.26 3.29 -0.02 1.96 2.47 -0.04 -4.90 119.74 125.76 1nws s LYS 91 Ca 0.86 -0.48 0.03 0.00 -1.56 0.00 0.00 55.97 54.82 1nws s LYS 91 Cb -0.54 -2.97 -0.00 0.00 -1.46 0.00 0.00 37.83 32.86 1nws s LYS 91 CO 0.42 0.61 -0.11 0.99 0.16 0.00 0.00 175.35 177.42 1nws s THR 92 N -1.44 0.91 0.09 3.43 2.01 -1.26 -1.74 115.64 117.64 1nws s THR 92 Ca 0.32 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.91 1nws s THR 92 Cb -0.13 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1nws s THR 92 CO 0.25 0.27 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.56 1nws s LEU 93 N -0.04 2.35 -0.18 4.42 1.02 -0.75 0.01 118.68 125.51 1nws s LEU 93 Ca 0.00 -0.72 -0.05 0.00 0.02 0.00 0.00 54.13 53.38 1nws s LEU 93 Cb -0.07 -0.45 -0.03 0.00 0.02 0.00 0.00 46.19 45.66 1nws s LEU 93 CO 0.00 -0.15 0.01 -0.22 0.02 0.00 0.00 176.35 176.01 1nws s LEU 94 N -2.13 3.45 -0.26 1.79 2.96 -0.13 -0.97 118.68 123.39 1nws s LEU 94 Ca 0.03 -0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.76 1nws s LEU 94 Cb -0.07 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1nws s LEU 94 CO 0.02 0.15 0.18 -0.55 -1.32 0.00 0.00 176.35 174.82 1nws s SER 95 N 0.51 6.07 -0.12 3.68 0.15 0.98 0.04 113.70 125.01 1nws s SER 95 Ca -0.00 0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.67 1nws s SER 95 Cb -0.14 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 62.03 1nws s SER 95 CO 0.02 0.01 -0.01 0.54 1.20 0.00 0.00 173.24 175.00 1nws s VAL 96 N 1.40 4.20 0.00 4.45 0.11 0.39 0.38 120.40 131.34 1nws s VAL 96 Ca 0.07 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1nws s VAL 96 Cb -0.15 -2.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.89 1nws s VAL 96 CO 0.08 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 173.00 1nws n GLY 97 N 2.86 0.48 0.00 6.54 0.00 -1.13 -0.46 105.19 113.47 1nws n GLY 97 Ca -0.18 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1nws n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nws n GLY 98 N 0.00 0.81 0.16 -0.02 0.00 0.17 -4.31 105.19 102.00 1nws n GLY 98 Ca 0.00 -2.04 -0.18 0.00 0.00 0.00 0.00 46.02 43.79 1nws n GLY 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1nws h TRP 99 N 0.00 0.73 0.00 1.61 4.06 -1.87 -3.20 115.95 117.29 1nws h TRP 99 Ca 0.00 -0.40 0.00 0.00 2.06 0.00 0.00 58.89 60.55 1nws h TRP 99 Cb 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 1nws h TRP 99 CO 0.00 1.23 0.00 0.09 -3.56 0.00 0.00 178.44 176.20 1nws n ASN 100 N -4.11 0.00 0.27 -3.49 3.02 -1.26 -3.86 115.26 105.82 1nws n ASN 100 Ca -0.11 -1.43 -0.11 0.00 -0.03 0.00 0.00 54.58 52.90 1nws n ASN 100 Cb 0.74 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.85 1nws n ASN 100 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1nws h PHE 101 N 0.00 -0.68 0.00 3.10 3.04 -1.74 -3.49 116.94 117.17 1nws h PHE 101 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1nws h PHE 101 Cb 0.00 0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1nws h PHE 101 CO 0.00 -0.42 0.00 0.41 -2.02 0.00 0.00 178.31 176.28 1nws n GLY 102 N -0.13 0.73 0.40 2.40 0.00 -1.25 -4.80 105.19 102.53 1nws n GLY 102 Ca -0.09 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.37 1nws n GLY 102 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nws h SER 103 N 0.00 0.00 0.35 1.61 4.64 -1.88 0.34 113.55 118.61 1nws h SER 103 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1nws h SER 103 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1nws h SER 103 CO 0.00 0.00 -0.17 1.56 -0.87 0.00 0.00 176.83 177.35 1nws h GLN 104 N 0.00 -0.45 0.15 4.77 1.08 -1.93 0.79 115.11 119.52 1nws h GLN 104 Ca 0.17 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1nws h GLN 104 Cb 1.91 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.44 1nws h GLN 104 CO -0.00 -0.28 -0.07 0.00 -0.95 0.00 0.00 178.83 177.53 1nws h ARG 105 N -0.49 -0.19 -0.93 1.46 3.08 -0.64 -2.59 114.38 114.08 1nws h ARG 105 Ca -0.05 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.21 1nws h ARG 105 Cb 0.37 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 1nws h ARG 105 CO 0.08 0.03 0.60 0.35 -1.07 0.00 0.00 179.97 179.96 1nws h PHE 106 N -0.39 0.68 0.50 3.04 3.04 -1.43 -1.16 116.94 121.23 1nws h PHE 106 Ca -0.02 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1nws h PHE 106 Cb 0.31 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1nws h PHE 106 CO -0.01 0.18 -0.24 1.03 -2.02 0.00 0.00 178.31 177.25 1nws h SER 107 N 0.51 -0.57 -0.14 0.41 0.87 -0.54 -1.78 113.55 112.32 1nws h SER 107 Ca 0.49 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 61.07 1nws h SER 107 Cb 1.07 0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 1nws h SER 107 CO -0.22 -0.33 -0.26 0.11 -0.53 0.00 0.00 176.83 175.59 1nws h LYS 108 N -0.79 -0.32 -0.42 2.24 1.57 -0.89 0.55 116.57 118.51 1nws h LYS 108 Ca -0.07 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1nws h LYS 108 Cb 0.57 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.87 1nws h LYS 108 CO 0.11 -0.21 -0.09 0.82 -0.57 0.00 0.00 179.45 179.51 1nws h ILE 109 N -0.33 0.60 -0.05 1.86 2.04 -1.25 0.22 117.51 120.60 1nws h ILE 109 Ca 0.10 -0.01 -0.16 0.00 1.00 0.00 0.00 64.86 65.80 1nws h ILE 109 Cb 0.48 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1nws h ILE 109 CO -0.33 0.00 -0.67 0.00 0.00 0.00 0.00 178.15 177.15 1nws h ALA 110 N 1.41 0.77 -0.13 1.87 0.00 -0.84 -2.34 119.26 120.00 1nws h ALA 110 Ca 0.20 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1nws h ALA 110 Cb 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nws h ALA 110 CO -0.42 0.78 -0.11 1.03 0.00 0.00 0.00 179.25 180.53 1nws h SER 111 N 0.15 0.33 -3.05 0.00 0.87 0.86 -3.44 113.55 109.27 1nws h SER 111 Ca -0.02 -0.47 -0.53 0.00 -1.23 0.00 0.00 61.79 59.54 1nws h SER 111 Cb 1.21 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1nws h SER 111 CO 0.10 0.73 0.69 0.21 -0.53 0.00 0.00 176.83 178.03 1nws s ASN 112 N -6.05 6.93 0.28 6.23 3.84 0.71 -4.94 114.94 121.94 1nws s ASN 112 Ca -0.14 2.15 -0.01 0.00 0.21 0.00 0.00 52.86 55.06 1nws s ASN 112 Cb 0.05 -2.58 0.41 0.00 -0.55 0.00 0.00 41.25 38.58 1nws s ASN 112 CO 0.74 -0.60 1.84 0.74 -2.79 0.00 0.00 177.10 177.03 1nws h THR 113 N 4.52 1.22 0.02 -5.21 2.02 -1.85 -1.18 112.91 112.44 1nws h THR 113 Ca -0.41 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1nws h THR 113 Cb 1.20 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1nws h THR 113 CO 0.86 0.29 -0.01 1.56 0.37 0.00 0.00 175.52 178.59 1nws h GLN 114 N 0.83 -0.02 -0.52 6.66 7.50 -1.92 -2.69 115.11 124.95 1nws h GLN 114 Ca 0.19 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.43 1nws h GLN 114 Cb 0.24 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.71 1nws h GLN 114 CO -0.01 0.62 0.12 0.77 -1.50 0.00 0.00 178.83 178.83 1nws h SER 115 N -0.68 0.03 -0.29 1.46 0.02 -1.78 0.59 113.55 112.89 1nws h SER 115 Ca -0.00 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1nws h SER 115 Cb 0.65 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 1nws h SER 115 CO 0.00 0.04 0.05 -0.09 -1.14 0.00 0.00 176.83 175.69 1nws h ARG 116 N 0.26 0.15 -0.00 3.45 2.43 -0.64 -1.04 114.38 118.99 1nws h ARG 116 Ca 0.26 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1nws h ARG 116 Cb 0.36 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1nws h ARG 116 CO -0.33 0.10 0.00 -0.09 -1.51 0.00 0.00 179.97 178.14 1nws h ARG 117 N 0.16 0.00 0.06 0.20 9.65 -0.95 -0.29 114.38 123.20 1nws h ARG 117 Ca 0.13 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.04 1nws h ARG 117 Cb 0.14 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.67 1nws h ARG 117 CO -0.18 0.02 -0.34 1.15 2.80 0.00 0.00 179.97 183.42 1nws h THR 118 N -0.01 0.27 -0.05 0.20 2.02 -0.67 0.51 112.91 115.18 1nws h THR 118 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1nws h THR 118 Cb 0.02 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.66 1nws h THR 118 CO -0.00 0.00 -0.16 0.15 0.37 0.00 0.00 175.52 175.88 1nws h PHE 119 N -0.53 -0.41 -0.63 3.16 3.57 0.21 -0.72 116.94 121.59 1nws h PHE 119 Ca 0.04 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1nws h PHE 119 Cb 0.59 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.47 1nws h PHE 119 CO -0.33 -0.23 0.34 0.82 -2.23 0.00 0.00 178.31 176.67 1nws h ILE 120 N -0.24 0.95 0.00 1.41 2.04 -0.73 -1.59 117.51 119.35 1nws h ILE 120 Ca 0.07 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1nws h ILE 120 Cb 0.33 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1nws h ILE 120 CO -0.19 0.11 -0.21 0.50 0.00 0.00 0.00 178.15 178.37 1nws h LYS 121 N 0.63 0.00 0.00 2.37 3.64 -0.45 -2.73 116.57 120.02 1nws h LYS 121 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1nws h LYS 121 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1nws h LYS 121 CO -0.19 0.21 -0.13 -1.13 -2.27 0.00 0.00 179.45 175.94 1nws n SER 122 N -3.75 0.61 0.15 4.20 3.41 -0.32 -4.32 113.62 113.61 1nws n SER 122 Ca -0.02 0.44 -0.11 0.00 -0.26 0.00 0.00 58.87 58.93 1nws n SER 122 Cb 0.32 -0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 63.69 1nws n SER 122 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1nws h VAL 123 N 0.00 0.40 -0.60 -3.33 2.07 -1.18 -3.12 116.25 110.49 1nws h VAL 123 Ca 0.00 -0.75 0.12 0.00 0.82 0.00 0.00 66.70 66.89 1nws h VAL 123 Cb 0.68 0.64 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 1nws h VAL 123 CO 0.00 0.09 0.01 -0.65 0.02 0.00 0.00 177.57 177.05 1nws h PRO 124 N -0.99 0.13 0.52 1.57 0.11 -1.75 -0.13 132.00 131.45 1nws h PRO 124 Ca -0.05 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1nws h PRO 124 Cb 0.50 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1nws h PRO 124 CO 0.08 0.08 -0.43 -1.35 -0.21 0.00 0.00 178.00 176.17 1nws h PRO 125 N 0.13 -0.89 -0.94 1.05 0.11 -1.79 -1.56 132.00 128.10 1nws h PRO 125 Ca 0.31 0.06 0.26 0.00 0.11 0.00 0.00 66.00 66.74 1nws h PRO 125 Cb 0.50 0.20 -0.14 0.00 0.11 0.00 0.00 31.00 31.67 1nws h PRO 125 CO -0.50 -0.60 0.44 0.35 -0.21 0.00 0.00 178.00 177.48 1nws h PHE 126 N -0.93 0.72 -0.06 0.65 3.04 -1.40 0.24 116.94 119.21 1nws h PHE 126 Ca -0.07 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1nws h PHE 126 Cb 0.78 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.12 1nws h PHE 126 CO -0.18 -0.11 -0.01 -0.07 -2.02 0.00 0.00 178.31 175.92 1nws h LEU 127 N 0.36 0.11 -0.82 0.59 3.38 -0.68 -2.21 115.31 116.04 1nws h LEU 127 Ca 0.63 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 1nws h LEU 127 Cb 1.29 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1nws h LEU 127 CO -0.58 0.46 0.18 0.03 0.09 0.00 0.00 178.44 178.62 1nws h ARG 128 N -0.24 1.06 -0.84 1.13 2.47 -0.54 0.25 114.38 117.66 1nws h ARG 128 Ca 0.01 -0.24 0.03 0.00 -1.26 0.00 0.00 59.98 58.53 1nws h ARG 128 Cb 0.41 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.54 1nws h ARG 128 CO 0.01 0.93 0.55 1.15 0.56 0.00 0.00 179.97 183.17 1nws h THR 129 N 1.01 1.15 -0.44 2.04 2.02 -0.49 -2.98 112.91 115.21 1nws h THR 129 Ca 0.22 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1nws h THR 129 Cb 0.34 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1nws h THR 129 CO -0.00 0.19 0.00 1.41 0.37 0.00 0.00 175.52 177.49 1nws n HIS 130 N -4.44 0.59 -1.60 3.16 8.25 -0.84 -4.99 115.22 115.35 1nws n HIS 130 Ca 0.11 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 1nws n HIS 130 Cb 0.10 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1nws n HIS 130 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nws n GLY 131 N 1.09 0.57 3.90 -1.41 0.00 -0.54 -4.70 105.19 104.11 1nws n GLY 131 Ca 0.17 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 1nws n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nws s PHE 132 N -2.00 3.48 -0.80 1.61 0.08 -0.04 -4.90 117.98 115.41 1nws s PHE 132 Ca 0.00 0.52 0.23 0.00 0.12 0.00 0.00 56.93 57.81 1nws s PHE 132 Cb 0.00 -1.98 0.16 0.00 -0.57 0.00 0.00 43.02 40.63 1nws s PHE 132 CO 0.00 0.45 1.14 -0.25 -0.10 0.00 0.00 175.22 176.46 1nws n ASP 133 N 0.08 0.65 -3.83 1.36 8.00 0.10 -4.49 116.55 118.41 1nws n ASP 133 Ca -0.03 -0.34 0.03 0.00 0.71 0.00 0.00 54.79 55.17 1nws n ASP 133 Cb 0.52 0.62 0.01 0.00 -0.02 0.00 0.00 41.12 42.25 1nws n ASP 133 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1nws s GLY 134 N -3.34 -0.22 0.07 0.44 0.00 -0.94 -0.67 107.32 102.66 1nws s GLY 134 Ca 0.07 0.22 0.07 0.00 0.00 0.00 0.00 44.72 45.08 1nws s GLY 134 CO 0.78 4.91 -0.14 -2.27 0.00 0.00 0.00 173.10 176.38 1nws s LEU 135 N -3.69 2.85 -0.14 0.66 2.96 0.99 -0.95 118.68 121.36 1nws s LEU 135 Ca 0.27 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1nws s LEU 135 Cb 0.01 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.06 1nws s LEU 135 CO -0.02 0.22 -0.12 -0.62 -1.32 0.00 0.00 176.35 174.49 1nws s ASP 136 N -1.78 2.59 -0.30 3.68 2.15 0.11 -1.39 116.67 121.73 1nws s ASP 136 Ca 0.18 -0.46 -0.26 0.00 0.43 0.00 0.00 52.55 52.43 1nws s ASP 136 Cb -0.11 -1.09 0.01 0.00 -0.30 0.00 0.00 42.92 41.43 1nws s ASP 136 CO 0.09 -0.08 0.93 -0.76 -0.17 0.00 0.00 175.17 175.18 1nws s LEU 137 N 1.54 4.03 -0.55 -1.34 1.43 0.45 -0.46 118.68 123.78 1nws s LEU 137 Ca 0.05 0.92 0.05 0.00 -1.03 0.00 0.00 54.13 54.12 1nws s LEU 137 Cb -0.13 -3.31 0.35 0.00 0.03 0.00 0.00 46.19 43.13 1nws s LEU 137 CO -0.10 -0.72 0.96 0.00 0.23 0.00 0.00 176.35 176.72 1nws n ALA 138 N 6.46 4.58 -2.55 4.21 0.00 0.39 -1.36 120.51 132.24 1nws n ALA 138 Ca 0.08 -4.59 -0.42 0.00 0.00 0.00 0.00 53.44 48.50 1nws n ALA 138 Cb 0.47 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 1nws n ALA 138 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1nws s TRP 139 N -3.43 2.55 -0.51 0.00 -0.11 -1.26 -0.66 118.94 115.52 1nws s TRP 139 Ca 0.48 0.43 0.03 0.00 1.22 0.00 0.00 56.10 58.26 1nws s TRP 139 Cb 0.30 -4.50 0.13 0.00 -1.50 0.00 0.00 33.47 27.90 1nws s TRP 139 CO -0.14 -1.65 0.26 -0.51 -4.62 0.00 0.00 176.95 170.29 1nws s LEU 140 N 5.13 4.47 0.11 5.86 1.43 -1.26 -3.95 118.68 130.47 1nws s LEU 140 Ca 0.45 -2.91 -0.02 0.00 -1.03 0.00 0.00 54.13 50.61 1nws s LEU 140 Cb -0.08 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1nws s LEU 140 CO 0.26 -0.26 0.05 -0.31 0.23 0.00 0.00 176.35 176.32 1nws s TYR 141 N -0.15 0.69 1.01 0.29 1.51 -1.26 -4.63 117.35 114.81 1nws s TYR 141 Ca 0.16 -1.12 -0.12 0.00 -1.01 0.00 0.00 57.07 54.99 1nws s TYR 141 Cb -0.25 -0.40 0.19 0.00 -0.11 0.00 0.00 41.96 41.40 1nws s TYR 141 CO -0.01 -0.49 1.08 -2.14 -1.11 0.00 0.00 175.55 172.88 1nws s PRO 142 N -3.99 0.34 0.54 -1.71 0.02 -1.25 -4.83 135.00 124.12 1nws s PRO 142 Ca 0.17 1.04 0.05 0.00 0.02 0.00 0.00 61.00 62.28 1nws s PRO 142 Cb 0.07 -1.69 0.04 0.00 0.02 0.00 0.00 34.50 32.94 1nws s PRO 142 CO -0.03 -2.93 0.40 0.20 -0.33 0.00 0.00 177.00 174.31 1nws s GLY 143 N -2.86 2.38 0.44 0.52 0.00 -1.26 -4.77 107.32 101.77 1nws s GLY 143 Ca 0.66 -1.25 0.12 0.00 0.00 0.00 0.00 44.72 44.26 1nws s GLY 143 CO 0.60 -1.94 2.04 3.21 0.00 0.00 0.00 173.10 177.01 1nws h ARG 144 N 0.75 0.36 0.00 2.90 3.08 -1.96 -0.80 114.38 118.72 1nws h ARG 144 Ca -0.37 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1nws h ARG 144 Cb 1.30 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1nws h ARG 144 CO 0.57 0.24 0.00 2.89 -1.07 0.00 0.00 179.97 182.60 1nws n ARG 145 N -4.48 0.13 0.00 0.04 0.00 -1.26 -3.38 116.66 107.71 1nws n ARG 145 Ca 0.05 0.10 0.06 0.00 -0.00 0.00 0.00 57.85 58.06 1nws n ARG 145 Cb 0.23 -1.50 0.04 0.00 -0.00 0.00 0.00 32.46 31.22 1nws n ARG 145 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1nws n ASP 146 N -1.41 1.83 -0.32 2.89 8.00 -0.31 -4.70 116.55 122.53 1nws n ASP 146 Ca 0.08 -1.42 0.17 0.00 0.71 0.00 0.00 54.79 54.33 1nws n ASP 146 Cb 0.23 0.15 0.34 0.00 -0.02 0.00 0.00 41.12 41.81 1nws n ASP 146 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1nws h LYS 147 N 2.13 0.08 0.18 -1.24 3.64 -1.56 0.15 116.57 119.94 1nws h LYS 147 Ca 0.00 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.13 1nws h LYS 147 Cb 0.49 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1nws h LYS 147 CO 0.00 0.05 -1.06 1.96 -2.27 0.00 0.00 179.45 178.13 1nws h GLN 148 N 0.08 0.38 -0.84 1.90 7.50 -1.87 -3.06 115.11 119.20 1nws h GLN 148 Ca 0.62 -0.65 0.11 0.00 0.50 0.00 0.00 58.65 59.23 1nws h GLN 148 Cb 1.35 0.24 -0.08 0.00 0.05 0.00 0.00 27.48 29.04 1nws h GLN 148 CO -0.80 1.31 0.48 0.45 -1.50 0.00 0.00 178.83 178.77 1nws h HIS 149 N -0.19 0.87 -0.72 2.96 3.86 -1.48 0.12 115.15 120.57 1nws h HIS 149 Ca -0.19 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1nws h HIS 149 Cb 1.83 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 30.00 1nws h HIS 149 CO 0.17 0.33 0.41 0.35 0.86 0.00 0.00 177.93 180.05 1nws h PHE 150 N 0.78 0.97 0.39 2.45 3.57 -0.85 0.85 116.94 125.10 1nws h PHE 150 Ca 0.42 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 1nws h PHE 150 Cb 0.43 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1nws h PHE 150 CO -0.06 0.67 -0.19 1.15 -2.23 0.00 0.00 178.31 177.65 1nws h THR 151 N 1.00 0.57 -0.41 4.41 2.02 -0.76 -2.53 112.91 117.21 1nws h THR 151 Ca 0.26 -0.48 0.08 0.00 0.77 0.00 0.00 66.41 67.05 1nws h THR 151 Cb 0.01 0.78 -0.09 0.00 -1.74 0.00 0.00 68.15 67.11 1nws h THR 151 CO -0.04 0.08 -0.24 0.74 0.37 0.00 0.00 175.52 176.43 1nws h THR 152 N -0.82 0.34 -0.02 3.16 2.02 -0.57 -0.00 112.91 117.02 1nws h THR 152 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1nws h THR 152 Cb 0.54 0.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 1nws h THR 152 CO 0.09 0.00 -0.49 0.25 0.37 0.00 0.00 175.52 175.74 1nws h LEU 153 N -0.17 -1.51 -0.78 2.58 5.85 -0.83 0.17 115.31 120.62 1nws h LEU 153 Ca 0.19 0.18 0.08 0.00 0.84 0.00 0.00 57.88 59.17 1nws h LEU 153 Cb 0.47 0.58 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 1nws h LEU 153 CO -0.51 -0.49 0.44 0.40 -0.34 0.00 0.00 178.44 177.93 1nws h ILE 154 N -0.62 0.93 0.28 4.05 2.04 -1.02 0.12 117.51 123.28 1nws h ILE 154 Ca 0.03 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1nws h ILE 154 Cb 0.69 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1nws h ILE 154 CO -0.36 0.14 -0.13 0.50 0.00 0.00 0.00 178.15 178.30 1nws h LYS 155 N 0.76 -0.36 -0.25 2.37 3.64 -0.22 -2.29 116.57 120.22 1nws h LYS 155 Ca 0.36 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.66 1nws h LYS 155 Cb 0.30 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1nws h LYS 155 CO -0.23 -0.19 -0.32 0.93 -2.27 0.00 0.00 179.45 177.37 1nws h GLU 156 N -0.44 0.53 -0.75 1.90 5.08 -0.44 -2.23 114.58 118.23 1nws h GLU 156 Ca -0.04 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 1nws h GLU 156 Cb 0.33 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1nws h GLU 156 CO 0.06 0.79 0.32 1.98 -1.00 0.00 0.00 179.01 181.16 1nws h MET 157 N 0.45 1.10 -0.30 2.33 4.05 -0.72 -1.54 114.93 120.30 1nws h MET 157 Ca 0.05 -0.18 -0.09 0.00 -0.28 0.00 0.00 59.70 59.20 1nws h MET 157 Cb 0.78 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 1nws h MET 157 CO 0.06 0.88 -0.18 -0.22 0.23 0.00 0.00 176.91 177.68 1nws h LYS 158 N 1.08 0.66 -0.32 0.39 1.63 -1.26 -2.29 116.57 116.47 1nws h LYS 158 Ca 0.25 -0.30 0.07 0.00 -0.85 0.00 0.00 60.65 59.82 1nws h LYS 158 Cb 0.18 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.71 1nws h LYS 158 CO -0.02 0.90 -0.30 0.00 -3.45 0.00 0.00 179.45 176.57 1nws h ALA 159 N 0.75 -0.19 -0.16 5.00 0.00 -0.87 -0.55 119.26 123.24 1nws h ALA 159 Ca 0.06 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1nws h ALA 159 Cb 0.72 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1nws h ALA 159 CO 0.05 -0.72 -0.17 1.49 0.00 0.00 0.00 179.25 179.91 1nws h GLU 160 N -0.27 -0.18 -0.82 0.00 4.57 -1.23 0.08 114.58 116.72 1nws h GLU 160 Ca 0.15 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.47 1nws h GLU 160 Cb 0.52 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.07 1nws h GLU 160 CO -0.47 -0.12 0.43 0.74 -1.18 0.00 0.00 179.01 178.41 1nws h PHE 161 N -0.19 0.77 -0.38 0.92 -1.00 -0.74 0.16 116.94 116.49 1nws h PHE 161 Ca 0.11 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.89 1nws h PHE 161 Cb 0.35 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1nws h PHE 161 CO -0.30 0.25 0.11 0.82 -1.61 0.00 0.00 178.31 177.58 1nws h ILE 162 N 0.68 1.22 0.36 -0.55 2.04 -0.37 -2.57 117.51 118.31 1nws h ILE 162 Ca 0.42 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1nws h ILE 162 Cb 0.51 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1nws h ILE 162 CO -0.31 0.25 -0.21 0.50 0.00 0.00 0.00 178.15 178.38 1nws h LYS 163 N 0.46 -0.51 -1.71 2.37 3.64 0.13 0.17 116.57 121.11 1nws h LYS 163 Ca 0.12 0.04 0.50 0.00 -1.27 0.00 0.00 60.65 60.04 1nws h LYS 163 Cb 0.27 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.14 1nws h LYS 163 CO -0.00 -0.34 1.23 1.49 -2.27 0.00 0.00 179.45 179.55 1nws h GLU 164 N -0.53 0.01 -0.00 1.90 4.22 -0.74 0.80 114.58 120.24 1nws h GLU 164 Ca -0.05 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1nws h GLU 164 Cb 0.42 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1nws h GLU 164 CO 0.05 0.01 -0.90 0.00 -2.18 0.00 0.00 179.01 175.99 1nws n ALA 165 N -2.85 4.49 -0.36 2.92 0.00 -0.97 -4.58 120.51 119.16 1nws n ALA 165 Ca 0.39 -0.54 0.06 0.00 0.00 0.00 0.00 53.44 53.34 1nws n ALA 165 Cb 1.76 -0.70 0.13 0.00 0.00 0.00 0.00 19.45 20.65 1nws n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nws n GLN 166 N -1.44 -0.10 -0.20 0.00 0.00 0.28 0.37 117.38 116.31 1nws n GLN 166 Ca 0.04 1.54 0.28 0.00 0.00 0.00 0.00 57.00 58.85 1nws n GLN 166 Cb 0.30 -2.29 0.70 0.00 0.00 0.00 0.00 30.24 28.95 1nws n GLN 166 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1nws h PRO 167 N 0.00 0.05 0.00 2.61 0.13 -1.81 -3.44 132.00 129.54 1nws h PRO 167 Ca 0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.59 1nws h PRO 167 Cb 0.71 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1nws h PRO 167 CO -1.01 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 177.20 1nws n GLY 168 N -1.69 -0.07 3.95 1.56 0.00 0.16 -5.17 105.19 103.93 1nws n GLY 168 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1nws n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nws s LYS 169 N 0.00 1.87 -0.45 1.61 1.02 -0.81 -5.00 119.74 117.98 1nws s LYS 169 Ca 0.00 -0.59 -0.29 0.00 0.02 0.00 0.00 55.97 55.11 1nws s LYS 169 Cb 0.00 -2.21 0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1nws s LYS 169 CO 0.00 -1.40 1.20 0.21 -0.92 0.00 0.00 175.35 174.44 1nws s LYS 170 N -5.24 3.71 0.20 1.68 2.20 -1.26 -4.87 119.74 116.15 1nws s LYS 170 Ca 0.63 0.69 -0.32 0.00 -0.36 0.00 0.00 55.97 56.61 1nws s LYS 170 Cb -0.08 -3.93 -0.14 0.00 -1.51 0.00 0.00 37.83 32.17 1nws s LYS 170 CO 0.45 -1.40 1.36 0.94 -0.36 0.00 0.00 175.35 176.34 1nws n GLN 171 N 7.84 1.75 -2.05 4.03 7.27 -1.26 -4.93 117.38 130.03 1nws n GLN 171 Ca 0.13 0.62 -0.40 0.00 0.07 0.00 0.00 57.00 57.42 1nws n GLN 171 Cb 0.49 -2.25 -0.01 0.00 2.41 0.00 0.00 30.24 30.88 1nws n GLN 171 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1nws s LEU 172 N 0.38 4.29 0.32 1.69 1.43 -1.26 -4.97 118.68 120.56 1nws s LEU 172 Ca 0.72 2.70 -0.21 0.00 -1.03 0.00 0.00 54.13 56.31 1nws s LEU 172 Cb -0.73 -3.80 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 1nws s LEU 172 CO 0.49 -0.75 0.85 -0.76 0.23 0.00 0.00 176.35 176.41 1nws s LEU 173 N -2.19 4.20 -0.13 1.79 1.43 0.15 -4.91 118.68 119.02 1nws s LEU 173 Ca 0.54 1.60 -0.01 0.00 -1.03 0.00 0.00 54.13 55.23 1nws s LEU 173 Cb -0.39 -4.03 0.03 0.00 0.03 0.00 0.00 46.19 41.82 1nws s LEU 173 CO 0.52 -0.13 -0.04 -0.22 0.23 0.00 0.00 176.35 176.70 1nws s LEU 174 N -2.45 1.17 0.34 1.79 2.96 -1.26 -0.00 118.68 121.23 1nws s LEU 174 Ca 0.52 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1nws s LEU 174 Cb -0.14 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 1nws s LEU 174 CO 0.19 -0.17 0.11 -0.94 -1.32 0.00 0.00 176.35 174.22 1nws s SER 175 N 1.76 2.13 -0.13 3.68 1.04 -0.49 -0.73 113.70 120.96 1nws s SER 175 Ca 0.03 -1.51 -0.15 0.00 0.48 0.00 0.00 55.95 54.81 1nws s SER 175 Cb -0.14 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.26 1nws s SER 175 CO -0.07 -0.79 0.40 0.00 0.98 0.00 0.00 173.24 173.76 1nws s ALA 176 N -3.41 -1.00 -0.26 5.32 0.00 -1.18 -0.41 121.76 120.82 1nws s ALA 176 Ca 0.32 1.05 -0.16 0.00 0.00 0.00 0.00 51.96 53.18 1nws s ALA 176 Cb 0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1nws s ALA 176 CO 0.15 -0.21 0.41 0.00 0.00 0.00 0.00 175.76 176.11 1nws s ALA 177 N -0.02 3.57 0.10 0.00 0.00 -0.46 -0.98 121.76 123.98 1nws s ALA 177 Ca -0.02 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.30 1nws s ALA 177 Cb -0.03 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 1nws s ALA 177 CO 0.01 -0.61 -0.16 -0.51 0.00 0.00 0.00 175.76 174.49 1nws s LEU 178 N 1.99 2.76 0.49 0.00 1.43 0.53 -4.67 118.68 121.22 1nws s LEU 178 Ca 0.17 -0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 52.54 1nws s LEU 178 Cb -0.16 -1.60 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 1nws s LEU 178 CO 0.09 0.19 1.29 -0.55 0.23 0.00 0.00 176.35 177.60 1nws s SER 179 N -2.04 5.73 0.00 2.29 0.15 -1.26 -0.70 113.70 117.86 1nws s SER 179 Ca 0.18 2.60 0.24 0.00 0.70 0.00 0.00 55.95 59.67 1nws s SER 179 Cb -0.11 -2.63 0.17 0.00 -1.71 0.00 0.00 66.02 61.75 1nws s SER 179 CO 0.10 -1.24 1.24 0.00 1.20 0.00 0.00 173.24 174.54 1nws n ALA 180 N -0.66 2.53 -2.63 5.45 0.00 -1.25 -4.69 120.51 119.26 1nws n ALA 180 Ca 0.08 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 1nws n ALA 180 Cb 0.46 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 1nws n ALA 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nws s GLY 181 N -2.00 2.38 0.20 0.00 0.00 -1.26 -4.69 107.32 101.94 1nws s GLY 181 Ca 0.27 0.47 -0.12 0.00 0.00 0.00 0.00 44.72 45.34 1nws s GLY 181 CO 0.31 1.95 1.71 1.70 0.00 0.00 0.00 173.10 178.77 1nws h LYS 182 N 7.12 0.22 -0.20 2.90 3.64 -1.91 -0.37 116.57 127.97 1nws h LYS 182 Ca -0.33 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.09 1nws h LYS 182 Cb 1.16 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.87 1nws h LYS 182 CO 0.84 0.15 -0.26 0.28 -2.27 0.00 0.00 179.45 178.19 1nws h VAL 183 N 0.23 0.37 -0.42 2.00 2.07 -2.00 -0.72 116.25 117.78 1nws h VAL 183 Ca 0.28 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.77 1nws h VAL 183 Cb 0.40 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1nws h VAL 183 CO -0.38 0.00 0.15 0.74 0.02 0.00 0.00 177.57 178.10 1nws h THR 184 N -0.29 1.21 -0.88 2.57 2.02 -1.83 -1.99 112.91 113.71 1nws h THR 184 Ca 0.12 -0.66 0.09 0.00 0.77 0.00 0.00 66.41 66.73 1nws h THR 184 Cb 0.48 0.86 -0.07 0.00 -1.74 0.00 0.00 68.15 67.67 1nws h THR 184 CO -0.36 0.24 0.54 0.40 0.37 0.00 0.00 175.52 176.70 1nws h ILE 185 N 0.53 0.96 -0.38 3.11 2.04 -0.67 0.25 117.51 123.36 1nws h ILE 185 Ca 0.14 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 1nws h ILE 185 Cb 0.22 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1nws h ILE 185 CO -0.01 0.17 -0.09 0.44 0.00 0.00 0.00 178.15 178.66 1nws h ASP 186 N 0.91 0.74 0.48 1.72 3.32 -0.86 -2.70 116.42 120.03 1nws h ASP 186 Ca 0.41 -0.36 -0.30 0.00 0.02 0.00 0.00 57.03 56.80 1nws h ASP 186 Cb 0.32 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1nws h ASP 186 CO -0.22 0.93 -1.37 0.77 -1.72 0.00 0.00 179.24 177.62 1nws h SER 187 N 0.54 0.56 0.00 6.45 4.64 -0.88 -3.41 113.55 121.45 1nws h SER 187 Ca 0.10 -0.63 -0.02 0.00 -0.47 0.00 0.00 61.79 60.77 1nws h SER 187 Cb 0.60 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1nws h SER 187 CO 0.04 1.50 -1.75 -1.20 -0.87 0.00 0.00 176.83 174.54 1nws n SER 188 N -3.58 1.34 -4.52 4.97 7.64 0.85 -4.14 113.62 116.17 1nws n SER 188 Ca -0.13 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.43 1nws n SER 188 Cb 1.05 1.67 -0.12 0.00 -1.01 0.00 0.00 64.21 65.81 1nws n SER 188 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1nws s TYR 189 N -3.06 2.75 -0.79 1.43 2.02 -1.02 -4.19 117.35 114.49 1nws s TYR 189 Ca -0.06 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.54 1nws s TYR 189 Cb 0.10 -1.59 0.29 0.00 -0.40 0.00 0.00 41.96 40.36 1nws s TYR 189 CO 0.66 0.28 1.10 -3.47 -1.57 0.00 0.00 175.55 172.55 1nws n ASP 190 N 1.86 5.01 -0.28 2.29 -0.08 -1.26 -4.75 116.55 119.34 1nws n ASP 190 Ca -0.16 -3.51 0.01 0.00 -1.51 0.00 0.00 54.79 49.61 1nws n ASP 190 Cb 0.52 -0.86 0.05 0.00 2.34 0.00 0.00 41.12 43.17 1nws n ASP 190 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1nws n ILE 191 N 0.67 -0.37 0.05 5.18 2.08 -1.26 -1.55 119.36 124.16 1nws n ILE 191 Ca 0.31 1.72 -0.11 0.00 0.56 0.00 0.00 62.75 65.22 1nws n ILE 191 Cb 0.37 -2.29 -0.05 0.00 -0.75 0.00 0.00 39.64 36.92 1nws n ILE 191 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nws h ALA 192 N 1.13 -0.37 0.80 -1.39 0.00 -1.79 -0.79 119.26 116.85 1nws h ALA 192 Ca 0.28 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1nws h ALA 192 Cb 0.46 0.50 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1nws h ALA 192 CO -0.74 -0.78 -0.38 -0.22 0.00 0.00 0.00 179.25 177.13 1nws h LYS 193 N -0.41 -1.03 0.00 0.00 1.63 -1.63 -3.18 116.57 111.95 1nws h LYS 193 Ca 0.07 0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 1nws h LYS 193 Cb 0.51 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 1nws h LYS 193 CO -0.25 -0.68 -0.17 -0.84 -3.45 0.00 0.00 179.45 174.05 1nws h ILE 194 N -1.09 0.87 0.00 2.00 3.07 -1.42 -2.61 117.51 118.33 1nws h ILE 194 Ca -0.11 -0.64 -0.00 0.00 1.55 0.00 0.00 64.86 65.66 1nws h ILE 194 Cb 0.82 1.37 -0.00 0.00 -0.27 0.00 0.00 36.82 38.75 1nws h ILE 194 CO 0.18 0.17 -0.01 0.28 -1.05 0.00 0.00 178.15 177.71 1nws h SER 195 N 0.00 0.00 0.04 2.16 0.02 -1.11 -1.99 113.55 112.66 1nws h SER 195 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nws h SER 195 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1nws h SER 195 CO 0.02 0.01 -0.02 1.56 -1.14 0.00 0.00 176.83 177.27 1nws h GLN 196 N 0.00 -0.05 -0.02 3.45 4.20 -1.55 -3.34 115.11 117.80 1nws h GLN 196 Ca -0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1nws h GLN 196 Cb 0.04 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1nws h GLN 196 CO 0.00 0.41 -0.78 0.45 -0.67 0.00 0.00 178.83 178.25 1nws h HIS 197 N -0.53 0.28 -4.02 2.96 3.86 -1.60 -3.45 115.15 112.65 1nws h HIS 197 Ca -0.01 -0.14 -0.48 0.00 -1.16 0.00 0.00 60.37 58.58 1nws h HIS 197 Cb 0.49 -0.04 0.03 0.00 1.06 0.00 0.00 27.41 28.95 1nws h HIS 197 CO 0.09 0.90 0.41 -0.51 0.86 0.00 0.00 177.93 179.68 1nws s LEU 198 N -7.58 3.98 0.09 2.43 1.43 -0.79 -4.90 118.68 113.35 1nws s LEU 198 Ca -0.03 2.04 0.12 0.00 -1.03 0.00 0.00 54.13 55.23 1nws s LEU 198 Cb 0.11 -4.36 -0.14 0.00 0.03 0.00 0.00 46.19 41.82 1nws s LEU 198 CO 0.82 -0.70 1.04 0.44 0.23 0.00 0.00 176.35 178.17 1nws h ASP 199 N 1.99 0.00 -4.30 2.29 3.32 -1.26 -3.48 116.42 114.99 1nws h ASP 199 Ca -0.49 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.64 1nws h ASP 199 Cb 1.22 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.56 1nws h ASP 199 CO 0.60 0.80 0.51 0.72 -1.72 0.00 0.00 179.24 180.15 1nws s PHE 200 N -2.78 -0.39 -0.07 4.55 -0.12 -1.25 -4.79 117.98 113.14 1nws s PHE 200 Ca -0.01 0.60 0.05 0.00 -0.05 0.00 0.00 56.93 57.52 1nws s PHE 200 Cb 0.09 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 42.93 1nws s PHE 200 CO 0.80 -0.40 -0.24 0.42 -0.05 0.00 0.00 175.22 175.75 1nws s ILE 201 N -1.50 2.01 -0.37 -4.49 1.01 0.07 -3.11 121.20 114.82 1nws s ILE 201 Ca -0.01 -1.03 -0.10 0.00 0.00 0.00 0.00 60.65 59.51 1nws s ILE 201 Cb -0.01 -1.71 0.03 0.00 0.01 0.00 0.00 42.46 40.79 1nws s ILE 201 CO 0.00 0.56 0.19 -0.44 0.00 0.00 0.00 174.94 175.25 1nws s SER 202 N -0.03 5.68 -0.39 3.58 0.01 -0.15 -0.38 113.70 122.03 1nws s SER 202 Ca -0.07 -1.02 -0.23 0.00 1.31 0.00 0.00 55.95 55.94 1nws s SER 202 Cb -0.15 -2.00 0.01 0.00 0.21 0.00 0.00 66.02 64.09 1nws s SER 202 CO 0.05 -0.38 0.78 -0.51 0.41 0.00 0.00 173.24 173.59 1nws s ILE 203 N 1.53 4.70 -0.85 1.44 2.07 -0.52 -0.35 121.20 129.24 1nws s ILE 203 Ca 0.01 0.73 -0.22 0.00 -1.41 0.00 0.00 60.65 59.77 1nws s ILE 203 Cb -0.19 -4.25 -0.14 0.00 0.13 0.00 0.00 42.46 38.01 1nws s ILE 203 CO 0.06 -0.53 1.94 0.23 -1.91 0.00 0.00 174.94 174.73 1nws n MET 204 N 6.52 1.59 -1.71 3.50 2.81 0.12 -1.65 117.12 128.30 1nws n MET 204 Ca 0.03 -1.95 -0.42 0.00 -1.81 0.00 0.00 57.70 53.54 1nws n MET 204 Cb 0.48 -3.02 -0.00 0.00 -0.71 0.00 0.00 33.22 29.97 1nws n MET 204 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1nws n THR 205 N 6.15 3.46 -3.74 2.03 -2.24 -1.26 -3.79 114.28 114.89 1nws n THR 205 Ca 0.49 -2.99 -0.04 0.00 -2.27 0.00 0.00 64.05 59.24 1nws n THR 205 Cb 0.41 -2.61 0.02 0.00 -2.10 0.00 0.00 70.33 66.05 1nws n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nws n TYR 206 N 6.04 -1.55 -2.79 4.78 0.18 -1.26 -4.77 117.16 117.78 1nws n TYR 206 Ca 0.53 -1.20 -0.19 0.00 1.88 0.00 0.00 57.90 58.91 1nws n TYR 206 Cb 0.39 0.59 0.02 0.00 -0.38 0.00 0.00 39.34 39.96 1nws n TYR 206 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1nws n ASP 207 N -1.26 -5.50 0.15 9.48 8.00 -0.52 -4.90 116.55 122.01 1nws n ASP 207 Ca -0.04 -0.20 0.12 0.00 0.71 0.00 0.00 54.79 55.39 1nws n ASP 207 Cb 0.47 -4.38 0.27 0.00 -0.02 0.00 0.00 41.12 37.46 1nws n ASP 207 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1nws h PHE 208 N -0.95 0.00 -3.31 1.24 0.04 -1.50 -3.42 116.94 109.04 1nws h PHE 208 Ca -0.46 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 59.71 1nws h PHE 208 Cb 1.32 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 39.07 1nws h PHE 208 CO 0.46 0.00 -0.75 -1.58 -0.60 0.00 0.00 178.31 175.85 1nws s HIS 209 N -3.16 2.25 0.48 -0.55 2.46 -1.26 -4.91 115.29 110.60 1nws s HIS 209 Ca 0.08 -2.06 -0.21 0.00 0.47 0.00 0.00 55.06 53.35 1nws s HIS 209 Cb 0.09 -2.02 -0.08 0.00 -0.13 0.00 0.00 32.58 30.45 1nws s HIS 209 CO 0.65 -0.89 1.07 0.20 -2.47 0.00 0.00 174.74 173.30 1nws s GLY 210 N 1.43 2.60 0.00 1.59 0.00 -1.26 -4.77 107.32 106.91 1nws s GLY 210 Ca 0.10 0.70 0.12 0.00 0.00 0.00 0.00 44.72 45.64 1nws s GLY 210 CO -0.20 1.06 1.34 0.00 0.00 0.00 0.00 173.10 175.30 1nws n ALA 211 N -0.82 1.68 0.16 3.20 0.00 -1.26 -1.77 120.51 121.70 1nws n ALA 211 Ca 0.09 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1nws n ALA 211 Cb 0.51 -1.20 0.20 0.00 0.00 0.00 0.00 19.45 18.96 1nws n ALA 211 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1nws h TRP 212 N 0.00 0.00 0.00 0.00 5.08 -1.94 -2.99 115.95 116.11 1nws h TRP 212 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1nws h TRP 212 Cb 0.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.31 1nws h TRP 212 CO 0.00 0.52 0.01 0.54 -1.28 0.00 0.00 178.44 178.22 1nws n ARG 213 N -3.53 0.00 -0.93 0.12 1.74 -0.73 -4.80 116.66 108.53 1nws n ARG 213 Ca -0.00 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1nws n ARG 213 Cb 0.61 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1nws n ARG 213 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nws n GLY 214 N -1.29 0.21 3.07 -0.13 0.00 -1.13 -4.97 105.19 100.96 1nws n GLY 214 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1nws n GLY 214 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nws s THR 215 N -1.49 0.21 0.57 2.61 -4.23 -1.26 -3.09 115.64 108.97 1nws s THR 215 Ca 0.00 -1.67 -0.18 0.00 -1.18 0.00 0.00 61.69 58.66 1nws s THR 215 Cb 0.00 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 1nws s THR 215 CO 0.00 -0.92 1.09 0.42 -0.54 0.00 0.00 174.62 174.67 1nws s THR 216 N -3.53 3.45 -0.29 3.99 -4.23 -0.15 -4.86 115.64 110.02 1nws s THR 216 Ca 0.03 0.79 -0.23 0.00 -1.18 0.00 0.00 61.69 61.10 1nws s THR 216 Cb 0.05 -3.29 0.18 0.00 1.34 0.00 0.00 72.50 70.77 1nws s THR 216 CO -0.09 -0.30 1.30 -0.83 -0.54 0.00 0.00 174.62 174.17 1nws s GLY 217 N -2.25 0.26 0.15 3.99 0.00 -1.26 -1.42 107.32 106.78 1nws s GLY 217 Ca 0.68 3.36 -0.31 0.00 0.00 0.00 0.00 44.72 48.45 1nws s GLY 217 CO 0.31 2.05 1.31 -1.58 0.00 0.00 0.00 173.10 175.20 1nws s HIS 218 N 0.26 3.29 -1.47 1.90 5.65 -1.26 -4.79 115.29 118.87 1nws s HIS 218 Ca 0.04 1.15 0.29 0.00 0.25 0.00 0.00 55.06 56.78 1nws s HIS 218 Cb -0.05 -3.59 1.19 0.00 -1.18 0.00 0.00 32.58 28.95 1nws s HIS 218 CO -0.13 -1.93 1.85 -2.39 -0.65 0.00 0.00 174.74 171.49 1nws n HIS 219 N 3.26 0.00 -3.08 3.88 -0.00 -1.26 -4.29 115.22 113.73 1nws n HIS 219 Ca 0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.64 1nws n HIS 219 Cb 0.43 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.99 30.17 1nws n HIS 219 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nws n SER 220 N -1.12 -0.02 -4.82 4.39 2.88 -1.26 -1.29 113.62 112.39 1nws n SER 220 Ca 0.13 -3.11 -0.33 0.00 -1.33 0.00 0.00 58.87 54.22 1nws n SER 220 Cb 0.29 -0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.65 1nws n SER 220 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1nws s PRO 221 N -1.62 4.12 -0.07 -1.46 0.04 -1.26 -4.89 135.00 129.86 1nws s PRO 221 Ca 0.36 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 62.35 1nws s PRO 221 Cb 0.31 -2.16 -0.16 0.00 0.04 0.00 0.00 34.50 32.53 1nws s PRO 221 CO -0.09 -0.13 0.79 1.25 0.04 0.00 0.00 177.00 178.87 1nws h LEU 222 N 1.78 -0.13 -9.92 -3.56 5.85 -1.46 0.30 115.31 108.17 1nws h LEU 222 Ca -0.49 -0.43 -0.61 0.00 0.84 0.00 0.00 57.88 57.18 1nws h LEU 222 Cb 1.19 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.15 1nws h LEU 222 CO 0.61 0.49 -0.50 -0.36 -0.34 0.00 0.00 178.44 178.33 1nws s PHE 223 N -3.08 2.28 0.18 1.25 0.08 -1.23 0.41 117.98 117.86 1nws s PHE 223 Ca -0.13 -0.73 -0.11 0.00 0.12 0.00 0.00 56.93 56.09 1nws s PHE 223 Cb -0.00 -1.82 0.08 0.00 -0.57 0.00 0.00 43.02 40.70 1nws s PHE 223 CO 0.48 0.18 1.70 -0.09 -0.10 0.00 0.00 175.22 177.39 1nws h ARG 224 N 1.41 0.97 0.00 0.44 2.43 -1.91 -3.40 114.38 114.31 1nws h ARG 224 Ca -0.43 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1nws h ARG 224 Cb 1.27 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1nws h ARG 224 CO 0.72 0.86 0.00 0.41 -1.51 0.00 0.00 179.97 180.46 1nws n GLY 225 N -0.70 -1.55 3.30 2.80 0.00 -1.21 -4.79 105.19 103.03 1nws n GLY 225 Ca 0.04 -1.36 -0.60 0.00 0.00 0.00 0.00 46.02 44.10 1nws n GLY 225 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nws n GLN 226 N 0.00 0.11 0.30 1.61 7.27 -1.26 -4.73 117.38 120.67 1nws n GLN 226 Ca 0.00 0.03 0.16 0.00 0.07 0.00 0.00 57.00 57.26 1nws n GLN 226 Cb 0.00 -1.59 0.92 0.00 2.41 0.00 0.00 30.24 31.98 1nws n GLN 226 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1nws h GLU 227 N 9.10 0.00 -0.31 3.69 4.22 -1.98 -2.61 114.58 126.69 1nws h GLU 227 Ca -0.13 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.14 1nws h GLU 227 Cb 1.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 1nws h GLU 227 CO 1.08 0.03 -0.47 0.22 -2.18 0.00 0.00 179.01 177.68 1nws h ASP 228 N 0.00 0.95 -0.50 1.04 1.82 -1.99 -3.34 116.42 114.39 1nws h ASP 228 Ca -0.00 -0.51 -0.08 0.00 -0.39 0.00 0.00 57.03 56.05 1nws h ASP 228 Cb 0.08 -0.27 -0.05 0.00 0.68 0.00 0.00 39.33 39.77 1nws h ASP 228 CO 0.00 1.28 0.08 0.00 -1.61 0.00 0.00 179.24 178.98 1nws n ALA 229 N -2.55 3.83 -2.71 -0.78 0.00 -0.99 -4.99 120.51 112.32 1nws n ALA 229 Ca -0.04 -2.28 -0.35 0.00 0.00 0.00 0.00 53.44 50.77 1nws n ALA 229 Cb 0.59 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 1nws n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nws s SER 230 N -1.39 6.54 -0.05 0.00 1.04 -1.20 -4.90 113.70 113.74 1nws s SER 230 Ca 0.50 0.63 -0.08 0.00 0.48 0.00 0.00 55.95 57.48 1nws s SER 230 Cb 0.40 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 64.35 1nws s SER 230 CO 0.12 0.27 0.37 -0.65 0.98 0.00 0.00 173.24 174.32 1nws h PRO 231 N 4.14 -0.28 -6.28 4.02 0.11 -1.94 -3.47 132.00 128.30 1nws h PRO 231 Ca -0.51 0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.18 1nws h PRO 231 Cb 1.20 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1nws h PRO 231 CO 0.65 -0.19 -0.37 0.34 -0.21 0.00 0.00 178.00 178.22 1nws s ASP 232 N -4.81 6.11 0.00 -2.05 -1.08 -1.26 -5.01 116.67 108.57 1nws s ASP 232 Ca -0.04 -0.07 0.21 0.00 -0.52 0.00 0.00 52.55 52.12 1nws s ASP 232 Cb 0.00 -1.49 -0.08 0.00 -1.46 0.00 0.00 42.92 39.90 1nws s ASP 232 CO 0.13 -0.29 0.98 -2.11 0.52 0.00 0.00 175.17 174.39 1nws n ARG 233 N -1.56 1.03 -0.00 4.34 1.85 -1.26 -4.41 116.66 116.65 1nws n ARG 233 Ca -0.04 -0.66 0.05 0.00 -1.00 0.00 0.00 57.85 56.21 1nws n ARG 233 Cb 0.58 -1.44 -0.08 0.00 -1.05 0.00 0.00 32.46 30.47 1nws n ARG 233 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1nws n PHE 234 N -0.49 0.00 -1.49 2.89 3.72 -1.26 -4.83 117.46 115.99 1nws n PHE 234 Ca 0.07 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.07 1nws n PHE 234 Cb 0.40 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.74 1nws n PHE 234 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1nws n SER 235 N -1.72 6.17 -3.45 4.37 7.64 -1.26 -4.52 113.62 120.86 1nws n SER 235 Ca -0.01 -2.70 -0.14 0.00 1.01 0.00 0.00 58.87 57.04 1nws n SER 235 Cb 0.25 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 61.83 1nws n SER 235 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nws s ASN 236 N 2.77 -0.59 0.08 6.43 2.20 -1.26 -4.80 114.94 119.77 1nws s ASN 236 Ca 0.58 0.20 -0.36 0.00 -0.94 0.00 0.00 52.86 52.33 1nws s ASN 236 Cb 0.16 0.58 -0.17 0.00 -2.00 0.00 0.00 41.25 39.81 1nws s ASN 236 CO -0.07 -0.87 1.57 0.74 -2.94 0.00 0.00 177.10 175.53 1nws h THR 237 N 2.27 0.02 -0.78 0.54 2.02 -0.97 -3.03 112.91 112.98 1nws h THR 237 Ca -0.32 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.02 1nws h THR 237 Cb 1.26 0.02 -0.15 0.00 -1.74 0.00 0.00 68.15 67.55 1nws h THR 237 CO 0.38 0.00 -0.20 -0.78 0.37 0.00 0.00 175.52 175.29 1nws h ASP 238 N -1.04 -0.73 0.03 4.18 3.58 -0.26 -1.49 116.42 120.69 1nws h ASP 238 Ca -0.07 0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1nws h ASP 238 Cb 0.89 0.49 -0.02 0.00 1.72 0.00 0.00 39.33 42.40 1nws h ASP 238 CO -0.04 -0.26 -0.14 0.22 -2.88 0.00 0.00 179.24 176.15 1nws h TYR 239 N -0.00 -0.35 -0.13 0.28 3.20 -1.79 -2.16 116.97 116.02 1nws h TYR 239 Ca 0.37 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.29 1nws h TYR 239 Cb 0.57 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1nws h TYR 239 CO -0.62 -0.20 -0.08 0.00 -1.64 0.00 0.00 178.16 175.62 1nws h ALA 240 N 0.68 0.03 0.12 1.82 0.00 -1.19 0.31 119.26 121.02 1nws h ALA 240 Ca 0.04 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nws h ALA 240 Cb 0.29 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1nws h ALA 240 CO -0.11 -0.53 -0.41 0.28 0.00 0.00 0.00 179.25 178.48 1nws h VAL 241 N -0.08 0.17 -0.87 0.00 2.07 -1.26 -0.34 116.25 115.94 1nws h VAL 241 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1nws h VAL 241 Cb 0.19 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1nws h VAL 241 CO -0.18 0.00 0.56 1.23 0.02 0.00 0.00 177.57 179.20 1nws h GLY 242 N -0.64 1.25 0.98 2.17 0.00 -1.15 -0.61 103.07 105.07 1nws h GLY 242 Ca 0.02 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.93 1nws h GLY 242 CO -0.24 0.37 0.22 -1.82 0.00 0.00 0.00 176.54 175.07 1nws h TYR 243 N 1.10 0.41 -0.36 5.60 3.20 0.10 -0.57 116.97 126.45 1nws h TYR 243 Ca 0.34 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.20 1nws h TYR 243 Cb -0.01 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1nws h TYR 243 CO -0.02 0.25 0.12 1.98 -1.64 0.00 0.00 178.16 178.86 1nws h MET 244 N 0.44 0.55 -0.57 1.82 4.05 -0.68 0.56 114.93 121.11 1nws h MET 244 Ca 0.13 -0.11 0.09 0.00 -0.28 0.00 0.00 59.70 59.53 1nws h MET 244 Cb -0.04 -0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 30.61 1nws h MET 244 CO -0.04 0.56 0.18 -0.07 0.23 0.00 0.00 176.91 177.76 1nws h LEU 245 N 0.43 0.13 -0.77 3.39 3.38 -0.78 -0.86 115.31 120.23 1nws h LEU 245 Ca 0.12 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1nws h LEU 245 Cb 0.23 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1nws h LEU 245 CO -0.01 0.09 0.48 0.03 0.09 0.00 0.00 178.44 179.12 1nws h ARG 246 N 0.34 1.04 0.00 1.13 3.08 -0.55 -2.09 114.38 117.33 1nws h ARG 246 Ca 0.29 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1nws h ARG 246 Cb 0.37 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1nws h ARG 246 CO -0.32 0.72 0.00 1.28 -1.07 0.00 0.00 179.97 180.58 1nws n LEU 247 N -4.51 0.00 0.00 3.04 4.77 0.14 -4.79 117.00 115.65 1nws n LEU 247 Ca 0.07 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1nws n LEU 247 Cb 0.04 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nws n LEU 247 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1nws n GLY 248 N -0.22 0.98 3.65 -0.72 0.00 -0.79 -2.98 105.19 105.12 1nws n GLY 248 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1nws n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nws s ALA 249 N -2.00 3.67 0.30 4.61 0.00 -0.93 -4.60 121.76 122.80 1nws s ALA 249 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 1nws s ALA 249 Cb 0.00 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 1nws s ALA 249 CO 0.00 -1.03 1.47 -2.14 0.00 0.00 0.00 175.76 174.06 1nws s PRO 250 N 3.11 4.21 0.39 0.00 0.02 -1.26 -4.33 135.00 137.13 1nws s PRO 250 Ca 0.41 2.42 0.07 0.00 0.02 0.00 0.00 61.00 63.92 1nws s PRO 250 Cb -0.15 -3.05 0.81 0.00 0.02 0.00 0.00 34.50 32.12 1nws s PRO 250 CO 0.07 -0.47 2.00 0.00 -0.33 0.00 0.00 177.00 178.27 1nws h ALA 251 N 4.36 1.73 0.00 -1.55 0.00 -1.93 -1.07 119.26 120.80 1nws h ALA 251 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nws h ALA 251 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1nws h ALA 251 CO 0.74 0.18 0.00 0.66 0.00 0.00 0.00 179.25 180.83 1nws h SER 252 N 0.66 0.00 -0.39 0.00 4.64 -1.90 -1.10 113.55 115.45 1nws h SER 252 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1nws h SER 252 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1nws h SER 252 CO -0.07 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.18 1nws n LYS 253 N -2.85 2.61 -3.87 4.77 5.02 -0.43 -4.19 118.16 119.23 1nws n LYS 253 Ca -0.00 -2.10 -0.36 0.00 -2.02 0.00 0.00 58.31 53.83 1nws n LYS 253 Cb 0.20 -1.34 -0.13 0.00 -0.02 0.00 0.00 35.03 33.74 1nws n LYS 253 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nws s LEU 254 N -1.02 3.11 -0.18 -0.35 2.96 -0.85 -0.75 118.68 121.60 1nws s LEU 254 Ca 0.28 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.84 1nws s LEU 254 Cb 0.15 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 1nws s LEU 254 CO 0.20 -0.02 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.50 1nws s VAL 255 N 1.49 3.88 -0.25 1.68 1.01 0.49 -1.15 120.40 127.55 1nws s VAL 255 Ca 0.06 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 1nws s VAL 255 Cb -0.15 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1nws s VAL 255 CO -0.00 0.45 0.59 -0.32 0.00 0.00 0.00 175.10 175.82 1nws s MET 256 N 0.77 4.10 0.25 2.72 1.75 -0.24 -1.43 119.30 127.21 1nws s MET 256 Ca -0.01 0.48 -0.30 0.00 -1.25 0.00 0.00 55.69 54.62 1nws s MET 256 Cb -0.14 -3.65 -0.09 0.00 2.84 0.00 0.00 34.83 33.79 1nws s MET 256 CO 0.02 -0.39 1.13 0.20 -0.65 0.00 0.00 175.02 175.33 1nws s GLY 257 N 1.48 2.96 -0.06 2.11 0.00 -0.66 -0.28 107.32 112.87 1nws s GLY 257 Ca 0.25 0.91 0.02 0.00 0.00 0.00 0.00 44.72 45.90 1nws s GLY 257 CO 0.09 1.61 -0.13 -0.42 0.00 0.00 0.00 173.10 174.25 1nws s ILE 258 N -0.80 1.19 0.09 0.90 1.01 0.24 -4.24 121.20 119.59 1nws s ILE 258 Ca 0.47 -0.52 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 1nws s ILE 258 Cb -0.32 -1.08 -0.07 0.00 0.01 0.00 0.00 42.46 41.00 1nws s ILE 258 CO 0.40 0.37 0.55 -2.16 0.00 0.00 0.00 174.94 174.09 1nws s PRO 259 N 0.59 4.11 -0.21 2.79 0.04 -1.26 -2.40 135.00 138.66 1nws s PRO 259 Ca -0.14 0.64 0.15 0.00 0.04 0.00 0.00 61.00 61.69 1nws s PRO 259 Cb -0.15 -3.14 0.76 0.00 0.04 0.00 0.00 34.50 32.01 1nws s PRO 259 CO 0.04 0.59 1.68 0.25 0.04 0.00 0.00 177.00 179.60 1nws n THR 260 N 1.44 2.55 -4.22 1.26 -2.24 -0.38 -4.51 114.28 108.18 1nws n THR 260 Ca -0.09 -1.46 -0.13 0.00 -2.27 0.00 0.00 64.05 60.10 1nws n THR 260 Cb 0.51 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.43 1nws n THR 260 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1nws s PHE 261 N -2.64 1.13 0.24 4.78 -0.71 -1.26 -1.16 117.98 118.36 1nws s PHE 261 Ca 0.52 -0.93 0.10 0.00 -1.04 0.00 0.00 56.93 55.58 1nws s PHE 261 Cb 0.39 -0.63 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 1nws s PHE 261 CO 0.16 -0.13 -0.17 0.20 -1.34 0.00 0.00 175.22 173.95 1nws s GLY 262 N -3.13 1.64 -0.18 1.99 0.00 -0.33 -4.57 107.32 102.73 1nws s GLY 262 Ca 0.19 -1.76 -0.09 0.00 0.00 0.00 0.00 44.72 43.06 1nws s GLY 262 CO 0.01 -1.85 0.12 0.50 0.00 0.00 0.00 173.10 171.87 1nws s ARG 263 N -3.58 3.97 0.30 2.90 1.81 -0.71 -2.26 118.95 121.38 1nws s ARG 263 Ca 0.26 -0.23 0.08 0.00 -1.72 0.00 0.00 55.73 54.12 1nws s ARG 263 Cb -0.03 -3.32 -0.04 0.00 -0.45 0.00 0.00 34.95 31.11 1nws s ARG 263 CO 0.11 0.41 0.15 -1.54 -0.68 0.00 0.00 175.30 173.74 1nws s SER 264 N 0.04 4.96 0.05 0.23 1.04 -0.17 -1.75 113.70 118.10 1nws s SER 264 Ca 0.09 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 55.90 1nws s SER 264 Cb -0.11 -0.96 -0.01 0.00 0.10 0.00 0.00 66.02 65.03 1nws s SER 264 CO -0.00 -0.17 0.09 -0.36 0.98 0.00 0.00 173.24 173.78 1nws s PHE 265 N -2.31 0.24 -0.32 5.02 0.08 0.85 -1.87 117.98 119.67 1nws s PHE 265 Ca 0.36 -0.61 -0.09 0.00 0.12 0.00 0.00 56.93 56.71 1nws s PHE 265 Cb -0.05 -0.17 0.01 0.00 -0.57 0.00 0.00 43.02 42.24 1nws s PHE 265 CO 0.23 -0.40 0.14 0.99 -0.10 0.00 0.00 175.22 176.08 1nws s THR 266 N -3.07 4.36 0.60 0.64 2.01 0.56 -1.43 115.64 119.31 1nws s THR 266 Ca -0.01 -0.65 -0.20 0.00 0.31 0.00 0.00 61.69 61.15 1nws s THR 266 Cb 0.02 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1nws s THR 266 CO -0.07 -0.02 1.31 -0.76 -0.69 0.00 0.00 174.62 174.39 1nws s LEU 267 N 1.55 3.70 0.00 4.42 1.43 0.83 -0.65 118.68 129.96 1nws s LEU 267 Ca 0.03 2.65 0.10 0.00 -1.03 0.00 0.00 54.13 55.87 1nws s LEU 267 Cb -0.18 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.55 1nws s LEU 267 CO 0.05 -1.77 0.59 0.00 0.23 0.00 0.00 176.35 175.45 1nws n ALA 268 N -1.51 2.86 -3.00 4.21 0.00 -0.33 -4.55 120.51 118.19 1nws n ALA 268 Ca 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1nws n ALA 268 Cb 0.47 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1nws n ALA 268 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nws n SER 269 N -0.38 0.00 -0.14 0.00 3.41 -1.26 -5.01 113.62 110.24 1nws n SER 269 Ca 0.04 -0.69 0.15 0.00 -0.26 0.00 0.00 58.87 58.10 1nws n SER 269 Cb 0.20 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 64.87 1nws n SER 269 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nws n SER 270 N -1.57 0.48 -4.71 4.04 3.41 -1.26 -4.81 113.62 109.20 1nws n SER 270 Ca 0.00 -0.88 -0.42 0.00 -0.26 0.00 0.00 58.87 57.31 1nws n SER 270 Cb 0.00 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1nws n SER 270 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nws s GLU 271 N -2.22 4.54 0.00 4.33 2.02 -1.26 -4.94 118.70 121.18 1nws s GLU 271 Ca 0.37 1.38 0.00 0.00 0.02 0.00 0.00 54.97 56.74 1nws s GLU 271 Cb 0.21 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1nws s GLU 271 CO 0.41 -0.06 0.87 0.25 0.02 0.00 0.00 175.26 176.75 1nws n THR 272 N 3.93 0.74 -2.37 3.63 -2.24 -1.26 -4.74 114.28 111.98 1nws n THR 272 Ca 0.06 -0.75 -0.21 0.00 -2.27 0.00 0.00 64.05 60.87 1nws n THR 272 Cb 0.51 0.64 0.12 0.00 -2.10 0.00 0.00 70.33 69.49 1nws n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nws n GLY 273 N -0.37 0.14 3.74 3.38 0.00 -1.26 -4.96 105.19 105.86 1nws n GLY 273 Ca 0.00 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1nws n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nws s VAL 274 N -2.83 2.16 0.00 1.61 1.01 -1.26 -2.27 120.40 118.81 1nws s VAL 274 Ca 0.59 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1nws s VAL 274 Cb -0.03 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1nws s VAL 274 CO 0.40 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1nws n GLY 275 N 2.57 0.70 3.78 4.51 0.00 -0.51 -4.94 105.19 111.30 1nws n GLY 275 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1nws n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nws s ALA 276 N -2.55 2.45 0.28 4.61 0.00 -0.96 -4.50 121.76 121.09 1nws s ALA 276 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 1nws s ALA 276 Cb 0.00 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 1nws s ALA 276 CO 0.00 -1.40 1.40 -2.14 0.00 0.00 0.00 175.76 173.62 1nws s PRO 277 N -4.55 4.29 0.16 0.00 0.02 -1.26 -0.98 135.00 132.68 1nws s PRO 277 Ca 0.63 2.28 0.06 0.00 0.02 0.00 0.00 61.00 63.99 1nws s PRO 277 Cb -0.18 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 1nws s PRO 277 CO 0.49 -0.35 -0.13 0.96 -0.33 0.00 0.00 177.00 177.63 1nws s ILE 278 N -0.39 1.41 -1.88 2.83 -4.36 -1.18 -1.19 121.20 116.45 1nws s ILE 278 Ca 0.56 -2.01 0.18 0.00 -0.26 0.00 0.00 60.65 59.12 1nws s ILE 278 Cb -0.41 -1.82 0.06 0.00 1.25 0.00 0.00 42.46 41.53 1nws s ILE 278 CO 0.47 -0.60 0.97 -1.54 0.24 0.00 0.00 174.94 174.49 1nws n SER 279 N -0.04 2.05 0.00 4.36 3.41 0.18 -4.75 113.62 118.83 1nws n SER 279 Ca -0.11 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 1nws n SER 279 Cb 0.59 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 1nws n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nws n GLY 280 N 1.13 -0.32 3.60 5.00 0.00 -1.25 -4.99 105.19 108.36 1nws n GLY 280 Ca 0.09 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1nws n GLY 280 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nws s PRO 281 N -1.95 0.27 0.85 1.61 0.04 -1.26 -0.32 135.00 134.24 1nws s PRO 281 Ca 0.00 1.32 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 1nws s PRO 281 Cb 0.00 -1.66 0.10 0.00 0.04 0.00 0.00 34.50 32.99 1nws s PRO 281 CO 0.00 -3.06 1.11 0.20 0.04 0.00 0.00 177.00 175.29 1nws s GLY 282 N -2.58 1.60 0.31 0.56 0.00 -0.78 -3.35 107.32 103.08 1nws s GLY 282 Ca 0.67 -0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.80 1nws s GLY 282 CO 0.60 0.18 1.45 -0.42 0.00 0.00 0.00 173.10 174.91 1nws s ILE 283 N -3.17 2.40 0.57 0.90 1.01 -1.26 -2.22 121.20 119.43 1nws s ILE 283 Ca 0.62 0.37 -0.19 0.00 0.00 0.00 0.00 60.65 61.45 1nws s ILE 283 Cb -0.15 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 1nws s ILE 283 CO 0.54 0.07 0.93 -2.65 0.00 0.00 0.00 174.94 173.83 1nws n PRO 284 N 1.43 0.94 -2.28 2.79 -0.02 -1.26 -4.66 135.00 131.94 1nws n PRO 284 Ca 0.04 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 1nws n PRO 284 Cb 0.40 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 1nws n PRO 284 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1nws s GLY 285 N -1.15 2.30 0.34 -1.23 0.00 -1.25 -4.86 107.32 101.47 1nws s GLY 285 Ca 0.73 0.48 0.05 0.00 0.00 0.00 0.00 44.72 45.98 1nws s GLY 285 CO 0.50 0.80 1.93 -0.09 0.00 0.00 0.00 173.10 176.23 1nws h ARG 286 N 0.96 0.81 0.00 2.90 2.43 -1.95 -2.08 114.38 117.45 1nws h ARG 286 Ca -0.48 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 58.40 1nws h ARG 286 Cb 1.22 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 1nws h ARG 286 CO 0.58 0.54 -2.06 1.19 -1.51 0.00 0.00 179.97 178.71 1nws n PHE 287 N -4.50 0.00 0.76 2.20 3.01 -1.26 -4.54 117.46 113.13 1nws n PHE 287 Ca 0.13 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.71 1nws n PHE 287 Cb 0.26 -0.73 0.13 0.00 -0.01 0.00 0.00 39.48 39.14 1nws n PHE 287 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nws n THR 288 N -2.51 0.14 -3.52 4.37 -2.24 -1.23 -4.43 114.28 104.86 1nws n THR 288 Ca -0.22 -0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 61.22 1nws n THR 288 Cb 0.92 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1nws n THR 288 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1nws n LYS 289 N -1.80 -1.16 -3.15 -0.78 5.02 -0.78 -4.87 118.16 110.64 1nws n LYS 289 Ca 0.04 0.54 0.04 0.00 -2.02 0.00 0.00 58.31 56.91 1nws n LYS 289 Cb 0.39 -1.69 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 1nws n LYS 289 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1nws s GLU 290 N -4.38 0.44 0.20 1.97 2.12 -1.26 -4.93 118.70 112.86 1nws s GLU 290 Ca 0.01 0.78 -0.31 0.00 0.36 0.00 0.00 54.97 55.81 1nws s GLU 290 Cb -0.01 0.43 -0.16 0.00 0.26 0.00 0.00 34.13 34.66 1nws s GLU 290 CO 0.69 -0.48 1.05 0.00 -0.54 0.00 0.00 175.26 175.98 1nws n ALA 291 N 5.45 -0.99 -0.67 6.30 0.00 -1.26 -1.70 120.51 127.63 1nws n ALA 291 Ca -0.03 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1nws n ALA 291 Cb 0.52 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1nws n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nws n GLY 292 N 1.79 0.93 3.12 0.00 0.00 -0.94 -4.82 105.19 105.26 1nws n GLY 292 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1nws n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nws s THR 293 N -3.38 0.97 -0.15 2.61 2.01 -0.69 -1.00 115.64 116.02 1nws s THR 293 Ca 0.00 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 1nws s THR 293 Cb 0.00 -0.90 0.06 0.00 0.01 0.00 0.00 72.50 71.67 1nws s THR 293 CO 0.00 -0.05 0.35 -0.76 -0.69 0.00 0.00 174.62 173.46 1nws s LEU 294 N -1.15 0.02 0.57 4.42 1.43 -0.96 -3.78 118.68 119.24 1nws s LEU 294 Ca -0.00 0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 53.69 1nws s LEU 294 Cb -0.08 1.10 -0.05 0.00 0.03 0.00 0.00 46.19 47.20 1nws s LEU 294 CO 0.01 -0.19 1.06 0.00 0.23 0.00 0.00 176.35 177.46 1nws s ALA 295 N 1.51 2.76 0.37 4.21 0.00 -1.26 -1.19 121.76 128.16 1nws s ALA 295 Ca -0.08 0.46 0.12 0.00 0.00 0.00 0.00 51.96 52.46 1nws s ALA 295 Cb -0.10 -3.24 0.93 0.00 0.00 0.00 0.00 23.12 20.71 1nws s ALA 295 CO -0.11 -0.71 1.84 -0.92 0.00 0.00 0.00 175.76 175.86 1nws h TYR 296 N 0.71 0.75 -0.05 0.00 3.20 0.44 0.35 116.97 122.36 1nws h TYR 296 Ca -0.48 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.30 1nws h TYR 296 Cb 1.22 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1nws h TYR 296 CO 0.58 0.21 -0.49 0.10 -1.64 0.00 0.00 178.16 176.91 1nws h TYR 297 N 0.58 0.17 -0.09 -3.82 -0.00 -1.82 -0.74 116.97 111.24 1nws h TYR 297 Ca 0.49 -0.05 -0.12 0.00 0.00 0.00 0.00 58.73 59.05 1nws h TYR 297 Cb 0.99 -0.03 -0.01 0.00 0.00 0.00 0.00 36.73 37.67 1nws h TYR 297 CO -0.00 0.61 -0.47 0.93 -0.00 0.00 0.00 178.16 179.22 1nws h GLU 298 N 0.11 0.23 -0.51 0.10 5.08 -0.76 -2.85 114.58 115.98 1nws h GLU 298 Ca 0.00 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 1nws h GLU 298 Cb 0.91 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1nws h GLU 298 CO 0.07 0.66 -0.14 0.82 -1.00 0.00 0.00 179.01 179.42 1nws h ILE 299 N 0.18 1.27 -0.73 3.13 2.04 -0.14 -1.83 117.51 121.44 1nws h ILE 299 Ca 0.01 -1.29 0.10 0.00 1.00 0.00 0.00 64.86 64.68 1nws h ILE 299 Cb 0.91 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1nws h ILE 299 CO 0.07 0.45 0.48 0.00 0.00 0.00 0.00 178.15 179.15 1nws h ASP 301 N 0.59 0.50 -0.77 0.00 3.32 -1.40 -3.18 116.42 115.48 1nws h ASP 301 Ca 0.34 -0.57 0.08 0.00 0.02 0.00 0.00 57.03 56.90 1nws h ASP 301 Cb 0.52 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 1nws h ASP 301 CO -0.12 0.98 0.43 0.15 -1.72 0.00 0.00 179.24 178.96 1nws h PHE 302 N 0.04 0.78 -0.40 4.55 3.57 0.09 -2.04 116.94 123.54 1nws h PHE 302 Ca 0.00 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.64 1nws h PHE 302 Cb 0.90 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1nws h PHE 302 CO 0.10 0.34 0.28 -0.07 -2.23 0.00 0.00 178.31 176.73 1nws h LEU 303 N 0.75 0.02 -8.88 0.59 3.38 0.16 -3.35 115.31 107.98 1nws h LEU 303 Ca 0.36 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.77 1nws h LEU 303 Cb 0.30 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1nws h LEU 303 CO -0.23 0.01 1.48 -0.13 0.09 0.00 0.00 178.44 179.66 1nws s ARG 304 N -5.05 2.95 0.00 1.13 0.52 -0.77 -0.09 118.95 117.64 1nws s ARG 304 Ca -0.05 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 56.92 1nws s ARG 304 Cb 0.19 -4.38 0.00 0.00 0.52 0.00 0.00 34.95 31.28 1nws s ARG 304 CO 0.72 -2.31 0.00 0.41 0.02 0.00 0.00 175.30 174.14 1nws n GLY 305 N 5.75 0.75 4.03 -3.53 0.00 -1.26 -5.05 105.19 105.88 1nws n GLY 305 Ca 0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 1nws n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nws s ALA 306 N -2.68 4.64 -0.13 4.61 0.00 0.87 -4.94 121.76 124.14 1nws s ALA 306 Ca 0.00 -2.09 0.01 0.00 0.00 0.00 0.00 51.96 49.88 1nws s ALA 306 Cb 0.00 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.63 1nws s ALA 306 CO 0.00 -0.86 -0.15 0.99 0.00 0.00 0.00 175.76 175.74 1nws s THR 307 N -2.67 1.56 -0.12 0.00 2.01 -0.45 -4.97 115.64 111.00 1nws s THR 307 Ca 0.62 -0.66 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 1nws s THR 307 Cb -0.06 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 1nws s THR 307 CO 0.39 0.46 0.28 -0.69 -0.69 0.00 0.00 174.62 174.37 1nws s VAL 308 N 1.19 5.29 -0.13 3.82 1.01 -1.26 -1.49 120.40 128.83 1nws s VAL 308 Ca -0.02 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.52 1nws s VAL 308 Cb -0.14 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1nws s VAL 308 CO -0.06 0.47 -0.18 -1.00 0.00 0.00 0.00 175.10 174.33 1nws s HIS 309 N -0.10 2.31 -0.28 5.22 3.76 -0.13 -4.99 115.29 121.09 1nws s HIS 309 Ca 0.17 -1.16 -0.26 0.00 -0.15 0.00 0.00 55.06 53.66 1nws s HIS 309 Cb -0.13 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 31.94 1nws s HIS 309 CO 0.06 -0.57 0.92 1.03 -0.85 0.00 0.00 174.74 175.33 1nws s ARG 310 N 0.98 4.11 -0.73 1.40 1.81 -1.26 -1.73 118.95 123.52 1nws s ARG 310 Ca -0.05 0.97 -0.27 0.00 -1.72 0.00 0.00 55.73 54.65 1nws s ARG 310 Cb -0.15 -3.69 0.03 0.00 -0.45 0.00 0.00 34.95 30.69 1nws s ARG 310 CO -0.03 -0.68 1.31 0.42 -0.68 0.00 0.00 175.30 175.64 1nws s ILE 311 N 3.15 3.70 0.29 1.52 1.01 -0.17 -4.98 121.20 125.73 1nws s ILE 311 Ca 0.39 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 1nws s ILE 311 Cb -0.14 -4.88 -0.13 0.00 0.01 0.00 0.00 42.46 37.33 1nws s ILE 311 CO 0.10 -1.82 1.40 0.18 0.00 0.00 0.00 174.94 174.81 1nws n LEU 312 N 9.53 3.56 0.00 2.97 4.77 -1.26 -1.80 117.00 134.78 1nws n LEU 312 Ca 0.04 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1nws n LEU 312 Cb 0.49 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1nws n LEU 312 CO 0.71 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1nws n GLY 313 N 1.56 2.82 0.01 -0.72 0.00 -1.26 -4.52 105.19 103.07 1nws n GLY 313 Ca 0.08 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1nws n GLY 313 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nws n GLN 314 N 0.00 0.86 -1.29 1.61 6.02 -0.74 -3.33 117.38 120.51 1nws n GLN 314 Ca 0.00 -0.10 -0.10 0.00 -0.01 0.00 0.00 57.00 56.79 1nws n GLN 314 Cb 0.00 -1.37 -0.04 0.00 1.02 0.00 0.00 30.24 29.85 1nws n GLN 314 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1nws n GLN 315 N -1.85 -1.19 -4.31 -1.09 1.13 -0.81 -1.12 117.38 108.15 1nws n GLN 315 Ca -0.01 0.80 -0.20 0.00 -1.94 0.00 0.00 57.00 55.65 1nws n GLN 315 Cb 0.38 -4.92 -0.11 0.00 0.11 0.00 0.00 30.24 25.70 1nws n GLN 315 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1nws s VAL 316 N -2.12 1.65 0.22 5.09 -7.23 -1.26 -4.57 120.40 112.19 1nws s VAL 316 Ca 0.00 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 1nws s VAL 316 Cb 0.00 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1nws s VAL 316 CO 0.00 -0.41 0.24 -2.16 -0.31 0.00 0.00 175.10 172.46 1nws s PRO 317 N -2.94 3.10 0.04 4.82 0.04 -1.25 -1.00 135.00 137.82 1nws s PRO 317 Ca 0.15 -0.90 0.02 0.00 0.04 0.00 0.00 61.00 60.31 1nws s PRO 317 Cb -0.04 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 1nws s PRO 317 CO 0.05 0.44 -0.07 1.52 0.04 0.00 0.00 177.00 178.98 1nws s TYR 318 N -1.98 0.64 0.06 0.56 -0.85 -0.71 -2.36 117.35 112.72 1nws s TYR 318 Ca 0.33 -0.48 0.07 0.00 -0.52 0.00 0.00 57.07 56.47 1nws s TYR 318 Cb -0.09 -0.39 -0.03 0.00 0.38 0.00 0.00 41.96 41.83 1nws s TYR 318 CO 0.26 -0.08 -0.20 0.00 -1.52 0.00 0.00 175.55 174.00 1nws s ALA 319 N -1.32 1.74 0.00 9.51 0.00 0.15 -0.96 121.76 130.88 1nws s ALA 319 Ca -0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 1nws s ALA 319 Cb -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1nws s ALA 319 CO 0.00 0.37 0.01 -0.08 0.00 0.00 0.00 175.76 176.07 1nws s THR 320 N -0.92 0.05 -0.27 0.00 -1.32 -0.56 -1.10 115.64 111.52 1nws s THR 320 Ca 0.07 -0.42 -0.13 0.00 -1.21 0.00 0.00 61.69 60.00 1nws s THR 320 Cb -0.09 -0.16 0.09 0.00 -1.51 0.00 0.00 72.50 70.83 1nws s THR 320 CO 0.03 -0.23 0.64 -0.75 -2.21 0.00 0.00 174.62 172.10 1nws s LYS 321 N -0.68 0.62 6.14 7.08 2.20 -0.96 -1.34 119.74 132.81 1nws s LYS 321 Ca -0.08 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1nws s LYS 321 Cb -0.05 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 1nws s LYS 321 CO -0.00 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 1nws n GLY 322 N 4.72 3.03 1.58 5.54 0.00 -1.26 -2.00 105.19 116.80 1nws n GLY 322 Ca -0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 1nws n GLY 322 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nws n ASN 323 N 1.40 4.08 -4.55 1.61 6.94 -1.26 -4.89 115.26 118.59 1nws n ASN 323 Ca 0.00 -2.78 -0.32 0.00 -0.02 0.00 0.00 54.58 51.46 1nws n ASN 323 Cb 0.00 -0.66 -0.11 0.00 -2.36 0.00 0.00 39.78 36.65 1nws n ASN 323 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1nws s GLN 324 N -2.24 2.43 -0.02 -3.83 -1.52 -0.84 -0.12 119.66 113.51 1nws s GLN 324 Ca 0.38 -0.78 0.00 0.00 -1.95 0.00 0.00 55.36 53.01 1nws s GLN 324 Cb 0.30 -2.41 0.03 0.00 -0.22 0.00 0.00 33.01 30.71 1nws s GLN 324 CO 0.10 0.59 0.02 -0.46 -0.25 0.00 0.00 175.29 175.29 1nws s TRP 325 N -0.95 0.11 -0.03 0.91 -0.00 -0.52 -2.25 118.94 116.21 1nws s TRP 325 Ca 0.16 0.10 -0.00 0.00 -0.00 0.00 0.00 56.10 56.35 1nws s TRP 325 Cb -0.11 -0.29 0.03 0.00 -0.00 0.00 0.00 33.47 33.10 1nws s TRP 325 CO 0.06 -0.10 0.03 0.54 -0.00 0.00 0.00 176.95 177.48 1nws s VAL 326 N 1.10 -0.02 -0.17 5.86 0.11 -0.26 -0.10 120.40 126.93 1nws s VAL 326 Ca -0.09 0.24 -0.12 0.00 -2.93 0.00 0.00 61.98 59.09 1nws s VAL 326 Cb -0.13 -0.14 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1nws s VAL 326 CO -0.03 0.13 0.22 -0.83 -3.33 0.00 0.00 175.10 171.26 1nws s GLY 327 N 1.36 2.15 0.11 6.54 0.00 -0.72 -0.68 107.32 116.08 1nws s GLY 327 Ca -0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.09 1nws s GLY 327 CO -0.03 0.25 0.18 1.58 0.00 0.00 0.00 173.10 175.09 1nws n TYR 328 N 3.38 -1.06 -4.35 1.90 4.11 -0.99 -1.74 117.16 118.40 1nws n TYR 328 Ca -0.14 -0.60 -0.29 0.00 -0.00 0.00 0.00 57.90 56.86 1nws n TYR 328 Cb 0.52 0.21 -0.12 0.00 -0.00 0.00 0.00 39.34 39.95 1nws n TYR 328 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1nws s ASP 329 N -1.61 3.56 0.33 9.48 1.01 -1.26 -3.79 116.67 124.40 1nws s ASP 329 Ca 0.06 -0.67 0.05 0.00 0.71 0.00 0.00 52.55 52.70 1nws s ASP 329 Cb -0.01 -0.36 -0.02 0.00 1.01 0.00 0.00 42.92 43.54 1nws s ASP 329 CO 0.05 0.18 0.32 1.51 0.21 0.00 0.00 175.17 177.43 1nws s ASP 330 N -2.12 1.47 0.23 0.27 1.47 -1.26 -4.95 116.67 111.78 1nws s ASP 330 Ca 0.16 -1.69 -0.15 0.00 1.18 0.00 0.00 52.55 52.04 1nws s ASP 330 Cb -0.10 0.58 0.26 0.00 -0.34 0.00 0.00 42.92 43.32 1nws s ASP 330 CO 0.08 -1.11 1.57 1.56 0.68 0.00 0.00 175.17 177.95 1nws h GLN 331 N 2.14 -0.04 -0.13 2.11 7.50 -1.92 0.67 115.11 125.44 1nws h GLN 331 Ca -0.26 0.00 0.01 0.00 0.50 0.00 0.00 58.65 58.90 1nws h GLN 331 Cb 1.23 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.76 1nws h GLN 331 CO 0.37 -0.03 0.07 1.49 -1.50 0.00 0.00 178.83 179.23 1nws h GLU 332 N -0.04 0.14 -0.47 1.46 4.81 -1.99 -1.53 114.58 116.95 1nws h GLU 332 Ca 0.34 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.43 1nws h GLU 332 Cb 0.60 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1nws h GLU 332 CO -0.86 0.09 -0.24 0.66 -0.73 0.00 0.00 179.01 177.93 1nws h SER 333 N 0.14 1.03 -0.18 1.04 4.64 -1.42 -2.36 113.55 116.44 1nws h SER 333 Ca 0.05 -0.40 -0.06 0.00 -0.47 0.00 0.00 61.79 60.90 1nws h SER 333 Cb 0.00 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 1nws h SER 333 CO -0.03 1.20 -0.07 -0.37 -0.87 0.00 0.00 176.83 176.69 1nws h VAL 334 N 0.85 1.22 -0.05 0.95 -1.51 -0.85 -0.44 116.25 116.42 1nws h VAL 334 Ca 0.10 -0.92 0.01 0.00 -1.23 0.00 0.00 66.70 64.66 1nws h VAL 334 Cb 0.82 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 1nws h VAL 334 CO 0.07 0.31 -0.01 0.50 -1.23 0.00 0.00 177.57 177.21 1nws h LYS 335 N 0.48 -0.00 -0.79 5.19 3.64 -1.04 0.12 116.57 124.16 1nws h LYS 335 Ca 0.10 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1nws h LYS 335 Cb 0.43 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1nws h LYS 335 CO 0.02 -0.00 0.50 0.77 -2.27 0.00 0.00 179.45 178.47 1nws h SER 336 N -0.00 0.81 -0.35 4.20 0.02 -0.90 0.61 113.55 117.93 1nws h SER 336 Ca 0.02 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1nws h SER 336 Cb 0.04 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1nws h SER 336 CO -0.05 0.55 0.00 0.11 -1.14 0.00 0.00 176.83 176.30 1nws h LYS 337 N 0.95 0.71 -0.24 3.45 1.57 -0.45 0.98 116.57 123.55 1nws h LYS 337 Ca 0.33 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1nws h LYS 337 Cb 0.06 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1nws h LYS 337 CO -0.13 0.73 -0.20 0.28 -0.57 0.00 0.00 179.45 179.55 1nws h VAL 338 N 0.67 1.31 -0.43 0.50 2.07 -0.09 -1.63 116.25 118.66 1nws h VAL 338 Ca 0.14 -1.35 0.09 0.00 0.82 0.00 0.00 66.70 66.40 1nws h VAL 338 Cb 0.41 1.65 -0.09 0.00 -1.52 0.00 0.00 31.29 31.74 1nws h VAL 338 CO 0.02 0.42 -0.18 -0.61 0.02 0.00 0.00 177.57 177.24 1nws h GLN 339 N 0.27 -0.09 -0.08 1.57 5.75 -0.38 -0.01 115.11 122.15 1nws h GLN 339 Ca 0.04 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1nws h GLN 339 Cb 0.74 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.27 1nws h GLN 339 CO 0.05 -0.06 -0.16 -0.92 -2.65 0.00 0.00 178.83 175.10 1nws h TYR 340 N -0.09 -0.40 -0.58 3.99 3.20 -0.59 -0.92 116.97 121.58 1nws h TYR 340 Ca 0.21 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 1nws h TYR 340 Cb 0.41 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1nws h TYR 340 CO -0.43 -0.23 0.10 1.37 -1.64 0.00 0.00 178.16 177.34 1nws h LEU 341 N -0.22 0.88 -0.30 2.82 8.10 -0.49 -1.36 115.31 124.74 1nws h LEU 341 Ca 0.08 -0.19 -0.03 0.00 0.11 0.00 0.00 57.88 57.85 1nws h LEU 341 Cb 0.33 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.30 1nws h LEU 341 CO -0.21 0.88 0.08 0.11 -4.11 0.00 0.00 178.44 175.20 1nws h LYS 342 N 0.88 0.47 0.00 0.17 1.57 -0.81 0.98 116.57 119.84 1nws h LYS 342 Ca 0.18 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1nws h LYS 342 Cb 0.37 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1nws h LYS 342 CO 0.01 0.53 0.00 -0.44 -0.57 0.00 0.00 179.45 178.97 1nws h ASP 343 N 0.32 0.00 0.03 0.86 3.32 -0.71 0.41 116.42 120.64 1nws h ASP 343 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1nws h ASP 343 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1nws h ASP 343 CO -0.00 0.00 -0.45 0.54 -1.72 0.00 0.00 179.24 177.61 1nws n ARG 344 N -2.75 1.13 -3.37 3.56 5.12 -0.28 -4.99 116.66 115.08 1nws n ARG 344 Ca -0.02 -0.90 -0.16 0.00 -1.93 0.00 0.00 57.85 54.84 1nws n ARG 344 Cb 0.08 -1.48 0.08 0.00 -1.16 0.00 0.00 32.46 29.98 1nws n ARG 344 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1nws n GLN 345 N -0.16 -4.94 -3.29 5.56 6.02 0.14 -4.95 117.38 115.76 1nws n GLN 345 Ca 0.10 0.85 -0.22 0.00 -0.01 0.00 0.00 57.00 57.72 1nws n GLN 345 Cb 0.45 -5.85 -0.00 0.00 1.02 0.00 0.00 30.24 25.86 1nws n GLN 345 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nws s LEU 346 N -6.00 3.88 0.53 1.08 1.43 -0.80 -4.06 118.68 114.75 1nws s LEU 346 Ca 0.18 0.20 0.19 0.00 -1.03 0.00 0.00 54.13 53.66 1nws s LEU 346 Cb -0.02 -3.08 1.37 0.00 0.03 0.00 0.00 46.19 44.49 1nws s LEU 346 CO 0.74 -0.47 2.17 0.00 0.23 0.00 0.00 176.35 179.01 1nws h ALA 347 N 0.68 1.92 0.00 4.21 0.00 0.13 -3.47 119.26 122.72 1nws h ALA 347 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1nws h ALA 347 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nws h ALA 347 CO 0.58 -0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1nws n GLY 348 N -1.50 -0.14 3.61 0.00 0.00 -1.23 0.01 105.19 105.94 1nws n GLY 348 Ca -0.03 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 1nws n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nws s ALA 349 N -1.00 3.05 -0.04 4.61 0.00 -0.88 -1.08 121.76 126.41 1nws s ALA 349 Ca 0.00 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 50.84 1nws s ALA 349 Cb 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1nws s ALA 349 CO 0.00 0.65 -0.19 1.41 0.00 0.00 0.00 175.76 177.63 1nws s MET 350 N -2.09 2.42 -0.09 0.00 0.00 0.61 -1.71 119.30 118.44 1nws s MET 350 Ca 0.22 -0.80 0.03 0.00 0.00 0.00 0.00 55.69 55.14 1nws s MET 350 Cb -0.11 -2.25 -0.01 0.00 0.00 0.00 0.00 34.83 32.46 1nws s MET 350 CO 0.14 0.55 -0.20 0.08 0.00 0.00 0.00 175.02 175.59 1nws s VAL 351 N -0.57 2.44 -0.24 10.11 1.01 0.88 0.80 120.40 134.82 1nws s VAL 351 Ca 0.08 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1nws s VAL 351 Cb -0.11 -1.95 0.07 0.00 0.00 0.00 0.00 36.38 34.39 1nws s VAL 351 CO 0.01 0.55 0.04 0.86 0.00 0.00 0.00 175.10 176.56 1nws s TRP 352 N 0.12 1.58 0.14 5.22 -0.11 -1.01 -1.73 118.94 123.15 1nws s TRP 352 Ca -0.10 -1.37 -0.02 0.00 1.22 0.00 0.00 56.10 55.84 1nws s TRP 352 Cb -0.16 -1.39 -0.04 0.00 -1.50 0.00 0.00 33.47 30.38 1nws s TRP 352 CO 0.06 -0.74 0.08 0.00 -4.62 0.00 0.00 176.95 171.73 1nws s ALA 353 N 1.67 0.85 0.46 5.86 0.00 -1.26 -1.25 121.76 128.09 1nws s ALA 353 Ca 0.02 -1.47 0.16 0.00 0.00 0.00 0.00 51.96 50.67 1nws s ALA 353 Cb -0.18 0.94 1.12 0.00 0.00 0.00 0.00 23.12 25.00 1nws s ALA 353 CO -0.13 -0.51 2.01 -0.07 0.00 0.00 0.00 175.76 177.05 1nws h LEU 354 N 2.81 0.26 -0.07 0.00 3.38 -1.01 -0.14 115.31 120.54 1nws h LEU 354 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1nws h LEU 354 Cb 1.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1nws h LEU 354 CO 0.57 0.16 -0.01 -0.90 0.09 0.00 0.00 178.44 178.36 1nws n ASP 355 N -4.46 0.12 -0.00 -0.43 5.68 -1.26 -3.11 116.55 113.08 1nws n ASP 355 Ca 0.08 -0.87 0.07 0.00 -0.50 0.00 0.00 54.79 53.58 1nws n ASP 355 Cb 0.37 -0.05 -0.10 0.00 -1.14 0.00 0.00 41.12 40.20 1nws n ASP 355 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1nws n LEU 356 N -0.97 0.48 -4.89 -2.12 4.77 -0.08 -4.89 117.00 109.30 1nws n LEU 356 Ca 0.22 -0.34 -0.29 0.00 -0.03 0.00 0.00 56.01 55.56 1nws n LEU 356 Cb 0.16 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1nws n LEU 356 CO 0.19 0.12 0.70 -0.62 -1.33 0.00 0.00 177.39 176.45 1nws s ASP 357 N -2.87 5.61 -1.13 -1.43 -1.08 -1.14 -1.07 116.67 113.56 1nws s ASP 357 Ca 0.02 1.09 -0.23 0.00 -0.52 0.00 0.00 52.55 52.91 1nws s ASP 357 Cb 0.11 -1.97 -0.06 0.00 -1.46 0.00 0.00 42.92 39.54 1nws s ASP 357 CO 0.63 -1.20 1.90 -0.62 0.52 0.00 0.00 175.17 176.41 1nws s ASP 358 N -4.32 5.28 0.18 -0.34 2.15 -1.26 -4.65 116.67 113.72 1nws s ASP 358 Ca 0.57 -1.51 0.26 0.00 0.43 0.00 0.00 52.55 52.30 1nws s ASP 358 Cb -0.11 -2.58 0.88 0.00 -0.30 0.00 0.00 42.92 40.81 1nws s ASP 358 CO 0.51 -2.77 1.78 2.22 -0.17 0.00 0.00 175.17 176.74 1nws n PHE 359 N 13.52 0.78 0.01 -5.34 1.16 -1.26 -0.40 117.46 125.93 1nws n PHE 359 Ca 0.44 0.24 -0.12 0.00 -1.87 0.00 0.00 57.45 56.14 1nws n PHE 359 Cb 0.47 -0.89 -0.14 0.00 -1.61 0.00 0.00 39.48 37.31 1nws n PHE 359 CO 0.00 0.00 0.00 1.96 -1.87 0.00 0.00 176.76 176.85 1nws h GLN 360 N 0.00 0.09 0.00 3.97 1.08 -1.92 -3.42 115.11 114.91 1nws h GLN 360 Ca 0.00 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1nws h GLN 360 Cb 0.65 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1nws h GLN 360 CO 0.00 0.80 0.00 0.41 -0.95 0.00 0.00 178.83 179.09 1nws n GLY 361 N 1.61 0.65 0.09 3.46 0.00 -1.13 -4.78 105.19 105.09 1nws n GLY 361 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 1nws n GLY 361 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nws n SER 362 N -0.01 0.80 0.03 1.61 3.41 -1.26 -2.93 113.62 115.27 1nws n SER 362 Ca 0.00 0.36 -0.19 0.00 -0.26 0.00 0.00 58.87 58.79 1nws n SER 362 Cb 0.00 0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 63.97 1nws n SER 362 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1nws h PHE 363 N 0.00 0.57 -0.29 7.33 -1.00 -1.90 -3.33 116.94 118.32 1nws h PHE 363 Ca -0.24 -0.36 0.00 0.00 2.81 0.00 0.00 57.97 60.18 1nws h PHE 363 Cb 1.81 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 41.32 1nws h PHE 363 CO 0.00 1.23 0.00 0.00 -1.61 0.00 0.00 178.31 177.93 1nws n GLY 365 N 0.86 -1.41 4.60 0.00 0.00 -1.25 -4.83 105.19 103.16 1nws n GLY 365 Ca 0.10 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1nws n GLY 365 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nws n GLN 366 N -0.87 0.00 -0.27 1.61 1.13 -1.26 -3.50 117.38 114.22 1nws n GLN 366 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1nws n GLN 366 Cb 0.00 -3.51 0.00 0.00 0.11 0.00 0.00 30.24 26.84 1nws n GLN 366 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1nws n ASP 367 N 0.00 0.00 -4.73 1.08 8.00 -1.15 -4.88 116.55 114.87 1nws n ASP 367 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1nws n ASP 367 Cb 0.00 -1.94 -0.02 0.00 -0.02 0.00 0.00 41.12 39.14 1nws n ASP 367 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nws s LEU 368 N 0.00 4.37 0.18 0.64 2.96 -1.23 -4.62 118.68 120.98 1nws s LEU 368 Ca 0.00 2.76 -0.11 0.00 -0.22 0.00 0.00 54.13 56.56 1nws s LEU 368 Cb 0.00 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 1nws s LEU 368 CO 0.00 -0.84 0.52 -0.13 -1.32 0.00 0.00 176.35 174.58 1nws s ARG 369 N 0.28 3.84 -1.36 1.98 0.52 -1.26 -4.14 118.95 118.81 1nws s ARG 369 Ca 0.66 0.31 -0.04 0.00 -0.52 0.00 0.00 55.73 56.13 1nws s ARG 369 Cb -0.45 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 32.22 1nws s ARG 369 CO 0.39 0.41 0.48 1.19 0.02 0.00 0.00 175.30 177.79 1nws n PHE 370 N 0.32 -1.67 -0.19 -0.53 3.72 0.46 -4.74 117.46 114.83 1nws n PHE 370 Ca -0.03 0.67 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 1nws n PHE 370 Cb 0.52 -3.65 0.09 0.00 -0.94 0.00 0.00 39.48 35.50 1nws n PHE 370 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1nws h PRO 371 N -1.87 0.11 0.01 -1.08 0.13 -1.77 0.38 132.00 127.91 1nws h PRO 371 Ca -0.64 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1nws h PRO 371 Cb 1.37 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1nws h PRO 371 CO 0.60 0.07 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.36 1nws h LEU 372 N 0.11 -0.01 -0.47 1.56 3.38 -1.94 -1.15 115.31 116.79 1nws h LEU 372 Ca 0.30 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nws h LEU 372 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1nws h LEU 372 CO -0.51 0.34 0.24 0.74 0.09 0.00 0.00 178.44 179.35 1nws h THR 373 N -0.37 1.18 -0.60 0.22 2.02 -1.86 -0.60 112.91 112.89 1nws h THR 373 Ca -0.00 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1nws h THR 373 Cb 0.36 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1nws h THR 373 CO 0.00 0.19 0.24 0.78 0.37 0.00 0.00 175.52 177.10 1nws h ASN 374 N 0.62 0.81 -0.48 4.18 2.35 -0.28 0.16 115.58 122.94 1nws h ASN 374 Ca 0.16 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1nws h ASN 374 Cb 0.08 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1nws h ASN 374 CO -0.02 0.73 0.32 0.00 -1.65 0.00 0.00 177.43 176.80 1nws h ALA 375 N 1.39 0.61 -0.50 -0.83 0.00 -0.48 0.85 119.26 120.30 1nws h ALA 375 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1nws h ALA 375 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1nws h ALA 375 CO -0.02 0.05 0.23 0.82 0.00 0.00 0.00 179.25 180.33 1nws h ILE 376 N 0.65 1.20 -0.68 0.00 2.04 -0.28 -1.39 117.51 119.04 1nws h ILE 376 Ca 0.18 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1nws h ILE 376 Cb -0.07 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1nws h ILE 376 CO -0.04 0.23 0.37 0.50 0.00 0.00 0.00 178.15 179.20 1nws h LYS 377 N 0.67 0.96 -0.00 2.37 3.64 -0.52 -1.66 116.57 122.02 1nws h LYS 377 Ca 0.17 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1nws h LYS 377 Cb 0.14 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1nws h LYS 377 CO -0.02 0.72 0.00 -0.44 -2.27 0.00 0.00 179.45 177.45 1nws h ASP 378 N 0.94 0.00 -1.00 4.20 3.32 -0.54 -2.74 116.42 120.61 1nws h ASP 378 Ca 0.24 -0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.26 1nws h ASP 378 Cb 0.05 -0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.52 1nws h ASP 378 CO -0.04 0.12 0.64 0.00 -1.72 0.00 0.00 179.24 178.24 1nws h ALA 379 N 0.88 1.45 -0.48 3.45 0.00 -1.06 -0.50 119.26 122.99 1nws h ALA 379 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1nws h ALA 379 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1nws h ALA 379 CO -0.00 0.33 0.15 -0.07 0.00 0.00 0.00 179.25 179.65 1nws h LEU 380 N 1.08 0.65 0.00 0.00 3.38 -1.06 -2.68 115.31 116.67 1nws h LEU 380 Ca 0.46 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.27 1nws h LEU 380 Cb 0.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1nws h LEU 380 CO -0.22 0.62 -0.70 0.00 0.09 0.00 0.00 178.44 178.23 1nws h ALA 381 N 1.47 0.71 -2.10 1.53 0.00 -1.06 -3.48 119.26 116.33 1nws h ALA 381 Ca 0.16 -0.34 -0.47 0.00 0.00 0.00 0.00 54.91 54.25 1nws h ALA 381 Cb 0.21 0.04 0.22 0.00 0.00 0.00 0.00 17.79 18.25 1nws h ALA 381 CO -0.01 0.42 -0.16 0.00 0.00 0.00 0.00 179.25 179.50 1nws n ALA 382 N -2.23 -2.51 -0.60 0.00 0.00 -0.28 -5.12 120.51 109.78 1nws n ALA 382 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1nws n ALA 382 Cb 0.67 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1nws n ALA 382 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91