#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 4.39 -0.54 -0.72 1.02 0.52 -4.95 119.74 119.46 1nws s LYS 23 Ca 0.00 1.63 0.04 0.00 0.02 0.00 0.00 55.97 57.66 1nws s LYS 23 Cb 0.00 -2.84 0.16 0.00 -0.52 0.00 0.00 37.83 34.63 1nws s LYS 23 CO 0.00 0.03 0.37 -1.17 -0.92 0.00 0.00 175.35 173.67 1nws s LEU 24 N -2.08 3.16 -0.27 3.17 2.96 -1.26 -1.90 118.68 122.46 1nws s LEU 24 Ca 0.51 -3.27 -0.29 0.00 -0.22 0.00 0.00 54.13 50.87 1nws s LEU 24 Cb -0.26 -1.09 0.00 0.00 0.50 0.00 0.00 46.19 45.34 1nws s LEU 24 CO 0.33 -0.16 1.24 -0.69 -1.32 0.00 0.00 176.35 175.75 1nws s VAL 25 N -0.48 4.26 -0.08 1.68 1.01 -0.57 -2.15 120.40 124.08 1nws s VAL 25 Ca 0.25 1.46 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 0.00 175.10 174.42 1nws s TYR 27 N -0.26 3.63 -0.07 0.00 2.02 -0.75 0.37 117.35 122.29 1nws s TYR 27 Ca 0.01 0.68 0.04 0.00 -0.37 0.00 0.00 57.07 57.42 1nws s TYR 27 Cb -0.13 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.38 1nws s TYR 27 CO 0.03 0.68 -0.18 -0.47 -1.57 0.00 0.00 175.55 174.04 1nws s TYR 28 N -1.11 1.89 -0.22 2.71 5.04 0.27 0.08 117.35 126.00 1nws s TYR 28 Ca 0.21 -0.67 -0.07 0.00 -2.44 0.00 0.00 57.07 54.10 1nws s TYR 28 Cb -0.14 -1.30 -0.03 0.00 0.35 0.00 0.00 41.96 40.85 1nws s TYR 28 CO 0.10 -0.27 0.06 0.95 -1.34 0.00 0.00 175.55 175.04 1nws s THR 29 N 0.32 4.39 0.53 4.34 -4.23 -1.26 -0.77 115.64 118.96 1nws s THR 29 Ca -0.12 -0.16 0.23 0.00 -1.18 0.00 0.00 61.69 60.47 1nws s THR 29 Cb -0.15 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 70.97 1nws s THR 29 CO 0.05 0.39 2.18 0.77 -0.54 0.00 0.00 174.62 177.46 1nws h SER 30 N 7.67 0.00 0.55 3.99 4.64 -1.05 -1.90 113.55 127.44 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 0.03 0.00 -2.67 -0.87 0.00 0.00 176.83 173.93 1nws n TRP 31 N -4.12 0.00 0.67 4.77 2.14 -1.26 -2.88 117.44 116.76 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 0.12 -0.36 0.40 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 -1.36 0.00 0.15 -0.67 3.41 -0.71 -2.89 113.62 111.54 1nws n SER 32 Ca 0.09 0.41 0.01 0.00 -0.26 0.00 0.00 58.87 59.12 1nws n SER 32 Cb 0.21 -0.46 0.31 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.10 -0.00 4.33 3.07 -1.45 -1.19 115.11 119.97 1nws h GLN 33 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1nws h GLN 33 Cb 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1nws h GLN 33 CO 0.00 0.46 -0.04 0.66 0.09 0.00 0.00 178.83 180.00 1nws n TYR 34 N -4.08 0.00 -1.72 0.06 4.01 -1.14 -4.28 117.16 110.00 1nws n TYR 34 Ca -0.02 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 1nws n TYR 34 Cb 0.42 -0.45 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 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 2.44 -1.05 -0.72 5.12 -1.16 -4.88 116.66 114.95 1nws n ARG 35 Ca 0.08 0.86 -0.34 0.00 -1.93 0.00 0.00 57.85 56.52 1nws n ARG 35 Cb 0.33 -2.58 0.11 0.00 -1.16 0.00 0.00 32.46 29.16 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 1.69 0.05 0.00 5.56 1.02 -1.26 -1.17 120.64 126.54 1nws n GLU 36 Ca 0.08 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1nws n GLU 36 Cb 0.35 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 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 1.20 1.67 0.15 0.62 0.00 -1.26 0.09 105.19 107.65 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 -0.01 0.49 -0.22 1.61 8.00 -1.26 -1.56 116.55 123.59 1nws n ASP 38 Ca 0.00 0.72 -0.04 0.00 0.71 0.00 0.00 54.79 56.18 1nws n ASP 38 Cb 0.00 -0.78 0.14 0.00 -0.02 0.00 0.00 41.12 40.46 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 1.11 -5.54 0.44 0.00 -0.56 -3.44 103.07 95.08 1nws h GLY 39 Ca 0.00 -0.59 -0.66 0.00 0.00 0.00 0.00 47.33 46.08 1nws h GLY 39 CO 0.00 0.56 0.70 -1.26 0.00 0.00 0.00 176.54 176.53 1nws n SER 40 N -4.29 2.34 -3.97 0.19 2.88 -0.31 -4.68 113.62 105.78 1nws n SER 40 Ca 0.06 1.09 -0.23 0.00 -1.33 0.00 0.00 58.87 58.45 1nws n SER 40 Cb 0.18 -1.26 -0.17 0.00 -0.75 0.00 0.00 64.21 62.22 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 0.88 2.08 0.45 0.00 0.40 -1.26 -3.06 117.98 117.48 1nws s PHE 42 Ca -0.11 -0.40 0.27 0.00 -0.60 0.00 0.00 56.93 56.10 1nws s PHE 42 Cb -0.15 -1.09 1.33 0.00 0.51 0.00 0.00 43.02 43.62 1nws s PHE 42 CO 0.01 0.34 1.74 -1.35 0.70 0.00 0.00 175.22 176.66 1nws h PRO 43 N 3.66 0.19 0.00 0.24 0.11 -1.91 0.13 132.00 134.43 1nws h PRO 43 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1nws h PRO 43 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1nws h PRO 43 CO 0.43 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1nws n ASP 44 N -4.49 0.20 -0.79 -2.05 5.75 -1.26 -1.96 116.55 111.94 1nws n ASP 44 Ca 0.29 0.55 0.11 0.00 -0.01 0.00 0.00 54.79 55.73 1nws n ASP 44 Cb 1.16 -0.59 0.30 0.00 -1.03 0.00 0.00 41.12 40.95 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 -1.58 2.48 -2.44 2.12 0.00 0.46 -4.91 120.51 116.63 1nws n ALA 45 Ca 0.03 -0.71 -0.37 0.00 0.00 0.00 0.00 53.44 52.39 1nws n ALA 45 Cb 0.18 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.50 4.43 -0.38 0.00 1.43 -0.83 -4.97 118.68 116.85 1nws s LEU 46 Ca 0.34 1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 1nws s LEU 46 Cb 0.19 -2.89 0.01 0.00 0.03 0.00 0.00 46.19 43.54 1nws s LEU 46 CO 0.28 0.23 1.25 -0.62 0.23 0.00 0.00 176.35 177.72 1nws s ASP 47 N -1.38 6.62 0.62 2.29 -1.08 -1.26 -4.91 116.67 117.56 1nws s ASP 47 Ca 0.30 0.87 0.35 0.00 -0.52 0.00 0.00 52.55 53.55 1nws s ASP 47 Cb -0.16 -2.54 2.04 0.00 -1.46 0.00 0.00 42.92 40.80 1nws s ASP 47 CO 0.17 -1.19 2.30 0.08 0.52 0.00 0.00 175.17 177.04 1nws h ARG 48 N 9.44 0.00 -0.01 4.34 0.11 -1.96 -2.31 114.38 124.00 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 1.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1nws h ARG 48 CO 1.07 0.00 -0.76 1.19 0.10 0.00 0.00 179.97 181.58 1nws n PHE 49 N -3.56 0.00 0.10 4.08 3.72 -1.26 -4.60 117.46 115.94 1nws n PHE 49 Ca -0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 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 0.96 -0.17 -9.78 4.37 5.85 -1.82 -3.46 115.31 111.26 1nws h LEU 50 Ca 0.00 -0.10 -0.57 0.00 0.84 0.00 0.00 57.88 58.05 1nws h LEU 50 Cb 0.60 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 1nws h LEU 50 CO 0.00 -0.01 -0.55 0.00 -0.34 0.00 0.00 178.44 177.55 1nws n THR 52 N -1.12 1.01 -4.02 0.00 -2.24 -0.91 -4.85 114.28 102.15 1nws n THR 52 Ca -0.03 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 60.91 1nws n THR 52 Cb 0.63 -0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.93 0.28 -0.10 4.78 3.76 -1.16 -0.91 115.29 119.03 1nws s HIS 53 Ca -0.06 -0.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.83 1nws s HIS 53 Cb 0.09 -0.22 0.02 0.00 1.11 0.00 0.00 32.58 33.58 1nws s HIS 53 CO 0.84 -0.03 -0.14 0.42 -0.85 0.00 0.00 174.74 174.98 1nws s ILE 54 N 0.11 1.37 -0.17 0.60 1.01 -0.71 -0.47 121.20 122.94 1nws s ILE 54 Ca -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 1nws s ILE 54 Cb -0.03 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1nws s ILE 54 CO -0.00 0.41 -0.03 -0.63 0.00 0.00 0.00 174.94 174.69 1nws s ILE 55 N 0.97 3.90 -0.13 2.92 1.01 0.16 -1.69 121.20 128.34 1nws s ILE 55 Ca -0.08 -0.35 -0.22 0.00 0.00 0.00 0.00 60.65 60.01 1nws s ILE 55 Cb -0.15 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 1nws s ILE 55 CO -0.01 0.47 0.65 -0.47 0.00 0.00 0.00 174.94 175.59 1nws s TYR 56 N 0.57 3.49 -0.08 3.97 6.14 -0.08 -0.56 117.35 130.81 1nws s TYR 56 Ca -0.02 1.08 0.03 0.00 0.64 0.00 0.00 57.07 58.80 1nws s TYR 56 Cb -0.14 -2.78 0.01 0.00 0.42 0.00 0.00 41.96 39.47 1nws s TYR 56 CO 0.02 -0.01 -0.16 -1.12 0.64 0.00 0.00 175.55 174.92 1nws s SER 57 N 0.93 2.23 0.18 4.32 0.01 0.05 -0.19 113.70 121.23 1nws s SER 57 Ca 0.33 -0.39 0.04 0.00 1.31 0.00 0.00 55.95 57.24 1nws s SER 57 Cb -0.17 -1.01 -0.05 0.00 0.21 0.00 0.00 66.02 65.01 1nws s SER 57 CO 0.14 0.08 -0.05 -0.36 0.41 0.00 0.00 173.24 173.46 1nws s PHE 58 N 0.52 1.35 0.01 2.43 0.08 -1.26 -0.31 117.98 120.80 1nws s PHE 58 Ca -0.15 -0.86 -0.02 0.00 0.12 0.00 0.00 56.93 56.02 1nws s PHE 58 Cb -0.16 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 1nws s PHE 58 CO 0.05 -0.02 0.18 0.00 -0.10 0.00 0.00 175.22 175.34 1nws s ALA 59 N -3.42 3.94 0.52 5.36 0.00 0.16 -4.47 121.76 123.85 1nws s ALA 59 Ca 0.22 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1nws s ALA 59 Cb 0.04 -1.84 0.09 0.00 0.00 0.00 0.00 23.12 21.42 1nws s ALA 59 CO 0.04 0.77 0.69 -1.71 0.00 0.00 0.00 175.76 175.54 1nws n ASN 60 N 0.74 1.51 -3.69 0.00 5.15 0.51 -2.83 115.26 116.65 1nws n ASN 60 Ca -0.09 -2.14 -0.25 0.00 -0.60 0.00 0.00 54.58 51.51 1nws n ASN 60 Cb 0.52 -0.39 -0.17 0.00 -0.53 0.00 0.00 39.78 39.21 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 -2.03 0.20 -0.07 -1.44 1.01 -1.26 -1.21 121.20 116.41 1nws s ILE 61 Ca 0.50 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 61.06 1nws s ILE 61 Cb -0.04 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.80 1nws s ILE 61 CO 0.32 -0.06 -0.17 -0.44 0.00 0.00 0.00 174.94 174.59 1nws s SER 62 N 2.02 2.29 -1.46 3.58 0.01 -0.54 -4.68 113.70 114.92 1nws s SER 62 Ca 0.02 -0.39 -0.09 0.00 1.31 0.00 0.00 55.95 56.80 1nws s SER 62 Cb -0.15 -0.90 0.04 0.00 0.21 0.00 0.00 66.02 65.23 1nws s SER 62 CO -0.07 0.11 0.85 0.59 0.41 0.00 0.00 173.24 175.14 1nws n ASN 63 N 3.48 -5.44 -3.08 2.44 3.02 -1.26 -1.05 115.26 113.37 1nws n ASN 63 Ca -0.20 -0.52 -0.22 0.00 -0.03 0.00 0.00 54.58 53.61 1nws n ASN 63 Cb 0.52 -4.36 0.02 0.00 -0.61 0.00 0.00 39.78 35.36 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 -2.71 -5.53 -4.09 6.41 8.00 -1.26 -4.92 116.55 112.45 1nws n ASP 64 Ca -0.02 -0.30 -0.23 0.00 0.71 0.00 0.00 54.79 54.96 1nws n ASP 64 Cb 0.56 -4.49 -0.15 0.00 -0.02 0.00 0.00 41.12 37.02 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 -3.11 1.31 0.21 1.24 3.76 -0.21 -1.13 115.29 117.36 1nws s HIS 65 Ca 0.32 -0.31 -0.31 0.00 -0.15 0.00 0.00 55.06 54.60 1nws s HIS 65 Cb -0.15 -0.88 -0.11 0.00 1.11 0.00 0.00 32.58 32.55 1nws s HIS 65 CO 0.39 -0.09 1.61 -1.50 -0.85 0.00 0.00 174.74 174.30 1nws s ILE 66 N -0.07 2.34 0.11 0.60 1.10 -1.26 -1.46 121.20 122.56 1nws s ILE 66 Ca 0.00 0.25 -0.10 0.00 -0.51 0.00 0.00 60.65 60.29 1nws s ILE 66 Cb -0.08 -3.16 0.00 0.00 0.15 0.00 0.00 42.46 39.37 1nws s ILE 66 CO 0.01 0.03 0.25 -0.62 -2.11 0.00 0.00 174.94 172.49 1nws s ASP 67 N 0.97 0.04 1.00 4.50 2.15 -0.35 -4.88 116.67 120.11 1nws s ASP 67 Ca 0.69 -0.66 -0.12 0.00 0.43 0.00 0.00 52.55 52.90 1nws s ASP 67 Cb -0.46 0.39 0.19 0.00 -0.30 0.00 0.00 42.92 42.73 1nws s ASP 67 CO 0.35 -0.79 1.08 0.42 -0.17 0.00 0.00 175.17 176.06 1nws s THR 68 N -3.88 2.29 0.05 1.71 -4.23 -1.26 -0.36 115.64 109.95 1nws s THR 68 Ca 0.08 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1nws s THR 68 Cb 0.04 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1nws s THR 68 CO -0.08 -0.12 0.00 1.87 -0.54 0.00 0.00 174.62 175.74 1nws n TRP 69 N -4.31 -0.02 -3.15 3.99 -0.00 -1.26 -4.21 117.44 108.48 1nws n TRP 69 Ca 0.06 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.18 1nws n TRP 69 Cb 0.55 0.01 -0.06 0.00 -0.00 0.00 0.00 31.31 31.81 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 -2.00 4.36 0.54 5.87 2.56 -1.26 -4.95 118.70 123.82 1nws s GLU 70 Ca 0.00 0.89 0.42 0.00 0.00 0.00 0.00 54.97 56.28 1nws s GLU 70 Cb 0.00 -3.28 1.61 0.00 2.00 0.00 0.00 34.13 34.46 1nws s GLU 70 CO 0.00 0.52 1.70 0.11 -0.56 0.00 0.00 175.26 177.03 1nws h TRP 71 N 4.85 0.04 -0.31 5.30 5.08 -2.03 0.42 115.95 129.31 1nws h TRP 71 Ca -0.47 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.41 1nws h TRP 71 Cb 1.21 -0.01 -0.05 0.00 -3.00 0.00 0.00 29.16 27.30 1nws h TRP 71 CO 0.66 -0.01 -0.01 0.27 -1.28 0.00 0.00 178.44 178.07 1nws n ASN 72 N -4.12 3.21 0.00 0.11 6.94 -1.26 -4.77 115.26 115.37 1nws n ASN 72 Ca 0.34 -3.36 -0.10 0.00 -0.02 0.00 0.00 54.58 51.44 1nws n ASN 72 Cb 1.56 -0.59 -0.04 0.00 -2.36 0.00 0.00 39.78 38.36 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 1.35 -0.87 -0.65 0.53 3.32 -1.30 -1.76 116.42 117.05 1nws h ASP 73 Ca 0.11 0.13 0.14 0.00 0.02 0.00 0.00 57.03 57.43 1nws h ASP 73 Cb 1.56 0.38 -0.11 0.00 0.22 0.00 0.00 39.33 41.37 1nws h ASP 73 CO 0.31 -0.33 -0.01 0.58 -1.72 0.00 0.00 179.24 178.07 1nws h VAL 74 N -0.35 0.45 -0.27 -1.35 2.07 -1.86 1.05 116.25 115.99 1nws h VAL 74 Ca 0.10 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1nws h VAL 74 Cb 0.50 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1nws h VAL 74 CO -0.33 0.02 0.10 0.74 0.02 0.00 0.00 177.57 178.12 1nws h THR 75 N 0.11 0.93 -0.10 2.57 2.02 -1.80 -1.63 112.91 115.01 1nws h THR 75 Ca 0.34 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.36 1nws h THR 75 Cb 0.56 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1nws h THR 75 CO -0.56 0.04 -0.32 -0.07 0.37 0.00 0.00 175.52 174.98 1nws h LEU 76 N 0.22 0.18 0.12 2.58 3.38 -0.05 -1.86 115.31 119.89 1nws h LEU 76 Ca 0.12 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1nws h LEU 76 Cb 0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1nws h LEU 76 CO -0.12 0.50 -0.20 1.88 0.09 0.00 0.00 178.44 180.60 1nws h TYR 77 N 0.16 -0.52 -0.47 1.13 0.05 0.19 0.14 116.97 117.66 1nws h TYR 77 Ca 0.02 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 1nws h TYR 77 Cb 0.65 0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.58 1nws h TYR 77 CO 0.01 -0.29 0.11 0.78 -1.05 0.00 0.00 178.16 177.72 1nws h GLY 78 N -0.38 0.76 1.02 3.88 0.00 -1.21 0.18 103.07 107.31 1nws h GLY 78 Ca 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1nws h GLY 78 CO -0.10 0.39 0.48 1.98 0.00 0.00 0.00 176.54 179.29 1nws h MET 79 N 0.68 1.14 -0.05 4.80 -1.53 -0.64 0.15 114.93 119.49 1nws h MET 79 Ca 0.15 -0.12 -0.03 0.00 -3.44 0.00 0.00 59.70 56.26 1nws h MET 79 Cb 0.26 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 31.07 1nws h MET 79 CO -0.00 0.82 -0.10 1.25 0.14 0.00 0.00 176.91 179.02 1nws h LEU 80 N 1.15 0.18 -1.55 3.39 5.85 0.06 -3.27 115.31 121.12 1nws h LEU 80 Ca 0.30 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1nws h LEU 80 Cb -0.01 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1nws h LEU 80 CO -0.05 0.71 0.00 0.78 -0.34 0.00 0.00 178.44 179.54 1nws h ASN 81 N -0.35 0.00 0.07 1.25 2.35 -0.47 -2.55 115.58 115.88 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 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 1nws h ASN 81 CO 0.02 0.00 -0.14 0.74 -1.65 0.00 0.00 177.43 176.40 1nws h THR 82 N 0.00 1.16 -0.12 2.81 2.02 -1.02 -1.54 112.91 116.22 1nws h THR 82 Ca 0.00 -0.72 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1nws h THR 82 Cb 0.37 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1nws h THR 82 CO 0.00 0.22 0.23 -0.07 0.37 0.00 0.00 175.52 176.27 1nws h LEU 83 N 0.15 0.00 -0.27 2.58 3.38 -1.60 0.36 115.31 119.91 1nws h LEU 83 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1nws h LEU 83 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 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 0.87 1.13 1.57 -1.47 -3.25 116.57 115.42 1nws h LYS 84 Ca 0.06 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 -0.49 -0.91 -0.57 0.00 0.00 179.45 177.48 1nws h ASN 85 N 0.00 -1.21 1.19 0.86 2.35 -1.07 -2.84 115.58 114.86 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 0.34 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1nws h ASN 85 CO 0.00 -0.78 0.00 0.03 -1.65 0.00 0.00 177.43 175.03 1nws h ARG 86 N -1.26 0.00 -3.02 0.81 3.08 -1.76 -3.38 114.38 108.85 1nws h ARG 86 Ca -0.12 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.33 1nws h ARG 86 Cb 0.99 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.64 1nws h ARG 86 CO 0.15 0.00 -0.76 1.21 -1.07 0.00 0.00 179.97 179.50 1nws s ASN 87 N -4.52 3.60 0.46 7.04 3.84 -1.08 -4.99 114.94 119.29 1nws s ASN 87 Ca 0.08 -2.37 0.15 0.00 0.21 0.00 0.00 52.86 50.93 1nws s ASN 87 Cb 0.11 -0.90 1.05 0.00 -0.55 0.00 0.00 41.25 40.96 1nws s ASN 87 CO 0.52 -0.30 2.01 -0.65 -2.79 0.00 0.00 177.10 175.89 1nws h PRO 88 N 7.02 0.00 0.00 0.43 0.11 -1.73 -2.94 132.00 134.89 1nws h PRO 88 Ca -0.02 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 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 0.44 0.16 -0.47 -0.91 -0.21 0.00 0.00 178.00 177.01 1nws h ASN 89 N 0.00 0.00 -2.17 -2.05 4.21 -1.94 -3.44 115.58 110.19 1nws h ASN 89 Ca -0.00 0.00 -0.59 0.00 1.21 0.00 0.00 56.30 56.92 1nws h ASN 89 Cb 0.29 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.52 1nws h ASN 89 CO 0.02 0.47 1.04 -0.11 -1.29 0.00 0.00 177.43 177.57 1nws n LEU 90 N -3.61 3.50 -4.87 1.61 7.94 -1.11 -4.94 117.00 115.53 1nws n LEU 90 Ca -0.00 0.99 -0.31 0.00 -1.11 0.00 0.00 56.01 55.58 1nws n LEU 90 Cb 0.56 -1.42 -0.05 0.00 0.53 0.00 0.00 43.42 43.04 1nws n LEU 90 CO 0.39 -0.06 -0.19 -0.75 -1.11 0.00 0.00 177.39 175.67 1nws s LYS 91 N 3.19 3.24 -0.02 1.96 2.47 -0.08 -4.90 119.74 125.60 1nws s LYS 91 Ca 0.88 -0.53 0.03 0.00 -1.56 0.00 0.00 55.97 54.79 1nws s LYS 91 Cb -0.64 -2.93 -0.00 0.00 -1.46 0.00 0.00 37.83 32.80 1nws s LYS 91 CO 0.46 0.59 -0.11 0.99 0.16 0.00 0.00 175.35 177.44 1nws s THR 92 N -1.47 0.88 0.08 3.43 2.01 -1.26 -1.75 115.64 117.56 1nws s THR 92 Ca 0.33 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.94 1nws s THR 92 Cb -0.13 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 1nws s THR 92 CO 0.26 0.26 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.57 1nws s LEU 93 N -0.00 2.33 -0.18 4.42 1.02 -0.68 0.08 118.68 125.67 1nws s LEU 93 Ca -0.00 -0.70 -0.05 0.00 0.02 0.00 0.00 54.13 53.40 1nws s LEU 93 Cb -0.07 -0.40 -0.03 0.00 0.02 0.00 0.00 46.19 45.70 1nws s LEU 93 CO 0.00 -0.16 0.01 -0.22 0.02 0.00 0.00 176.35 176.00 1nws s LEU 94 N -2.05 3.43 -0.26 1.79 2.96 -0.23 -0.90 118.68 123.42 1nws s LEU 94 Ca 0.01 -0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 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 0.01 0.13 0.23 -0.55 -1.32 0.00 0.00 176.35 174.85 1nws s SER 95 N 0.64 6.13 -0.12 3.68 0.15 0.74 -0.02 113.70 124.90 1nws s SER 95 Ca 0.00 0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.75 1nws s SER 95 Cb -0.14 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 1nws s SER 95 CO 0.02 -0.03 0.00 0.54 1.20 0.00 0.00 173.24 174.97 1nws s VAL 96 N 1.52 4.30 0.00 4.45 0.11 0.30 0.40 120.40 131.48 1nws s VAL 96 Ca 0.10 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1nws s VAL 96 Cb -0.15 -2.85 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 1nws s VAL 96 CO 0.08 0.55 0.00 0.61 -3.33 0.00 0.00 175.10 173.01 1nws n GLY 97 N 2.75 0.44 0.00 6.54 0.00 -1.13 -0.47 105.19 113.32 1nws n GLY 97 Ca -0.18 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 0.85 0.15 -0.02 0.00 0.08 -4.33 105.19 101.93 1nws n GLY 98 Ca 0.00 -2.04 -0.19 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 0.74 0.00 1.61 4.06 -1.87 -3.22 115.95 117.28 1nws h TRP 99 Ca 0.00 -0.42 0.00 0.00 2.06 0.00 0.00 58.89 60.53 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 1.25 0.00 0.09 -3.56 0.00 0.00 178.44 176.22 1nws n ASN 100 N -4.09 0.00 0.27 -3.49 3.02 -1.26 -3.86 115.26 105.85 1nws n ASN 100 Ca -0.11 -1.35 -0.11 0.00 -0.03 0.00 0.00 54.58 52.98 1nws n ASN 100 Cb 0.76 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.88 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 -0.20 0.81 0.40 2.40 0.00 -1.25 -4.80 105.19 102.56 1nws n GLY 102 Ca -0.09 -0.71 0.16 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 0.23 113.55 118.50 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 0.10 4.77 1.08 -1.93 0.51 115.11 119.18 1nws h GLN 104 Ca 0.19 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1nws h GLN 104 Cb 1.84 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.38 1nws h GLN 104 CO -0.00 -0.30 -0.05 0.00 -0.95 0.00 0.00 178.83 177.53 1nws h ARG 105 N -0.47 -0.13 -0.87 1.46 3.08 -0.85 -2.61 114.38 114.00 1nws h ARG 105 Ca -0.05 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.20 1nws h ARG 105 Cb 0.36 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 1nws h ARG 105 CO 0.08 0.10 0.58 0.35 -1.07 0.00 0.00 179.97 180.00 1nws h PHE 106 N -0.34 0.53 0.46 3.04 3.04 -1.43 -1.23 116.94 121.00 1nws h PHE 106 Ca -0.01 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1nws h PHE 106 Cb 0.28 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1nws h PHE 106 CO -0.00 0.16 -0.22 1.03 -2.02 0.00 0.00 178.31 177.25 1nws h SER 107 N 0.41 -0.52 -0.08 0.41 0.87 -0.60 -2.01 113.55 112.04 1nws h SER 107 Ca 0.45 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.98 1nws h SER 107 Cb 1.09 0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 63.12 1nws h SER 107 CO -0.16 -0.23 -0.31 0.11 -0.53 0.00 0.00 176.83 175.70 1nws h LYS 108 N -0.80 -0.40 -0.45 2.24 1.57 -0.92 0.59 116.57 118.39 1nws h LYS 108 Ca -0.06 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1nws h LYS 108 Cb 0.55 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.87 1nws h LYS 108 CO 0.10 -0.27 -0.14 0.82 -0.57 0.00 0.00 179.45 179.39 1nws h ILE 109 N -0.42 0.49 -0.07 1.86 2.04 -1.29 0.24 117.51 120.37 1nws h ILE 109 Ca 0.08 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.78 1nws h ILE 109 Cb 0.54 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1nws h ILE 109 CO -0.31 0.00 -0.66 0.00 0.00 0.00 0.00 178.15 177.18 1nws h ALA 110 N 1.36 0.76 -0.09 1.87 0.00 -0.90 -2.32 119.26 119.93 1nws h ALA 110 Ca 0.22 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1nws h ALA 110 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1nws h ALA 110 CO -0.48 0.76 -0.05 1.03 0.00 0.00 0.00 179.25 180.51 1nws h SER 111 N 0.20 0.20 -2.99 0.00 0.87 0.97 -3.44 113.55 109.36 1nws h SER 111 Ca -0.01 -0.41 -0.54 0.00 -1.23 0.00 0.00 61.79 59.60 1nws h SER 111 Cb 1.19 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1nws h SER 111 CO 0.10 0.57 0.75 0.21 -0.53 0.00 0.00 176.83 177.93 1nws s ASN 112 N -5.84 6.87 0.29 6.23 3.84 0.77 -4.95 114.94 122.15 1nws s ASN 112 Ca -0.15 2.20 -0.01 0.00 0.21 0.00 0.00 52.86 55.12 1nws s ASN 112 Cb 0.04 -2.58 0.43 0.00 -0.55 0.00 0.00 41.25 38.60 1nws s ASN 112 CO 0.71 -0.65 1.86 0.74 -2.79 0.00 0.00 177.10 176.97 1nws h THR 113 N 4.55 1.22 0.01 -5.21 2.02 -1.85 -1.08 112.91 112.58 1nws h THR 113 Ca -0.40 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1nws h THR 113 Cb 1.20 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1nws h THR 113 CO 0.87 0.27 -0.01 1.56 0.37 0.00 0.00 175.52 178.59 1nws h GLN 114 N 0.84 -0.02 -0.57 6.66 7.50 -1.92 -2.69 115.11 124.91 1nws h GLN 114 Ca 0.20 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.45 1nws h GLN 114 Cb 0.20 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 27.66 1nws h GLN 114 CO -0.01 0.65 0.16 0.77 -1.50 0.00 0.00 178.83 178.89 1nws h SER 115 N -0.72 0.08 -0.29 1.46 0.02 -1.78 0.28 113.55 112.61 1nws h SER 115 Ca -0.00 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1nws h SER 115 Cb 0.68 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 1nws h SER 115 CO 0.00 0.06 0.10 -0.09 -1.14 0.00 0.00 176.83 175.76 1nws h ARG 116 N 0.30 0.22 0.13 3.45 2.43 -0.60 -1.22 114.38 119.09 1nws h ARG 116 Ca 0.29 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1nws h ARG 116 Cb 0.40 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1nws h ARG 116 CO -0.35 0.14 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.11 1nws h ARG 117 N 0.22 -0.17 -0.02 0.20 9.65 -0.94 -0.63 114.38 122.70 1nws h ARG 117 Ca 0.13 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.05 1nws h ARG 117 Cb 0.10 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.66 1nws h ARG 117 CO -0.14 -0.09 -0.40 1.15 2.80 0.00 0.00 179.97 183.29 1nws h THR 118 N -0.19 0.18 -0.11 0.20 2.02 -0.78 0.40 112.91 114.62 1nws h THR 118 Ca -0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1nws h THR 118 Cb 0.15 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 66.69 1nws h THR 118 CO 0.03 0.00 -0.17 0.15 0.37 0.00 0.00 175.52 175.90 1nws h PHE 119 N -0.54 -0.43 -0.59 3.16 3.57 0.13 -0.63 116.94 121.61 1nws h PHE 119 Ca 0.05 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1nws h PHE 119 Cb 0.63 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 1nws h PHE 119 CO -0.41 -0.24 0.31 0.82 -2.23 0.00 0.00 178.31 176.56 1nws h ILE 120 N -0.22 0.95 0.00 1.41 2.04 -0.76 -1.88 117.51 119.06 1nws h ILE 120 Ca 0.09 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1nws h ILE 120 Cb 0.35 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1nws h ILE 120 CO -0.24 0.11 -0.25 0.50 0.00 0.00 0.00 178.15 178.27 1nws h LYS 121 N 0.58 0.00 0.00 2.37 3.64 -0.45 -2.71 116.57 120.00 1nws h LYS 121 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1nws h LYS 121 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1nws h LYS 121 CO -0.18 0.25 -0.02 -1.13 -2.27 0.00 0.00 179.45 176.10 1nws n SER 122 N -3.97 0.82 0.16 4.20 3.41 -0.28 -4.30 113.62 113.65 1nws n SER 122 Ca -0.02 0.56 -0.11 0.00 -0.26 0.00 0.00 58.87 59.04 1nws n SER 122 Cb 0.32 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.45 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 -0.65 -3.33 2.07 -1.17 -3.08 116.25 110.49 1nws h VAL 123 Ca 0.00 -0.72 0.13 0.00 0.82 0.00 0.00 66.70 66.94 1nws h VAL 123 Cb 0.74 0.64 -0.10 0.00 -1.52 0.00 0.00 31.29 31.05 1nws h VAL 123 CO 0.00 0.09 0.08 -0.65 0.02 0.00 0.00 177.57 177.11 1nws h PRO 124 N -0.99 0.19 0.61 1.57 0.11 -1.75 -0.19 132.00 131.55 1nws h PRO 124 Ca -0.05 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1nws h PRO 124 Cb 0.51 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1nws h PRO 124 CO 0.08 0.12 -0.45 -1.35 -0.21 0.00 0.00 178.00 176.19 1nws h PRO 125 N 0.19 -0.98 -0.93 1.05 0.11 -1.78 -1.65 132.00 128.00 1nws h PRO 125 Ca 0.35 0.07 0.25 0.00 0.11 0.00 0.00 66.00 66.78 1nws h PRO 125 Cb 0.56 0.22 -0.13 0.00 0.11 0.00 0.00 31.00 31.76 1nws h PRO 125 CO -0.49 -0.66 0.43 0.35 -0.21 0.00 0.00 178.00 177.42 1nws h PHE 126 N -1.02 0.70 -0.09 0.65 3.04 -1.36 0.24 116.94 119.10 1nws h PHE 126 Ca -0.08 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 1nws h PHE 126 Cb 0.84 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.19 1nws h PHE 126 CO -0.15 -0.10 -0.02 -0.07 -2.02 0.00 0.00 178.31 175.94 1nws h LEU 127 N 0.36 0.18 -0.77 0.59 3.38 -0.73 -2.06 115.31 116.26 1nws h LEU 127 Ca 0.61 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1nws h LEU 127 Cb 1.25 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1nws h LEU 127 CO -0.57 0.51 0.12 0.03 0.09 0.00 0.00 178.44 178.62 1nws h ARG 128 N -0.15 1.05 -0.85 1.13 2.47 -0.48 0.12 114.38 117.67 1nws h ARG 128 Ca 0.02 -0.26 0.03 0.00 -1.26 0.00 0.00 59.98 58.51 1nws h ARG 128 Cb 0.43 -0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 28.57 1nws h ARG 128 CO 0.01 0.95 0.56 1.15 0.56 0.00 0.00 179.97 183.20 1nws h THR 129 N 0.99 1.16 -0.44 2.04 2.02 -0.48 -3.00 112.91 115.19 1nws h THR 129 Ca 0.20 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1nws h THR 129 Cb 0.40 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1nws h THR 129 CO 0.01 0.20 0.00 1.41 0.37 0.00 0.00 175.52 177.51 1nws n HIS 130 N -4.43 0.59 -1.62 3.16 8.25 -0.78 -4.99 115.22 115.39 1nws n HIS 130 Ca 0.11 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 1nws n HIS 130 Cb 0.08 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 1.14 0.56 3.90 -1.41 0.00 -0.54 -4.70 105.19 104.14 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 -0.89 1.61 0.08 -0.08 -4.90 117.98 115.28 1nws s PHE 132 Ca 0.00 0.51 0.24 0.00 0.12 0.00 0.00 56.93 57.79 1nws s PHE 132 Cb 0.00 -1.97 0.21 0.00 -0.57 0.00 0.00 43.02 40.69 1nws s PHE 132 CO 0.00 0.43 1.19 -0.25 -0.10 0.00 0.00 175.22 176.49 1nws n ASP 133 N -0.04 0.65 0.00 1.36 8.00 0.11 -4.51 116.55 122.13 1nws n ASP 133 Ca -0.03 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.08 1nws n ASP 133 Cb 0.52 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 1nws n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nws n GLY 134 N 1.46 -0.71 3.59 0.44 0.00 -0.99 -0.65 105.19 108.32 1nws n GLY 134 Ca 0.04 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1nws n GLY 134 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nws s LEU 135 N 0.00 3.09 -0.13 0.99 2.96 0.11 -1.07 118.68 124.63 1nws s LEU 135 Ca 0.00 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1nws s LEU 135 Cb 0.00 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.86 1nws s LEU 135 CO 0.00 0.20 -0.11 -0.62 -1.32 0.00 0.00 176.35 174.50 1nws s ASP 136 N -2.04 2.47 -0.30 3.68 2.15 0.98 -1.37 116.67 122.23 1nws s ASP 136 Ca 0.21 -0.41 -0.26 0.00 0.43 0.00 0.00 52.55 52.51 1nws s ASP 136 Cb -0.11 -1.03 0.01 0.00 -0.30 0.00 0.00 42.92 41.49 1nws s ASP 136 CO 0.13 -0.09 0.93 -0.76 -0.17 0.00 0.00 175.17 175.21 1nws s LEU 137 N 1.59 4.02 -0.54 -1.34 1.43 0.47 -0.54 118.68 123.78 1nws s LEU 137 Ca 0.05 0.91 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 1nws s LEU 137 Cb -0.13 -3.32 0.36 0.00 0.03 0.00 0.00 46.19 43.13 1nws s LEU 137 CO -0.10 -0.73 0.97 0.00 0.23 0.00 0.00 176.35 176.72 1nws n ALA 138 N 6.49 4.60 -2.55 4.21 0.00 0.38 -1.23 120.51 132.42 1nws n ALA 138 Ca 0.08 -4.54 -0.42 0.00 0.00 0.00 0.00 53.44 48.56 1nws n ALA 138 Cb 0.47 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.75 118.94 115.44 1nws s TRP 139 Ca 0.48 0.43 0.03 0.00 1.22 0.00 0.00 56.10 58.27 1nws s TRP 139 Cb 0.31 -4.49 0.13 0.00 -1.50 0.00 0.00 33.47 27.91 1nws s TRP 139 CO -0.14 -1.65 0.25 -0.51 -4.62 0.00 0.00 176.95 170.27 1nws s LEU 140 N 5.13 4.50 0.09 5.86 1.43 -1.26 -3.95 118.68 130.48 1nws s LEU 140 Ca 0.45 -2.86 -0.01 0.00 -1.03 0.00 0.00 54.13 50.68 1nws s LEU 140 Cb -0.08 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1nws s LEU 140 CO 0.26 -0.27 0.01 -0.31 0.23 0.00 0.00 176.35 176.26 1nws s TYR 141 N -0.08 0.69 1.03 0.29 1.51 -1.26 -4.63 117.35 114.91 1nws s TYR 141 Ca 0.16 -1.15 -0.12 0.00 -1.01 0.00 0.00 57.07 54.95 1nws s TYR 141 Cb -0.24 -0.43 0.21 0.00 -0.11 0.00 0.00 41.96 41.38 1nws s TYR 141 CO -0.02 -0.45 1.08 -2.14 -1.11 0.00 0.00 175.55 172.91 1nws s PRO 142 N -3.98 0.11 0.57 -1.71 0.02 -1.25 -4.83 135.00 123.92 1nws s PRO 142 Ca 0.15 1.00 0.05 0.00 0.02 0.00 0.00 61.00 62.22 1nws s PRO 142 Cb 0.08 -1.66 0.05 0.00 0.02 0.00 0.00 34.50 32.99 1nws s PRO 142 CO -0.04 -3.08 0.43 0.20 -0.33 0.00 0.00 177.00 174.18 1nws s GLY 143 N -2.81 2.39 0.44 0.52 0.00 -1.26 -4.78 107.32 101.83 1nws s GLY 143 Ca 0.67 -1.15 0.10 0.00 0.00 0.00 0.00 44.72 44.34 1nws s GLY 143 CO 0.61 -1.96 2.09 3.21 0.00 0.00 0.00 173.10 177.04 1nws h ARG 144 N 0.67 0.38 0.00 2.90 3.08 -1.96 -1.50 114.38 117.95 1nws h ARG 144 Ca -0.36 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1nws h ARG 144 Cb 1.31 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1nws h ARG 144 CO 0.56 0.25 0.00 2.89 -1.07 0.00 0.00 179.97 182.60 1nws n ARG 145 N -4.49 0.14 0.00 0.04 0.00 -1.26 -3.28 116.66 107.81 1nws n ARG 145 Ca 0.01 0.11 0.06 0.00 -0.00 0.00 0.00 57.85 58.03 1nws n ARG 145 Cb 0.07 -1.50 0.02 0.00 -0.00 0.00 0.00 32.46 31.05 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 -1.40 1.59 -0.33 2.89 8.00 -0.57 -4.71 116.55 122.02 1nws n ASP 146 Ca 0.08 -1.29 0.19 0.00 0.71 0.00 0.00 54.79 54.47 1nws n ASP 146 Cb 0.21 0.26 0.37 0.00 -0.02 0.00 0.00 41.12 41.95 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 1.70 0.05 0.19 -1.24 3.64 -1.53 0.17 116.57 119.54 1nws h LYS 147 Ca 0.00 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.11 1nws h LYS 147 Cb 0.43 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1nws h LYS 147 CO 0.00 0.03 -1.20 1.96 -2.27 0.00 0.00 179.45 177.98 1nws h GLN 148 N 0.05 0.39 -0.80 1.90 7.50 -1.87 -3.07 115.11 119.22 1nws h GLN 148 Ca 0.66 -0.67 0.10 0.00 0.50 0.00 0.00 58.65 59.23 1nws h GLN 148 Cb 1.48 0.25 -0.07 0.00 0.05 0.00 0.00 27.48 29.19 1nws h GLN 148 CO -0.82 1.32 0.44 0.45 -1.50 0.00 0.00 178.83 178.72 1nws h HIS 149 N -0.14 0.80 -0.80 2.96 3.86 -1.45 0.20 115.15 120.59 1nws h HIS 149 Ca -0.22 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1nws h HIS 149 Cb 1.89 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 30.08 1nws h HIS 149 CO 0.16 0.32 0.51 0.35 0.86 0.00 0.00 177.93 180.13 1nws h PHE 150 N 0.74 1.01 0.35 2.45 3.57 -0.83 0.88 116.94 125.12 1nws h PHE 150 Ca 0.39 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 1nws h PHE 150 Cb 0.37 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1nws h PHE 150 CO -0.07 0.65 -0.17 1.15 -2.23 0.00 0.00 178.31 177.64 1nws h THR 151 N 1.08 0.63 -0.41 4.41 2.02 -0.74 -2.52 112.91 117.38 1nws h THR 151 Ca 0.29 -0.51 0.09 0.00 0.77 0.00 0.00 66.41 67.05 1nws h THR 151 Cb -0.10 0.88 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 1nws h THR 151 CO -0.06 0.09 -0.23 0.74 0.37 0.00 0.00 175.52 176.43 1nws h THR 152 N -0.77 0.36 -0.01 3.16 2.02 -0.32 -0.31 112.91 117.03 1nws h THR 152 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1nws h THR 152 Cb 0.51 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 1nws h THR 152 CO 0.08 0.00 -0.43 0.25 0.37 0.00 0.00 175.52 175.79 1nws h LEU 153 N -0.16 -1.31 -0.68 2.58 5.85 -0.83 0.15 115.31 120.91 1nws h LEU 153 Ca 0.19 0.16 0.06 0.00 0.84 0.00 0.00 57.88 59.14 1nws h LEU 153 Cb 0.47 0.51 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1nws h LEU 153 CO -0.50 -0.46 0.37 0.40 -0.34 0.00 0.00 178.44 177.91 1nws h ILE 154 N -0.58 0.95 0.38 4.05 2.04 -1.03 0.83 117.51 124.15 1nws h ILE 154 Ca 0.05 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1nws h ILE 154 Cb 0.66 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1nws h ILE 154 CO -0.33 0.12 -0.19 0.50 0.00 0.00 0.00 178.15 178.26 1nws h LYS 155 N 0.68 -0.50 -0.36 2.37 3.64 -0.35 -2.22 116.57 119.82 1nws h LYS 155 Ca 0.31 0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.62 1nws h LYS 155 Cb 0.21 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1nws h LYS 155 CO -0.20 -0.34 -0.21 0.93 -2.27 0.00 0.00 179.45 177.37 1nws h GLU 156 N -0.52 0.70 -0.87 1.90 5.08 -0.55 -2.25 114.58 118.07 1nws h GLU 156 Ca -0.05 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1nws h GLU 156 Cb 0.41 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1nws h GLU 156 CO 0.07 0.85 0.45 1.98 -1.00 0.00 0.00 179.01 181.37 1nws h MET 157 N 0.62 1.23 -0.35 2.33 4.05 -0.78 -1.32 114.93 120.70 1nws h MET 157 Ca 0.09 -0.16 -0.09 0.00 -0.28 0.00 0.00 59.70 59.26 1nws h MET 157 Cb 0.69 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 1nws h MET 157 CO 0.05 0.92 -0.12 -0.22 0.23 0.00 0.00 176.91 177.77 1nws h LYS 158 N 1.22 0.70 -0.31 0.39 1.63 -1.25 -2.27 116.57 116.68 1nws h LYS 158 Ca 0.30 -0.28 0.07 0.00 -0.85 0.00 0.00 60.65 59.89 1nws h LYS 158 Cb 0.07 -0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.59 1nws h LYS 158 CO -0.04 0.88 -0.32 0.00 -3.45 0.00 0.00 179.45 176.52 1nws h ALA 159 N 0.80 -0.23 -0.20 5.00 0.00 -0.79 -0.57 119.26 123.28 1nws h ALA 159 Ca 0.08 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1nws h ALA 159 Cb 0.64 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1nws h ALA 159 CO 0.04 -0.74 -0.13 1.49 0.00 0.00 0.00 179.25 179.91 1nws h GLU 160 N -0.29 -0.12 -0.81 0.00 4.57 -1.17 0.43 114.58 117.20 1nws h GLU 160 Ca 0.15 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.44 1nws h GLU 160 Cb 0.53 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.07 1nws h GLU 160 CO -0.47 -0.08 0.44 0.74 -1.18 0.00 0.00 179.01 178.46 1nws h PHE 161 N -0.12 0.80 -0.32 0.92 -1.00 -0.73 0.13 116.94 116.62 1nws h PHE 161 Ca 0.12 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.90 1nws h PHE 161 Cb 0.30 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1nws h PHE 161 CO -0.29 0.30 0.10 0.82 -1.61 0.00 0.00 178.31 177.63 1nws h ILE 162 N 0.73 1.21 0.39 -0.55 2.04 -0.34 -2.53 117.51 118.46 1nws h ILE 162 Ca 0.40 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1nws h ILE 162 Cb 0.41 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1nws h ILE 162 CO -0.27 0.23 -0.29 0.50 0.00 0.00 0.00 178.15 178.32 1nws h LYS 163 N 0.36 -0.63 -1.54 2.37 3.64 0.11 0.13 116.57 121.01 1nws h LYS 163 Ca 0.10 0.04 0.45 0.00 -1.27 0.00 0.00 60.65 59.97 1nws h LYS 163 Cb 0.25 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 1nws h LYS 163 CO -0.00 -0.42 1.11 1.49 -2.27 0.00 0.00 179.45 179.36 1nws h GLU 164 N -0.66 0.00 -0.00 1.90 4.22 -0.77 0.55 114.58 119.82 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 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1nws h GLU 164 CO 0.02 0.00 -0.89 0.00 -2.18 0.00 0.00 179.01 175.96 1nws n ALA 165 N -2.83 4.47 -0.36 2.92 0.00 -0.96 -4.59 120.51 119.17 1nws n ALA 165 Ca 0.34 -0.54 0.07 0.00 0.00 0.00 0.00 53.44 53.31 1nws n ALA 165 Cb 1.60 -0.69 0.15 0.00 0.00 0.00 0.00 19.45 20.51 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 -0.09 -0.17 0.00 0.00 0.19 0.47 117.38 116.34 1nws n GLN 166 Ca 0.04 1.54 0.27 0.00 0.00 0.00 0.00 57.00 58.85 1nws n GLN 166 Cb 0.30 -2.32 0.70 0.00 0.00 0.00 0.00 30.24 28.92 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 0.04 0.00 2.61 0.13 -1.81 -3.44 132.00 129.53 1nws h PRO 167 Ca 0.49 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.61 1nws h PRO 167 Cb 0.76 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1nws h PRO 167 CO -1.02 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 177.19 1nws n GLY 168 N -1.69 -0.16 3.95 1.56 0.00 0.18 -5.17 105.19 103.86 1nws n GLY 168 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 1.66 -0.45 1.61 1.02 -0.79 -5.00 119.74 117.78 1nws s LYS 169 Ca 0.00 -0.57 -0.29 0.00 0.02 0.00 0.00 55.97 55.13 1nws s LYS 169 Cb 0.00 -2.15 0.03 0.00 -0.52 0.00 0.00 37.83 35.19 1nws s LYS 169 CO 0.00 -1.58 1.13 0.21 -0.92 0.00 0.00 175.35 174.19 1nws s LYS 170 N -5.36 3.77 0.22 1.68 2.20 -1.26 -4.87 119.74 116.12 1nws s LYS 170 Ca 0.65 0.64 -0.32 0.00 -0.36 0.00 0.00 55.97 56.59 1nws s LYS 170 Cb -0.07 -3.88 -0.14 0.00 -1.51 0.00 0.00 37.83 32.22 1nws s LYS 170 CO 0.46 -1.31 1.36 0.94 -0.36 0.00 0.00 175.35 176.44 1nws n GLN 171 N 7.70 1.84 -2.09 4.03 7.27 -1.26 -4.93 117.38 129.95 1nws n GLN 171 Ca 0.12 0.65 -0.40 0.00 0.07 0.00 0.00 57.00 57.44 1nws n GLN 171 Cb 0.49 -2.28 -0.01 0.00 2.41 0.00 0.00 30.24 30.84 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 0.24 4.34 0.32 1.69 1.43 -1.26 -4.97 118.68 120.47 1nws s LEU 172 Ca 0.70 2.68 -0.22 0.00 -1.03 0.00 0.00 54.13 56.25 1nws s LEU 172 Cb -0.70 -3.76 -0.10 0.00 0.03 0.00 0.00 46.19 41.67 1nws s LEU 172 CO 0.50 -0.67 0.86 -0.76 0.23 0.00 0.00 176.35 176.51 1nws s LEU 173 N -2.06 4.21 -0.13 1.79 1.43 0.17 -4.91 118.68 119.18 1nws s LEU 173 Ca 0.52 1.62 -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 41.84 1nws s LEU 173 CO 0.51 -0.12 -0.05 -0.22 0.23 0.00 0.00 176.35 176.70 1nws s LEU 174 N -2.41 1.27 0.33 1.79 2.96 -1.26 0.10 118.68 121.47 1nws s LEU 174 Ca 0.51 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1nws s LEU 174 Cb -0.15 -0.80 -0.05 0.00 0.50 0.00 0.00 46.19 45.70 1nws s LEU 174 CO 0.20 -0.17 0.09 -0.94 -1.32 0.00 0.00 176.35 174.21 1nws s SER 175 N 1.73 2.15 -0.12 3.68 1.04 -0.47 -0.69 113.70 121.02 1nws s SER 175 Ca 0.03 -1.47 -0.13 0.00 0.48 0.00 0.00 55.95 54.85 1nws s SER 175 Cb -0.14 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.18 1nws s SER 175 CO -0.08 -0.75 0.36 0.00 0.98 0.00 0.00 173.24 173.76 1nws s ALA 176 N -3.40 -0.90 -0.25 5.32 0.00 -1.18 -0.39 121.76 120.96 1nws s ALA 176 Ca 0.33 0.92 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 1nws s ALA 176 Cb 0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1nws s ALA 176 CO 0.15 -0.19 0.39 0.00 0.00 0.00 0.00 175.76 176.11 1nws s ALA 177 N -0.08 3.57 0.08 0.00 0.00 -0.36 -1.01 121.76 123.96 1nws s ALA 177 Ca -0.02 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.29 1nws s ALA 177 Cb -0.03 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1nws s ALA 177 CO 0.01 -0.58 -0.17 -0.51 0.00 0.00 0.00 175.76 174.52 1nws s LEU 178 N 1.90 2.71 0.48 0.00 1.43 0.82 -4.66 118.68 121.37 1nws s LEU 178 Ca 0.17 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 1nws s LEU 178 Cb -0.15 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 1nws s LEU 178 CO 0.09 0.21 1.30 -0.55 0.23 0.00 0.00 176.35 177.64 1nws s SER 179 N -1.85 5.79 0.00 2.29 0.15 -1.26 -0.54 113.70 118.28 1nws s SER 179 Ca 0.17 2.64 0.24 0.00 0.70 0.00 0.00 55.95 59.70 1nws s SER 179 Cb -0.11 -2.63 0.20 0.00 -1.71 0.00 0.00 66.02 61.77 1nws s SER 179 CO 0.08 -1.21 1.26 0.00 1.20 0.00 0.00 173.24 174.58 1nws n ALA 180 N -0.55 2.54 -2.69 5.45 0.00 -1.25 -4.68 120.51 119.33 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 0.45 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.03 2.64 0.19 0.00 0.00 -1.26 -4.73 107.32 102.12 1nws s GLY 181 Ca 0.28 0.48 -0.12 0.00 0.00 0.00 0.00 44.72 45.35 1nws s GLY 181 CO 0.32 1.81 1.71 1.70 0.00 0.00 0.00 173.10 178.64 1nws h LYS 182 N 6.95 0.22 -0.15 2.90 3.64 -1.91 -0.79 116.57 127.42 1nws h LYS 182 Ca -0.36 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.05 1nws h LYS 182 Cb 1.19 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.89 1nws h LYS 182 CO 0.80 0.15 -0.31 0.28 -2.27 0.00 0.00 179.45 178.10 1nws h VAL 183 N 0.23 0.30 -0.46 2.00 2.07 -1.99 -0.70 116.25 117.69 1nws h VAL 183 Ca 0.26 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 1nws h VAL 183 Cb 0.36 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1nws h VAL 183 CO -0.35 0.00 0.21 0.74 0.02 0.00 0.00 177.57 178.20 1nws h THR 184 N -0.37 1.19 -0.93 2.57 2.02 -1.85 -2.09 112.91 113.45 1nws h THR 184 Ca 0.10 -0.55 0.08 0.00 0.77 0.00 0.00 66.41 66.81 1nws h THR 184 Cb 0.54 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 1nws h THR 184 CO -0.36 0.21 0.58 0.40 0.37 0.00 0.00 175.52 176.72 1nws h ILE 185 N 0.61 1.02 -0.37 3.11 2.04 -0.71 0.26 117.51 123.46 1nws h ILE 185 Ca 0.16 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 1nws h ILE 185 Cb 0.14 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1nws h ILE 185 CO -0.02 0.19 -0.08 0.44 0.00 0.00 0.00 178.15 178.68 1nws h ASP 186 N 1.02 0.71 0.45 1.72 3.32 -0.82 -2.69 116.42 120.13 1nws h ASP 186 Ca 0.42 -0.36 -0.31 0.00 0.02 0.00 0.00 57.03 56.81 1nws h ASP 186 Cb 0.25 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 39.63 1nws h ASP 186 CO -0.20 0.90 -1.38 0.77 -1.72 0.00 0.00 179.24 177.61 1nws h SER 187 N 0.50 0.62 0.00 6.45 4.64 -0.87 -3.41 113.55 121.49 1nws h SER 187 Ca 0.10 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1nws h SER 187 Cb 0.58 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1nws h SER 187 CO 0.03 1.53 -1.60 -1.20 -0.87 0.00 0.00 176.83 174.72 1nws n SER 188 N -3.61 1.39 -4.47 4.97 7.64 0.86 -4.12 113.62 116.28 1nws n SER 188 Ca -0.13 -0.09 -0.32 0.00 1.01 0.00 0.00 58.87 59.34 1nws n SER 188 Cb 1.06 1.63 -0.13 0.00 -1.01 0.00 0.00 64.21 65.77 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 -3.00 2.66 -0.79 1.43 2.02 -1.01 -4.21 117.35 114.45 1nws s TYR 189 Ca -0.04 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 1nws s TYR 189 Cb 0.10 -1.57 0.28 0.00 -0.40 0.00 0.00 41.96 40.37 1nws s TYR 189 CO 0.64 0.21 1.07 -3.47 -1.57 0.00 0.00 175.55 172.43 1nws n ASP 190 N 2.01 4.91 -0.30 2.29 -0.08 -1.26 -4.75 116.55 119.37 1nws n ASP 190 Ca -0.17 -3.49 -0.00 0.00 -1.51 0.00 0.00 54.79 49.62 1nws n ASP 190 Cb 0.52 -0.86 0.04 0.00 2.34 0.00 0.00 41.12 43.16 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 0.75 -0.40 0.03 5.18 2.08 -1.26 -1.65 119.36 124.09 1nws n ILE 191 Ca 0.30 1.83 -0.11 0.00 0.56 0.00 0.00 62.75 65.33 1nws n ILE 191 Cb 0.37 -2.43 -0.04 0.00 -0.75 0.00 0.00 39.64 36.79 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 1.15 -0.39 0.83 -1.39 0.00 -1.81 -0.95 119.26 116.70 1nws h ALA 192 Ca 0.29 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1nws h ALA 192 Cb 0.48 0.57 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1nws h ALA 192 CO -0.78 -0.80 -0.40 -0.22 0.00 0.00 0.00 179.25 177.05 1nws h LYS 193 N -0.42 -1.08 0.00 0.00 1.63 -1.66 -3.19 116.57 111.86 1nws h LYS 193 Ca 0.08 0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 1nws h LYS 193 Cb 0.54 0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1nws h LYS 193 CO -0.31 -0.72 -0.16 -0.84 -3.45 0.00 0.00 179.45 173.97 1nws h ILE 194 N -1.12 0.83 0.00 2.00 3.07 -1.44 -2.61 117.51 118.23 1nws h ILE 194 Ca -0.11 -0.62 -0.00 0.00 1.55 0.00 0.00 64.86 65.67 1nws h ILE 194 Cb 0.86 1.37 -0.00 0.00 -0.27 0.00 0.00 36.82 38.77 1nws h ILE 194 CO 0.19 0.16 -0.01 0.28 -1.05 0.00 0.00 178.15 177.71 1nws h SER 195 N 0.00 0.00 0.07 2.16 0.02 -1.15 -1.87 113.55 112.78 1nws h SER 195 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1nws h SER 195 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1nws h SER 195 CO 0.02 0.01 -0.03 1.56 -1.14 0.00 0.00 176.83 177.25 1nws h GLN 196 N 0.00 -0.09 -0.03 3.45 4.20 -1.55 -3.35 115.11 117.74 1nws h GLN 196 Ca -0.00 0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1nws h GLN 196 Cb 0.05 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1nws h GLN 196 CO 0.00 0.39 -0.72 0.45 -0.67 0.00 0.00 178.83 178.28 1nws h HIS 197 N -0.63 0.24 -4.03 2.96 3.86 -1.58 -3.45 115.15 112.52 1nws h HIS 197 Ca -0.01 -0.11 -0.48 0.00 -1.16 0.00 0.00 60.37 58.62 1nws h HIS 197 Cb 0.53 -0.04 0.02 0.00 1.06 0.00 0.00 27.41 28.98 1nws h HIS 197 CO 0.09 0.83 0.40 -0.51 0.86 0.00 0.00 177.93 179.61 1nws s LEU 198 N -7.64 3.97 0.11 2.43 1.43 -0.74 -4.90 118.68 113.33 1nws s LEU 198 Ca -0.03 1.99 0.13 0.00 -1.03 0.00 0.00 54.13 55.19 1nws s LEU 198 Cb 0.11 -4.40 -0.12 0.00 0.03 0.00 0.00 46.19 41.81 1nws s LEU 198 CO 0.80 -0.67 1.06 0.44 0.23 0.00 0.00 176.35 178.21 1nws h ASP 199 N 1.95 0.00 -4.24 2.29 3.32 -1.23 -3.48 116.42 115.04 1nws h ASP 199 Ca -0.49 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.64 1nws h ASP 199 Cb 1.22 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.55 1nws h ASP 199 CO 0.60 0.74 0.53 0.72 -1.72 0.00 0.00 179.24 180.11 1nws s PHE 200 N -2.82 -0.37 -0.07 4.55 -0.12 -1.25 -4.77 117.98 113.13 1nws s PHE 200 Ca -0.01 0.58 0.05 0.00 -0.05 0.00 0.00 56.93 57.50 1nws s PHE 200 Cb 0.09 0.46 -0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1nws s PHE 200 CO 0.80 -0.38 -0.23 0.42 -0.05 0.00 0.00 175.22 175.78 1nws s ILE 201 N -1.43 1.95 -0.38 -4.49 1.01 0.62 -3.08 121.20 115.41 1nws s ILE 201 Ca -0.01 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 1nws s ILE 201 Cb -0.01 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.81 1nws s ILE 201 CO 0.00 0.54 0.22 -0.44 0.00 0.00 0.00 174.94 175.26 1nws s SER 202 N 0.11 5.78 -0.41 3.58 0.01 -0.18 0.71 113.70 123.30 1nws s SER 202 Ca -0.11 -0.96 -0.23 0.00 1.31 0.00 0.00 55.95 55.96 1nws s SER 202 Cb -0.15 -2.04 0.02 0.00 0.21 0.00 0.00 66.02 64.05 1nws s SER 202 CO 0.06 -0.39 0.78 -0.51 0.41 0.00 0.00 173.24 173.59 1nws s ILE 203 N 1.57 4.69 -0.77 1.44 2.07 -0.08 -0.12 121.20 130.01 1nws s ILE 203 Ca 0.02 0.65 -0.22 0.00 -1.41 0.00 0.00 60.65 59.70 1nws s ILE 203 Cb -0.19 -4.26 -0.16 0.00 0.13 0.00 0.00 42.46 37.98 1nws s ILE 203 CO 0.07 -0.57 1.92 0.23 -1.91 0.00 0.00 174.94 174.68 1nws n MET 204 N 6.56 1.48 -1.78 3.50 2.81 0.30 -1.41 117.12 128.58 1nws n MET 204 Ca 0.03 -1.85 -0.42 0.00 -1.81 0.00 0.00 57.70 53.64 1nws n MET 204 Cb 0.48 -2.94 -0.00 0.00 -0.71 0.00 0.00 33.22 30.05 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 6.07 3.43 -3.74 2.03 -2.24 -1.26 -3.78 114.28 114.79 1nws n THR 205 Ca 0.49 -3.04 -0.04 0.00 -2.27 0.00 0.00 64.05 59.19 1nws n THR 205 Cb 0.41 -2.58 0.02 0.00 -2.10 0.00 0.00 70.33 66.08 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 6.34 -1.43 -2.83 4.78 0.18 -1.26 -4.78 117.16 118.16 1nws n TYR 206 Ca 0.52 -1.11 -0.20 0.00 1.88 0.00 0.00 57.90 58.99 1nws n TYR 206 Cb 0.40 0.55 0.03 0.00 -0.38 0.00 0.00 39.34 39.93 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 -1.21 -5.59 0.08 9.48 8.00 -0.67 -4.91 116.55 121.72 1nws n ASP 207 Ca -0.03 -0.21 -0.02 0.00 0.71 0.00 0.00 54.79 55.23 1nws n ASP 207 Cb 0.45 -4.46 -0.06 0.00 -0.02 0.00 0.00 41.12 37.03 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 -1.03 0.00 -3.71 1.24 0.04 -1.42 -3.46 116.94 108.60 1nws h PHE 208 Ca -0.47 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 59.89 1nws h PHE 208 Cb 1.33 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 39.28 1nws h PHE 208 CO 0.47 0.74 -0.76 -1.58 -0.60 0.00 0.00 178.31 176.58 1nws s HIS 209 N -2.83 1.33 -0.02 -0.55 2.46 -1.26 -4.93 115.29 109.49 1nws s HIS 209 Ca 0.01 -0.53 -0.29 0.00 0.47 0.00 0.00 55.06 54.72 1nws s HIS 209 Cb 0.09 -0.71 0.10 0.00 -0.13 0.00 0.00 32.58 31.93 1nws s HIS 209 CO 0.79 0.11 0.89 0.20 -2.47 0.00 0.00 174.74 174.25 1nws s GLY 210 N -2.22 -0.45 0.09 1.59 0.00 -1.26 -4.62 107.32 100.45 1nws s GLY 210 Ca 0.05 1.15 -0.01 0.00 0.00 0.00 0.00 44.72 45.91 1nws s GLY 210 CO 0.03 0.45 0.47 0.00 0.00 0.00 0.00 173.10 174.04 1nws n ALA 211 N -0.08 0.10 -0.21 3.20 0.00 -1.26 -0.21 120.51 122.05 1nws n ALA 211 Ca -0.10 0.33 0.24 0.00 0.00 0.00 0.00 53.44 53.91 1nws n ALA 211 Cb 0.61 -0.21 0.61 0.00 0.00 0.00 0.00 19.45 20.46 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 0.29 0.00 0.00 5.08 -1.96 0.26 115.95 119.62 1nws h TRP 212 Ca 0.16 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.14 1nws h TRP 212 Cb 0.28 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.35 1nws h TRP 212 CO -0.20 0.07 0.00 0.54 -1.28 0.00 0.00 178.44 177.57 1nws n ARG 213 N -4.41 0.03 -0.93 0.12 1.74 0.70 -4.87 116.66 109.05 1nws n ARG 213 Ca 0.19 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1nws n ARG 213 Cb 0.83 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 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 -0.28 0.43 3.08 -0.13 0.00 0.08 -4.99 105.19 103.37 1nws n GLY 214 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.10 0.22 0.60 2.61 -4.23 -1.26 -2.98 115.64 108.50 1nws s THR 215 Ca 0.00 -1.70 -0.17 0.00 -1.18 0.00 0.00 61.69 58.65 1nws s THR 215 Cb 0.00 -1.36 -0.03 0.00 1.34 0.00 0.00 72.50 72.45 1nws s THR 215 CO 0.00 -0.93 1.09 0.42 -0.54 0.00 0.00 174.62 174.66 1nws s THR 216 N -3.59 3.43 -0.30 3.99 -4.23 -0.26 -4.82 115.64 109.87 1nws s THR 216 Ca 0.04 0.73 -0.24 0.00 -1.18 0.00 0.00 61.69 61.05 1nws s THR 216 Cb 0.06 -3.25 0.18 0.00 1.34 0.00 0.00 72.50 70.83 1nws s THR 216 CO -0.09 -0.34 1.35 -0.83 -0.54 0.00 0.00 174.62 174.17 1nws s GLY 217 N -2.41 0.30 0.10 3.99 0.00 -1.26 -1.72 107.32 106.31 1nws s GLY 217 Ca 0.67 3.42 -0.31 0.00 0.00 0.00 0.00 44.72 48.51 1nws s GLY 217 CO 0.35 2.03 1.32 -1.58 0.00 0.00 0.00 173.10 175.22 1nws s HIS 218 N 0.19 3.31 -1.32 1.90 5.65 -1.26 -4.78 115.29 118.99 1nws s HIS 218 Ca 0.05 1.08 0.29 0.00 0.25 0.00 0.00 55.06 56.73 1nws s HIS 218 Cb -0.05 -3.59 1.25 0.00 -1.18 0.00 0.00 32.58 29.02 1nws s HIS 218 CO -0.14 -1.99 1.90 -2.39 -0.65 0.00 0.00 174.74 171.48 1nws n HIS 219 N 3.88 0.00 -3.12 3.88 -0.00 -1.26 -4.26 115.22 114.34 1nws n HIS 219 Ca 0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.65 1nws n HIS 219 Cb 0.44 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.99 30.09 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 -1.28 0.21 -4.81 4.39 2.88 -1.26 -1.07 113.62 112.68 1nws n SER 220 Ca 0.11 -3.06 -0.34 0.00 -1.33 0.00 0.00 58.87 54.25 1nws n SER 220 Cb 0.29 -0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.81 4.20 -0.05 -1.46 0.04 -1.26 -4.89 135.00 129.78 1nws s PRO 221 Ca 0.37 1.21 -0.20 0.00 0.04 0.00 0.00 61.00 62.41 1nws s PRO 221 Cb 0.31 -2.27 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 1nws s PRO 221 CO -0.09 -0.06 0.86 1.25 0.04 0.00 0.00 177.00 179.00 1nws h LEU 222 N 2.05 -0.23 -9.94 -3.56 5.85 -1.67 0.46 115.31 108.28 1nws h LEU 222 Ca -0.49 -0.29 -0.61 0.00 0.84 0.00 0.00 57.88 57.33 1nws h LEU 222 Cb 1.19 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 1nws h LEU 222 CO 0.61 0.30 -0.50 -0.36 -0.34 0.00 0.00 178.44 178.15 1nws s PHE 223 N -3.47 2.29 0.20 1.25 0.08 -1.23 0.50 117.98 117.60 1nws s PHE 223 Ca -0.12 -0.72 -0.08 0.00 0.12 0.00 0.00 56.93 56.13 1nws s PHE 223 Cb 0.01 -1.84 0.12 0.00 -0.57 0.00 0.00 43.02 40.74 1nws s PHE 223 CO 0.44 0.17 1.71 -0.09 -0.10 0.00 0.00 175.22 177.35 1nws h ARG 224 N 1.40 1.12 0.00 0.44 2.43 -1.91 -3.40 114.38 114.45 1nws h ARG 224 Ca -0.43 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 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 1.01 0.00 0.41 -1.51 0.00 0.00 179.97 180.59 1nws n GLY 225 N -0.62 -1.56 3.50 2.80 0.00 -1.18 -4.78 105.19 103.34 1nws n GLY 225 Ca 0.05 -1.32 -0.61 0.00 0.00 0.00 0.00 46.02 44.13 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 0.28 -0.07 1.61 7.27 -1.26 -4.79 117.38 120.41 1nws n GLN 226 Ca 0.00 0.09 0.12 0.00 0.07 0.00 0.00 57.00 57.28 1nws n GLN 226 Cb 0.00 -1.69 0.51 0.00 2.41 0.00 0.00 30.24 31.47 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 7.82 0.38 -0.33 3.69 4.22 -1.97 -2.43 114.58 125.97 1nws h GLU 227 Ca -0.28 -0.02 -0.14 0.00 0.08 0.00 0.00 59.36 59.00 1nws h GLU 227 Cb 1.38 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1nws h GLU 227 CO 1.03 0.25 -0.36 -0.44 -2.18 0.00 0.00 179.01 177.31 1nws h ASP 228 N 0.39 0.80 -0.04 1.04 5.19 -1.98 -3.32 116.42 118.50 1nws h ASP 228 Ca 0.27 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1nws h ASP 228 Cb 0.53 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1nws h ASP 228 CO -0.07 1.07 0.00 0.00 -3.12 0.00 0.00 179.24 177.12 1nws n ALA 229 N -2.52 2.60 -2.89 3.45 0.00 -0.91 -4.89 120.51 115.34 1nws n ALA 229 Ca -0.01 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.74 1nws n ALA 229 Cb 0.51 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.57 1nws n ALA 229 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nws s SER 230 N -1.86 4.44 0.08 0.00 0.01 -1.23 -4.78 113.70 110.36 1nws s SER 230 Ca 0.38 -0.18 -0.31 0.00 1.31 0.00 0.00 55.95 57.15 1nws s SER 230 Cb 0.19 -1.54 -0.17 0.00 0.21 0.00 0.00 66.02 64.72 1nws s SER 230 CO 0.31 0.22 1.64 -0.65 0.41 0.00 0.00 173.24 175.17 1nws h PRO 231 N 6.32 -0.69 -6.39 12.44 0.11 -1.92 -3.45 132.00 138.42 1nws h PRO 231 Ca -0.34 0.05 -0.45 0.00 0.11 0.00 0.00 66.00 65.38 1nws h PRO 231 Cb 1.19 0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.47 1nws h PRO 231 CO 0.57 -0.46 -0.29 0.34 -0.21 0.00 0.00 178.00 177.95 1nws s ASP 232 N -4.57 5.98 -0.03 -2.05 -1.08 -1.26 -5.02 116.67 108.64 1nws s ASP 232 Ca -0.17 -0.05 0.15 0.00 -0.52 0.00 0.00 52.55 51.97 1nws s ASP 232 Cb 0.04 -1.37 -0.20 0.00 -1.46 0.00 0.00 42.92 39.93 1nws s ASP 232 CO 0.63 -0.45 0.63 -2.11 0.52 0.00 0.00 175.17 174.38 1nws n ARG 233 N -1.72 0.64 -0.09 4.34 1.85 -1.26 -4.49 116.66 115.94 1nws n ARG 233 Ca -0.01 0.21 0.03 0.00 -1.00 0.00 0.00 57.85 57.08 1nws n ARG 233 Cb 0.58 -1.75 0.07 0.00 -1.05 0.00 0.00 32.46 30.31 1nws n ARG 233 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 1nws n PHE 234 N -2.91 0.20 -2.04 2.89 1.16 -1.26 -4.83 117.46 110.67 1nws n PHE 234 Ca -0.16 -0.56 -0.41 0.00 -1.87 0.00 0.00 57.45 54.45 1nws n PHE 234 Cb 0.97 -0.06 -0.00 0.00 -1.61 0.00 0.00 39.48 38.77 1nws n PHE 234 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1nws n SER 235 N -0.25 6.55 -3.50 5.98 7.64 -1.26 -4.59 113.62 124.20 1nws n SER 235 Ca 0.06 -3.04 -0.13 0.00 1.01 0.00 0.00 58.87 56.77 1nws n SER 235 Cb 0.37 -1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.08 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 1.00 -0.52 0.08 6.43 2.20 -1.26 -4.78 114.94 118.08 1nws s ASN 236 Ca 0.49 0.12 -0.35 0.00 -0.94 0.00 0.00 52.86 52.18 1nws s ASN 236 Cb 0.14 0.55 -0.17 0.00 -2.00 0.00 0.00 41.25 39.77 1nws s ASN 236 CO -0.05 -0.84 1.54 0.74 -2.94 0.00 0.00 177.10 175.55 1nws h THR 237 N 2.38 0.00 -0.81 0.54 2.02 -0.91 -3.02 112.91 113.11 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 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.51 1nws h THR 237 CO 0.40 0.00 -0.21 -0.78 0.37 0.00 0.00 175.52 175.30 1nws h ASP 238 N -1.02 -0.77 -0.04 4.18 3.58 -0.17 -1.16 116.42 121.02 1nws h ASP 238 Ca -0.07 0.24 0.02 0.00 0.42 0.00 0.00 57.03 57.65 1nws h ASP 238 Cb 0.87 0.51 -0.02 0.00 1.72 0.00 0.00 39.33 42.40 1nws h ASP 238 CO -0.03 -0.27 -0.09 0.22 -2.88 0.00 0.00 179.24 176.19 1nws h TYR 239 N -0.00 -0.22 -0.02 0.28 3.20 -1.80 -2.12 116.97 116.28 1nws h TYR 239 Ca 0.38 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.29 1nws h TYR 239 Cb 0.59 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 1nws h TYR 239 CO -0.64 -0.14 -0.11 0.00 -1.64 0.00 0.00 178.16 175.63 1nws h ALA 240 N 0.88 -0.10 0.14 1.82 0.00 -1.12 0.24 119.26 121.12 1nws h ALA 240 Ca 0.05 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nws h ALA 240 Cb 0.20 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1nws h ALA 240 CO -0.12 -0.59 -0.49 0.28 0.00 0.00 0.00 179.25 178.33 1nws h VAL 241 N -0.17 0.06 -0.94 0.00 2.07 -1.26 0.98 116.25 116.99 1nws h VAL 241 Ca 0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.67 1nws h VAL 241 Cb 0.24 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 29.99 1nws h VAL 241 CO -0.13 0.00 0.58 1.23 0.02 0.00 0.00 177.57 179.27 1nws h GLY 242 N -0.73 1.48 1.00 2.17 0.00 -1.18 -0.65 103.07 105.16 1nws h GLY 242 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1nws h GLY 242 CO -0.26 0.19 0.25 -1.82 0.00 0.00 0.00 176.54 174.90 1nws h TYR 243 N 0.96 0.95 0.22 5.60 3.20 0.20 -1.73 116.97 126.37 1nws h TYR 243 Ca 0.45 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1nws h TYR 243 Cb 0.37 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1nws h TYR 243 CO -0.02 0.75 -0.11 0.52 -1.64 0.00 0.00 178.16 177.66 1nws h MET 244 N 0.87 -0.28 -0.82 1.82 2.86 0.13 -0.00 114.93 119.51 1nws h MET 244 Ca 0.21 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 58.02 1nws h MET 244 Cb 0.20 0.06 -0.10 0.00 0.06 0.00 0.00 31.60 31.83 1nws h MET 244 CO -0.02 -0.03 0.38 -0.07 1.06 0.00 0.00 176.91 178.23 1nws h LEU 245 N -0.51 0.42 -1.43 1.22 3.38 -1.12 0.25 115.31 117.52 1nws h LEU 245 Ca -0.03 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1nws h LEU 245 Cb 0.38 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1nws h LEU 245 CO 0.05 0.16 -0.28 -0.09 0.09 0.00 0.00 178.44 178.37 1nws h ARG 246 N 0.54 0.00 -0.06 1.13 2.43 -1.04 -1.54 114.38 115.84 1nws h ARG 246 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1nws h ARG 246 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1nws h ARG 246 CO -0.39 0.28 0.00 1.28 -1.51 0.00 0.00 179.97 179.63 1nws n LEU 247 N -3.92 0.40 0.00 3.80 4.77 0.86 -4.87 117.00 118.04 1nws n LEU 247 Ca -0.02 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1nws n LEU 247 Cb 0.35 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1nws n LEU 247 CO 0.36 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1nws n GLY 248 N 0.76 1.50 3.65 -0.72 0.00 -0.58 -2.83 105.19 106.98 1nws n GLY 248 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.16 3.47 0.28 4.61 0.00 -0.99 -4.72 121.76 122.25 1nws s ALA 249 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 1nws s ALA 249 Cb 0.00 -3.82 -0.11 0.00 0.00 0.00 0.00 23.12 19.19 1nws s ALA 249 CO 0.00 -1.66 1.50 -2.14 0.00 0.00 0.00 175.76 173.45 1nws s PRO 250 N 4.46 4.20 0.39 0.00 0.02 -1.26 -4.26 135.00 138.55 1nws s PRO 250 Ca 0.79 2.43 0.08 0.00 0.02 0.00 0.00 61.00 64.32 1nws s PRO 250 Cb -0.34 -3.06 0.83 0.00 0.02 0.00 0.00 34.50 31.95 1nws s PRO 250 CO 0.33 -0.50 1.99 0.00 -0.33 0.00 0.00 177.00 178.49 1nws h ALA 251 N 4.70 1.77 0.00 -1.55 0.00 -1.92 -0.77 119.26 121.49 1nws h ALA 251 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nws h ALA 251 Cb 1.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1nws h ALA 251 CO 0.77 0.14 0.00 0.66 0.00 0.00 0.00 179.25 180.82 1nws h SER 252 N 0.63 0.00 -0.39 0.00 4.64 -1.90 -0.81 113.55 115.72 1nws h SER 252 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1nws h SER 252 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 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 -2.81 2.69 -3.85 4.77 5.02 -0.32 -4.19 118.16 119.47 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 -1.32 -0.13 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.01 3.10 -0.18 -0.35 2.96 -0.88 -0.28 118.68 122.05 1nws s LEU 254 Ca 0.27 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1nws s LEU 254 Cb 0.14 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1nws s LEU 254 CO 0.19 -0.03 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.49 1nws s VAL 255 N 1.53 4.00 -0.28 1.68 1.01 0.22 -1.10 120.40 127.47 1nws s VAL 255 Ca 0.06 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 1nws s VAL 255 Cb -0.15 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1nws s VAL 255 CO -0.01 0.46 0.54 -0.32 0.00 0.00 0.00 175.10 175.77 1nws s MET 256 N 0.67 4.00 0.22 2.72 1.75 -0.31 -0.90 119.30 127.46 1nws s MET 256 Ca -0.01 0.29 -0.30 0.00 -1.25 0.00 0.00 55.69 54.43 1nws s MET 256 Cb -0.14 -3.68 -0.09 0.00 2.84 0.00 0.00 34.83 33.76 1nws s MET 256 CO 0.02 -0.42 1.17 0.20 -0.65 0.00 0.00 175.02 175.35 1nws s GLY 257 N 1.57 2.82 -0.07 2.11 0.00 -0.50 -0.45 107.32 112.80 1nws s GLY 257 Ca 0.22 0.96 0.03 0.00 0.00 0.00 0.00 44.72 45.93 1nws s GLY 257 CO 0.10 1.75 -0.15 -0.42 0.00 0.00 0.00 173.10 174.38 1nws s ILE 258 N -0.46 1.33 0.10 0.90 1.01 0.23 -4.23 121.20 120.09 1nws s ILE 258 Ca 0.50 -0.61 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 1nws s ILE 258 Cb -0.33 -1.19 -0.07 0.00 0.01 0.00 0.00 42.46 40.89 1nws s ILE 258 CO 0.39 0.40 0.57 -2.16 0.00 0.00 0.00 174.94 174.13 1nws s PRO 259 N 0.48 4.12 -0.20 2.79 0.04 -1.26 -2.43 135.00 138.54 1nws s PRO 259 Ca -0.13 0.66 0.15 0.00 0.04 0.00 0.00 61.00 61.72 1nws s PRO 259 Cb -0.15 -3.12 0.73 0.00 0.04 0.00 0.00 34.50 31.99 1nws s PRO 259 CO 0.04 0.58 1.64 0.25 0.04 0.00 0.00 177.00 179.55 1nws n THR 260 N 1.38 2.46 -4.22 1.26 -2.24 -0.40 -4.51 114.28 108.01 1nws n THR 260 Ca -0.08 -1.47 -0.13 0.00 -2.27 0.00 0.00 64.05 60.09 1nws n THR 260 Cb 0.51 -0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.58 1.11 0.22 4.78 -0.71 -1.26 -1.09 117.98 118.45 1nws s PHE 261 Ca 0.50 -0.91 0.09 0.00 -1.04 0.00 0.00 56.93 55.58 1nws s PHE 261 Cb 0.38 -0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 1nws s PHE 261 CO 0.16 -0.10 -0.17 0.20 -1.34 0.00 0.00 175.22 173.97 1nws s GLY 262 N -3.13 1.58 -0.18 1.99 0.00 -0.27 -4.59 107.32 102.72 1nws s GLY 262 Ca 0.17 -1.71 -0.09 0.00 0.00 0.00 0.00 44.72 43.09 1nws s GLY 262 CO -0.00 -1.80 0.12 0.50 0.00 0.00 0.00 173.10 171.92 1nws s ARG 263 N -3.49 4.01 0.28 2.90 1.81 -0.77 -2.24 118.95 121.46 1nws s ARG 263 Ca 0.24 -0.22 0.08 0.00 -1.72 0.00 0.00 55.73 54.11 1nws s ARG 263 Cb -0.03 -3.34 -0.04 0.00 -0.45 0.00 0.00 34.95 31.09 1nws s ARG 263 CO 0.10 0.39 0.12 -1.54 -0.68 0.00 0.00 175.30 173.68 1nws s SER 264 N 0.09 5.01 0.05 0.23 1.04 -0.08 -1.85 113.70 118.19 1nws s SER 264 Ca 0.09 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 55.98 1nws s SER 264 Cb -0.11 -1.06 -0.02 0.00 0.10 0.00 0.00 66.02 64.93 1nws s SER 264 CO -0.01 -0.09 0.05 -0.36 0.98 0.00 0.00 173.24 173.82 1nws s PHE 265 N -2.26 0.32 -0.33 5.02 0.08 0.97 -1.83 117.98 119.94 1nws s PHE 265 Ca 0.34 -0.73 -0.09 0.00 0.12 0.00 0.00 56.93 56.56 1nws s PHE 265 Cb -0.06 -0.23 0.02 0.00 -0.57 0.00 0.00 43.02 42.17 1nws s PHE 265 CO 0.23 -0.38 0.15 0.99 -0.10 0.00 0.00 175.22 176.11 1nws s THR 266 N -3.19 4.35 0.58 0.64 2.01 0.63 -1.50 115.64 119.16 1nws s THR 266 Ca 0.00 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 1nws s THR 266 Cb 0.02 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1nws s THR 266 CO -0.07 -0.07 1.33 -0.76 -0.69 0.00 0.00 174.62 174.35 1nws s LEU 267 N 1.54 3.76 0.00 4.42 1.43 0.72 -0.59 118.68 129.96 1nws s LEU 267 Ca 0.02 2.70 0.09 0.00 -1.03 0.00 0.00 54.13 55.91 1nws s LEU 267 Cb -0.18 -4.39 0.02 0.00 0.03 0.00 0.00 46.19 41.66 1nws s LEU 267 CO 0.05 -1.69 0.64 0.00 0.23 0.00 0.00 176.35 175.59 1nws n ALA 268 N -1.30 2.69 -3.00 4.21 0.00 -0.59 -4.58 120.51 117.93 1nws n ALA 268 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1nws n ALA 268 Cb 0.46 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.07 0.00 -0.08 0.00 3.41 -1.26 -5.01 113.62 110.62 1nws n SER 269 Ca 0.04 -0.76 0.15 0.00 -0.26 0.00 0.00 58.87 58.04 1nws n SER 269 Cb 0.20 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 64.91 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 -1.66 0.28 -4.70 4.04 3.41 -1.26 -4.82 113.62 108.91 1nws n SER 270 Ca 0.00 -0.69 -0.42 0.00 -0.26 0.00 0.00 58.87 57.50 1nws n SER 270 Cb 0.00 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.29 4.52 0.00 4.33 2.02 -1.26 -4.93 118.70 121.08 1nws s GLU 271 Ca 0.36 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.75 1nws s GLU 271 Cb 0.21 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1nws s GLU 271 CO 0.42 -0.12 0.88 0.25 0.02 0.00 0.00 175.26 176.71 1nws n THR 272 N 4.08 0.75 -2.38 3.63 -2.24 -1.26 -4.74 114.28 112.14 1nws n THR 272 Ca 0.07 -0.76 -0.23 0.00 -2.27 0.00 0.00 64.05 60.86 1nws n THR 272 Cb 0.50 0.63 0.13 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 -0.38 0.07 3.74 3.38 0.00 -1.26 -4.96 105.19 105.77 1nws n GLY 273 Ca 0.00 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 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 -3.06 2.23 0.00 1.61 1.01 -1.26 -2.24 120.40 118.69 1nws s VAL 274 Ca 0.63 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1nws s VAL 274 Cb -0.03 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1nws s VAL 274 CO 0.43 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1nws n GLY 275 N 2.88 0.73 3.78 4.51 0.00 -0.70 -4.95 105.19 111.43 1nws n GLY 275 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.57 2.43 0.33 4.61 0.00 -0.95 -4.50 121.76 121.12 1nws s ALA 276 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1nws s ALA 276 Cb 0.00 -3.28 -0.11 0.00 0.00 0.00 0.00 23.12 19.73 1nws s ALA 276 CO 0.00 -1.41 1.41 -2.14 0.00 0.00 0.00 175.76 173.62 1nws s PRO 277 N -4.46 4.24 0.17 0.00 0.02 -1.26 -1.10 135.00 132.61 1nws s PRO 277 Ca 0.64 2.37 0.05 0.00 0.02 0.00 0.00 61.00 64.08 1nws s PRO 277 Cb -0.18 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 1nws s PRO 277 CO 0.47 -0.37 -0.09 0.96 -0.33 0.00 0.00 177.00 177.64 1nws s ILE 278 N -0.90 1.23 -1.45 2.83 -4.36 -1.16 -1.55 121.20 115.85 1nws s ILE 278 Ca 0.53 -2.08 0.14 0.00 -0.26 0.00 0.00 60.65 58.98 1nws s ILE 278 Cb -0.43 -1.95 0.04 0.00 1.25 0.00 0.00 42.46 41.37 1nws s ILE 278 CO 0.55 -0.67 0.83 -1.54 0.24 0.00 0.00 174.94 174.36 1nws n SER 279 N -0.25 1.73 0.00 4.36 3.41 0.24 -4.73 113.62 118.37 1nws n SER 279 Ca -0.09 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1nws n SER 279 Cb 0.61 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 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 0.97 -0.42 3.61 5.00 0.00 -1.25 -4.99 105.19 108.10 1nws n GLY 280 Ca 0.07 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.92 0.36 0.84 1.61 0.04 -1.26 -0.26 135.00 134.40 1nws s PRO 281 Ca 0.00 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 1nws s PRO 281 Cb 0.00 -1.67 0.10 0.00 0.04 0.00 0.00 34.50 32.97 1nws s PRO 281 CO 0.00 -3.01 1.11 0.20 0.04 0.00 0.00 177.00 175.34 1nws s GLY 282 N -2.60 1.61 0.28 0.56 0.00 -0.76 -3.41 107.32 103.01 1nws s GLY 282 Ca 0.67 -0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.81 1nws s GLY 282 CO 0.60 0.18 1.50 -0.42 0.00 0.00 0.00 173.10 174.97 1nws s ILE 283 N -3.17 2.35 0.55 0.90 1.01 -1.26 -2.23 121.20 119.35 1nws s ILE 283 Ca 0.62 0.30 -0.20 0.00 0.00 0.00 0.00 60.65 61.37 1nws s ILE 283 Cb -0.15 -3.19 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 1nws s ILE 283 CO 0.54 0.05 0.82 -2.65 0.00 0.00 0.00 174.94 173.70 1nws n PRO 284 N 2.01 0.85 -2.32 2.79 -0.02 -1.26 -4.69 135.00 132.36 1nws n PRO 284 Ca 0.06 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.54 1nws n PRO 284 Cb 0.39 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 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 -1.12 2.30 0.32 -1.23 0.00 -1.25 -4.86 107.32 101.49 1nws s GLY 285 Ca 0.71 0.47 0.03 0.00 0.00 0.00 0.00 44.72 45.93 1nws s GLY 285 CO 0.51 0.79 1.92 -0.09 0.00 0.00 0.00 173.10 176.23 1nws h ARG 286 N 1.02 0.88 0.00 2.90 2.43 -1.95 -2.04 114.38 117.62 1nws h ARG 286 Ca -0.48 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 58.41 1nws h ARG 286 Cb 1.22 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 1nws h ARG 286 CO 0.59 0.58 -2.07 1.19 -1.51 0.00 0.00 179.97 178.75 1nws n PHE 287 N -4.50 0.00 0.79 2.20 3.01 -1.26 -4.53 117.46 113.17 1nws n PHE 287 Ca 0.13 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.71 1nws n PHE 287 Cb 0.25 -0.72 0.11 0.00 -0.01 0.00 0.00 39.48 39.10 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 -2.50 0.11 -3.46 4.37 -2.24 -1.23 -4.48 114.28 104.85 1nws n THR 288 Ca -0.21 -0.12 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 1nws n THR 288 Cb 0.90 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.75 -1.14 -3.19 -0.78 5.02 -0.77 -4.87 118.16 110.68 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 0.38 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.76 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 -4.19 0.44 0.21 1.97 2.12 -1.26 -4.93 118.70 113.05 1nws s GLU 290 Ca 0.00 0.81 -0.31 0.00 0.36 0.00 0.00 54.97 55.83 1nws s GLU 290 Cb -0.00 0.46 -0.15 0.00 0.26 0.00 0.00 34.13 34.69 1nws s GLU 290 CO 0.66 -0.44 1.10 0.00 -0.54 0.00 0.00 175.26 176.05 1nws n ALA 291 N 5.42 -0.67 -0.55 6.30 0.00 -1.26 -1.77 120.51 127.98 1nws n ALA 291 Ca -0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1nws n ALA 291 Cb 0.52 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 1.81 1.00 3.14 0.00 0.00 -0.95 -4.82 105.19 105.38 1nws n GLY 292 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.20 1.04 -0.16 2.61 2.01 -0.73 -0.90 115.64 116.31 1nws s THR 293 Ca 0.00 -1.07 -0.09 0.00 0.31 0.00 0.00 61.69 60.84 1nws s THR 293 Cb 0.00 -0.97 0.06 0.00 0.01 0.00 0.00 72.50 71.59 1nws s THR 293 CO 0.00 -0.09 0.39 -0.76 -0.69 0.00 0.00 174.62 173.47 1nws s LEU 294 N -1.31 -0.01 0.57 4.42 1.43 -0.95 -3.82 118.68 119.01 1nws s LEU 294 Ca -0.00 0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 53.78 1nws s LEU 294 Cb -0.08 1.28 -0.05 0.00 0.03 0.00 0.00 46.19 47.37 1nws s LEU 294 CO 0.01 -0.19 1.03 0.00 0.23 0.00 0.00 176.35 177.44 1nws s ALA 295 N 1.33 2.85 0.38 4.21 0.00 -1.26 -1.12 121.76 128.15 1nws s ALA 295 Ca -0.09 0.32 0.12 0.00 0.00 0.00 0.00 51.96 52.31 1nws s ALA 295 Cb -0.08 -3.20 0.91 0.00 0.00 0.00 0.00 23.12 20.76 1nws s ALA 295 CO -0.12 -0.63 1.87 -0.92 0.00 0.00 0.00 175.76 175.96 1nws h TYR 296 N 0.58 0.72 -0.05 0.00 3.20 0.60 0.33 116.97 122.34 1nws h TYR 296 Ca -0.47 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.30 1nws h TYR 296 Cb 1.21 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1nws h TYR 296 CO 0.60 0.24 -0.52 0.10 -1.64 0.00 0.00 178.16 176.94 1nws h TYR 297 N 0.58 0.17 -0.14 -3.82 -0.00 -1.82 -1.07 116.97 110.87 1nws h TYR 297 Ca 0.45 -0.06 -0.12 0.00 0.00 0.00 0.00 58.73 59.01 1nws h TYR 297 Cb 0.87 -0.03 -0.01 0.00 0.00 0.00 0.00 36.73 37.55 1nws h TYR 297 CO -0.00 0.63 -0.42 0.93 -0.00 0.00 0.00 178.16 179.29 1nws h GLU 298 N 0.11 0.32 -0.59 0.10 5.08 -0.78 -2.82 114.58 115.99 1nws h GLU 298 Ca 0.00 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1nws h GLU 298 Cb 0.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1nws h GLU 298 CO 0.07 0.69 -0.02 0.82 -1.00 0.00 0.00 179.01 179.57 1nws h ILE 299 N 0.26 1.26 -0.68 3.13 2.04 -0.20 -1.77 117.51 121.55 1nws h ILE 299 Ca 0.02 -1.17 0.09 0.00 1.00 0.00 0.00 64.86 64.81 1nws h ILE 299 Cb 0.86 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1nws h ILE 299 CO 0.07 0.42 0.45 0.00 0.00 0.00 0.00 178.15 179.09 1nws h ASP 301 N 0.57 0.53 -0.71 0.00 3.32 -1.39 -3.18 116.42 115.58 1nws h ASP 301 Ca 0.31 -0.56 0.07 0.00 0.02 0.00 0.00 57.03 56.87 1nws h ASP 301 Cb 0.46 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 1nws h ASP 301 CO -0.10 1.00 0.39 0.15 -1.72 0.00 0.00 179.24 178.96 1nws h PHE 302 N 0.09 0.72 -0.55 4.55 3.57 0.15 -2.12 116.94 123.35 1nws h PHE 302 Ca 0.00 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.67 1nws h PHE 302 Cb 0.92 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1nws h PHE 302 CO 0.10 0.33 0.39 -0.07 -2.23 0.00 0.00 178.31 176.82 1nws h LEU 303 N 0.71 0.09 -8.88 0.59 3.38 0.34 -3.35 115.31 108.20 1nws h LEU 303 Ca 0.32 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.74 1nws h LEU 303 Cb 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1nws h LEU 303 CO -0.20 0.05 1.52 -0.13 0.09 0.00 0.00 178.44 179.77 1nws s ARG 304 N -5.11 2.87 0.00 1.13 0.52 -0.80 0.06 118.95 117.62 1nws s ARG 304 Ca -0.06 1.83 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 1nws s ARG 304 Cb 0.20 -4.42 0.00 0.00 0.52 0.00 0.00 34.95 31.25 1nws s ARG 304 CO 0.74 -2.40 0.00 0.41 0.02 0.00 0.00 175.30 174.07 1nws n GLY 305 N 5.81 0.75 4.03 -3.53 0.00 -1.26 -5.05 105.19 105.94 1nws n GLY 305 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.69 4.61 -0.13 4.61 0.00 0.11 -4.94 121.76 123.34 1nws s ALA 306 Ca 0.00 -2.03 0.02 0.00 0.00 0.00 0.00 51.96 49.95 1nws s ALA 306 Cb 0.00 -1.53 0.02 0.00 0.00 0.00 0.00 23.12 21.61 1nws s ALA 306 CO 0.00 -0.79 -0.17 0.99 0.00 0.00 0.00 175.76 175.79 1nws s THR 307 N -2.64 1.69 -0.13 0.00 2.01 -0.51 -4.97 115.64 111.09 1nws s THR 307 Ca 0.61 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 1nws s THR 307 Cb -0.07 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 1nws s THR 307 CO 0.38 0.48 0.23 -0.69 -0.69 0.00 0.00 174.62 174.33 1nws s VAL 308 N 1.08 5.35 -0.12 3.82 1.01 -1.26 -1.58 120.40 128.68 1nws s VAL 308 Ca -0.03 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1nws s VAL 308 Cb -0.14 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1nws s VAL 308 CO -0.04 0.51 -0.17 -1.00 0.00 0.00 0.00 175.10 174.39 1nws s HIS 309 N -0.32 2.24 -0.26 5.22 3.76 -0.10 -4.99 115.29 120.83 1nws s HIS 309 Ca 0.16 -1.11 -0.27 0.00 -0.15 0.00 0.00 55.06 53.69 1nws s HIS 309 Cb -0.13 -1.58 0.01 0.00 1.11 0.00 0.00 32.58 31.99 1nws s HIS 309 CO 0.04 -0.55 0.95 1.03 -0.85 0.00 0.00 174.74 175.37 1nws s ARG 310 N 0.99 4.16 -0.77 1.40 1.81 -1.26 -1.81 118.95 123.45 1nws s ARG 310 Ca -0.05 1.07 -0.26 0.00 -1.72 0.00 0.00 55.73 54.77 1nws s ARG 310 Cb -0.15 -3.67 0.03 0.00 -0.45 0.00 0.00 34.95 30.71 1nws s ARG 310 CO -0.03 -0.66 1.32 0.42 -0.68 0.00 0.00 175.30 175.67 1nws s ILE 311 N 3.16 3.74 0.28 1.52 1.01 -0.05 -4.97 121.20 125.88 1nws s ILE 311 Ca 0.40 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.00 1nws s ILE 311 Cb -0.14 -4.91 -0.13 0.00 0.01 0.00 0.00 42.46 37.29 1nws s ILE 311 CO 0.09 -1.84 1.35 0.18 0.00 0.00 0.00 174.94 174.72 1nws n LEU 312 N 9.42 3.22 0.00 2.97 4.77 -1.26 -1.70 117.00 134.41 1nws n LEU 312 Ca 0.07 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 1nws n LEU 312 Cb 0.49 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1nws n LEU 312 CO 0.70 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1nws n GLY 313 N 1.62 2.81 0.01 -0.72 0.00 -1.26 -4.46 105.19 103.19 1nws n GLY 313 Ca 0.09 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.79 -1.27 1.61 6.02 -0.69 -3.09 117.38 120.75 1nws n GLN 314 Ca 0.00 -0.11 -0.09 0.00 -0.01 0.00 0.00 57.00 56.79 1nws n GLN 314 Cb 0.00 -1.39 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.89 -1.14 -4.32 -1.09 1.13 -0.77 -1.68 117.38 107.63 1nws n GLN 315 Ca -0.01 0.78 -0.21 0.00 -1.94 0.00 0.00 57.00 55.62 1nws n GLN 315 Cb 0.40 -4.86 -0.11 0.00 0.11 0.00 0.00 30.24 25.78 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 -2.11 1.75 0.23 5.09 -7.23 -1.25 -4.57 120.40 112.30 1nws s VAL 316 Ca 0.00 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 1nws s VAL 316 Cb 0.00 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 1nws s VAL 316 CO 0.00 -0.38 0.25 -2.16 -0.31 0.00 0.00 175.10 172.50 1nws s PRO 317 N -2.94 3.12 0.04 4.82 0.04 -1.25 -0.87 135.00 137.96 1nws s PRO 317 Ca 0.16 -0.90 0.02 0.00 0.04 0.00 0.00 61.00 60.32 1nws s PRO 317 Cb -0.05 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1nws s PRO 317 CO 0.06 0.43 -0.07 1.52 0.04 0.00 0.00 177.00 178.98 1nws s TYR 318 N -2.00 0.61 0.07 0.56 -0.85 -0.75 -2.34 117.35 112.65 1nws s TYR 318 Ca 0.33 -0.46 0.08 0.00 -0.52 0.00 0.00 57.07 56.50 1nws s TYR 318 Cb -0.09 -0.37 -0.03 0.00 0.38 0.00 0.00 41.96 41.85 1nws s TYR 318 CO 0.26 -0.08 -0.21 0.00 -1.52 0.00 0.00 175.55 173.99 1nws s ALA 319 N -1.26 1.83 -0.01 9.51 0.00 0.14 -0.93 121.76 131.05 1nws s ALA 319 Ca -0.09 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 1nws s ALA 319 Cb -0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 1nws s ALA 319 CO 0.00 0.39 0.05 -0.08 0.00 0.00 0.00 175.76 176.12 1nws s THR 320 N -0.97 0.04 -0.25 0.00 -1.32 -0.62 -0.99 115.64 111.53 1nws s THR 320 Ca 0.07 -0.35 -0.12 0.00 -1.21 0.00 0.00 61.69 60.09 1nws s THR 320 Cb -0.09 -0.19 0.09 0.00 -1.51 0.00 0.00 72.50 70.80 1nws s THR 320 CO 0.03 -0.19 0.59 -0.75 -2.21 0.00 0.00 174.62 172.09 1nws s LYS 321 N -0.58 0.57 5.92 7.08 2.20 -0.93 -1.42 119.74 132.57 1nws s LYS 321 Ca -0.07 1.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 1nws s LYS 321 Cb -0.04 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 1nws s LYS 321 CO 0.00 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1nws n GLY 322 N 4.70 2.86 1.60 5.54 0.00 -1.26 -1.97 105.19 116.66 1nws n GLY 322 Ca -0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 1.31 4.04 -4.52 1.61 6.94 -1.26 -4.89 115.26 118.48 1nws n ASN 323 Ca 0.00 -2.80 -0.32 0.00 -0.02 0.00 0.00 54.58 51.44 1nws n ASN 323 Cb 0.00 -0.67 -0.12 0.00 -2.36 0.00 0.00 39.78 36.64 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 2.41 -0.02 -3.83 -1.52 -0.83 -0.20 119.66 113.43 1nws s GLN 324 Ca 0.38 -0.78 0.00 0.00 -1.95 0.00 0.00 55.36 53.02 1nws s GLN 324 Cb 0.30 -2.38 0.03 0.00 -0.22 0.00 0.00 33.01 30.73 1nws s GLN 324 CO 0.10 0.59 0.01 -0.46 -0.25 0.00 0.00 175.29 175.28 1nws s TRP 325 N -0.90 0.18 -0.03 0.91 -0.00 -0.56 -2.19 118.94 116.35 1nws s TRP 325 Ca 0.15 0.06 -0.01 0.00 -0.00 0.00 0.00 56.10 56.29 1nws s TRP 325 Cb -0.11 -0.31 0.03 0.00 -0.00 0.00 0.00 33.47 33.08 1nws s TRP 325 CO 0.05 -0.10 0.06 0.54 -0.00 0.00 0.00 176.95 177.49 1nws s VAL 326 N 0.97 -0.08 -0.17 5.86 0.11 -0.16 -0.02 120.40 126.91 1nws s VAL 326 Ca -0.09 0.27 -0.11 0.00 -2.93 0.00 0.00 61.98 59.12 1nws s VAL 326 Cb -0.13 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 1nws s VAL 326 CO -0.02 0.11 0.18 -0.83 -3.33 0.00 0.00 175.10 171.21 1nws s GLY 327 N 1.38 2.12 0.11 6.54 0.00 -0.77 -0.68 107.32 116.01 1nws s GLY 327 Ca -0.05 -0.60 -0.03 0.00 0.00 0.00 0.00 44.72 44.04 1nws s GLY 327 CO -0.04 0.12 0.19 1.58 0.00 0.00 0.00 173.10 174.95 1nws n TYR 328 N 3.20 -1.08 -4.36 1.90 4.11 -0.99 -1.84 117.16 118.09 1nws n TYR 328 Ca -0.16 -0.60 -0.28 0.00 -0.00 0.00 0.00 57.90 56.86 1nws n TYR 328 Cb 0.53 0.22 -0.12 0.00 -0.00 0.00 0.00 39.34 39.96 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 -1.60 3.60 0.35 9.48 1.01 -1.26 -3.78 116.67 124.46 1nws s ASP 329 Ca 0.06 -0.70 0.05 0.00 0.71 0.00 0.00 52.55 52.67 1nws s ASP 329 Cb -0.01 -0.37 -0.02 0.00 1.01 0.00 0.00 42.92 43.53 1nws s ASP 329 CO 0.05 0.16 0.36 1.51 0.21 0.00 0.00 175.17 177.46 1nws s ASP 330 N -2.30 1.53 0.20 0.27 1.47 -1.26 -4.95 116.67 111.64 1nws s ASP 330 Ca 0.18 -1.70 -0.19 0.00 1.18 0.00 0.00 52.55 52.01 1nws s ASP 330 Cb -0.10 0.61 0.17 0.00 -0.34 0.00 0.00 42.92 43.27 1nws s ASP 330 CO 0.09 -1.17 1.57 1.56 0.68 0.00 0.00 175.17 177.90 1nws h GLN 331 N 2.09 -0.10 -0.19 2.11 7.50 -1.92 0.74 115.11 125.34 1nws h GLN 331 Ca -0.26 0.01 0.02 0.00 0.50 0.00 0.00 58.65 58.92 1nws h GLN 331 Cb 1.23 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.76 1nws h GLN 331 CO 0.36 -0.06 0.06 1.49 -1.50 0.00 0.00 178.83 179.18 1nws h GLU 332 N -0.10 0.14 -0.43 1.46 4.81 -1.99 -1.60 114.58 116.87 1nws h GLU 332 Ca 0.28 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1nws h GLU 332 Cb 0.57 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1nws h GLU 332 CO -0.80 0.09 -0.22 0.66 -0.73 0.00 0.00 179.01 178.01 1nws h SER 333 N 0.14 0.94 -0.20 1.04 4.64 -1.54 -2.46 113.55 116.12 1nws h SER 333 Ca 0.08 -0.41 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1nws h SER 333 Cb 0.06 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 1nws h SER 333 CO -0.09 1.15 -0.02 -0.37 -0.87 0.00 0.00 176.83 176.62 1nws h VAL 334 N 0.74 1.20 -0.05 0.95 -1.51 -0.80 -0.67 116.25 116.11 1nws h VAL 334 Ca 0.09 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1nws h VAL 334 Cb 0.80 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 1nws h VAL 334 CO 0.07 0.27 0.02 0.50 -1.23 0.00 0.00 177.57 177.19 1nws h LYS 335 N 0.48 0.04 -0.79 5.19 3.64 -1.11 0.97 116.57 124.99 1nws h LYS 335 Ca 0.10 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1nws h LYS 335 Cb 0.34 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 1nws h LYS 335 CO 0.01 0.03 0.51 0.77 -2.27 0.00 0.00 179.45 178.50 1nws h SER 336 N 0.04 0.84 -0.26 4.20 0.02 -0.95 0.54 113.55 117.99 1nws h SER 336 Ca 0.02 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1nws h SER 336 Cb 0.01 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1nws h SER 336 CO -0.03 0.59 -0.05 0.11 -1.14 0.00 0.00 176.83 176.32 1nws h LYS 337 N 0.99 0.62 -0.21 3.45 1.57 -0.60 0.13 116.57 122.53 1nws h LYS 337 Ca 0.31 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1nws h LYS 337 Cb -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1nws h LYS 337 CO -0.10 0.68 -0.23 0.28 -0.57 0.00 0.00 179.45 179.50 1nws h VAL 338 N 0.58 1.33 -0.46 0.50 2.07 -0.17 -1.65 116.25 118.46 1nws h VAL 338 Ca 0.11 -1.41 0.09 0.00 0.82 0.00 0.00 66.70 66.31 1nws h VAL 338 Cb 0.44 1.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.89 1nws h VAL 338 CO 0.02 0.43 -0.17 -0.61 0.02 0.00 0.00 177.57 177.27 1nws h GLN 339 N 0.20 -0.07 -0.13 1.57 5.75 -0.43 0.21 115.11 122.21 1nws h GLN 339 Ca 0.03 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1nws h GLN 339 Cb 0.79 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.32 1nws h GLN 339 CO 0.06 -0.04 -0.11 -0.92 -2.65 0.00 0.00 178.83 175.16 1nws h TYR 340 N -0.07 -0.27 -0.55 3.99 3.20 -0.56 -0.92 116.97 121.80 1nws h TYR 340 Ca 0.22 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 1nws h TYR 340 Cb 0.40 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1nws h TYR 340 CO -0.44 -0.17 0.03 1.37 -1.64 0.00 0.00 178.16 177.32 1nws h LEU 341 N -0.12 0.88 -0.29 2.82 8.10 -0.39 -1.51 115.31 124.79 1nws h LEU 341 Ca 0.09 -0.22 -0.03 0.00 0.11 0.00 0.00 57.88 57.83 1nws h LEU 341 Cb 0.25 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.22 1nws h LEU 341 CO -0.21 0.92 0.08 0.11 -4.11 0.00 0.00 178.44 175.23 1nws h LYS 342 N 0.85 0.47 0.00 0.17 1.57 -0.79 0.49 116.57 119.32 1nws h LYS 342 Ca 0.16 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1nws h LYS 342 Cb 0.46 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1nws h LYS 342 CO 0.02 0.54 0.00 -0.44 -0.57 0.00 0.00 179.45 179.00 1nws h ASP 343 N 0.31 0.00 0.02 0.86 3.32 -0.78 0.43 116.42 120.59 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 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1nws h ASP 343 CO -0.00 0.00 -0.42 0.54 -1.72 0.00 0.00 179.24 177.64 1nws n ARG 344 N -2.75 1.21 -3.40 3.56 5.12 -0.39 -4.99 116.66 115.02 1nws n ARG 344 Ca -0.02 -0.96 -0.17 0.00 -1.93 0.00 0.00 57.85 54.77 1nws n ARG 344 Cb 0.09 -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 -0.06 -4.61 -3.38 5.56 6.02 0.15 -4.95 117.38 116.11 1nws n GLN 345 Ca 0.10 0.82 -0.22 0.00 -0.01 0.00 0.00 57.00 57.69 1nws n GLN 345 Cb 0.45 -5.72 -0.01 0.00 1.02 0.00 0.00 30.24 25.99 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 -6.04 3.95 0.53 1.08 1.43 -0.78 -4.03 118.68 114.81 1nws s LEU 346 Ca 0.19 0.23 0.19 0.00 -1.03 0.00 0.00 54.13 53.70 1nws s LEU 346 Cb -0.03 -3.10 1.32 0.00 0.03 0.00 0.00 46.19 44.41 1nws s LEU 346 CO 0.75 -0.40 2.12 0.00 0.23 0.00 0.00 176.35 179.05 1nws h ALA 347 N 0.74 2.09 0.00 4.21 0.00 0.34 -3.46 119.26 123.17 1nws h ALA 347 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nws h ALA 347 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1nws h ALA 347 CO 0.59 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1nws n GLY 348 N -1.55 -0.13 3.60 0.00 0.00 -1.24 -0.36 105.19 105.51 1nws n GLY 348 Ca -0.00 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 3.02 -0.05 4.61 0.00 -0.80 -1.16 121.76 126.39 1nws s ALA 349 Ca 0.00 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.81 1nws s ALA 349 Cb 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1nws s ALA 349 CO 0.00 0.65 -0.18 1.41 0.00 0.00 0.00 175.76 177.64 1nws s MET 350 N -2.14 2.47 -0.09 0.00 0.00 0.40 -1.51 119.30 118.42 1nws s MET 350 Ca 0.22 -0.77 0.04 0.00 0.00 0.00 0.00 55.69 55.18 1nws s MET 350 Cb -0.11 -2.30 -0.01 0.00 0.00 0.00 0.00 34.83 32.41 1nws s MET 350 CO 0.14 0.56 -0.21 0.08 0.00 0.00 0.00 175.02 175.59 1nws s VAL 351 N -0.59 2.39 -0.25 10.11 1.01 0.13 0.75 120.40 133.96 1nws s VAL 351 Ca 0.08 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1nws s VAL 351 Cb -0.11 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.42 1nws s VAL 351 CO 0.01 0.56 0.04 0.86 0.00 0.00 0.00 175.10 176.56 1nws s TRP 352 N 0.10 1.59 0.13 5.22 -0.11 -1.02 -1.82 118.94 123.04 1nws s TRP 352 Ca -0.10 -1.39 -0.02 0.00 1.22 0.00 0.00 56.10 55.82 1nws s TRP 352 Cb -0.16 -1.42 -0.04 0.00 -1.50 0.00 0.00 33.47 30.36 1nws s TRP 352 CO 0.06 -0.75 0.07 0.00 -4.62 0.00 0.00 176.95 171.71 1nws s ALA 353 N 1.66 0.81 0.47 5.86 0.00 -1.26 -1.27 121.76 128.04 1nws s ALA 353 Ca 0.02 -1.44 0.18 0.00 0.00 0.00 0.00 51.96 50.72 1nws s ALA 353 Cb -0.18 0.88 1.17 0.00 0.00 0.00 0.00 23.12 25.00 1nws s ALA 353 CO -0.14 -0.50 2.00 -0.07 0.00 0.00 0.00 175.76 177.05 1nws h LEU 354 N 2.84 0.21 -0.09 0.00 3.38 -0.60 -0.04 115.31 121.01 1nws h LEU 354 Ca -0.35 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1nws h LEU 354 Cb 1.20 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1nws h LEU 354 CO 0.58 0.13 -0.00 -0.90 0.09 0.00 0.00 178.44 178.33 1nws n ASP 355 N -4.45 0.15 -0.00 -0.43 5.68 -1.26 -3.17 116.55 113.07 1nws n ASP 355 Ca 0.08 -0.95 0.07 0.00 -0.50 0.00 0.00 54.79 53.49 1nws n ASP 355 Cb 0.42 -0.03 -0.09 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.92 0.44 -4.89 -2.12 4.77 -0.04 -4.89 117.00 109.35 1nws n LEU 356 Ca 0.22 -0.33 -0.29 0.00 -0.03 0.00 0.00 56.01 55.58 1nws n LEU 356 Cb 0.15 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1nws n LEU 356 CO 0.19 0.11 0.70 -0.62 -1.33 0.00 0.00 177.39 176.44 1nws s ASP 357 N -2.82 5.51 -1.15 -1.43 -1.08 -1.14 -0.93 116.67 113.62 1nws s ASP 357 Ca 0.02 1.05 -0.22 0.00 -0.52 0.00 0.00 52.55 52.87 1nws s ASP 357 Cb 0.10 -1.90 -0.05 0.00 -1.46 0.00 0.00 42.92 39.62 1nws s ASP 357 CO 0.60 -1.26 1.88 -0.62 0.52 0.00 0.00 175.17 176.28 1nws s ASP 358 N -4.34 5.45 0.24 -0.34 2.15 -1.26 -4.65 116.67 113.92 1nws s ASP 358 Ca 0.57 -1.65 0.26 0.00 0.43 0.00 0.00 52.55 52.16 1nws s ASP 358 Cb -0.11 -2.58 0.84 0.00 -0.30 0.00 0.00 42.92 40.77 1nws s ASP 358 CO 0.50 -2.60 1.76 2.19 -0.17 0.00 0.00 175.17 176.85 1nws h PHE 359 N 9.57 0.00 0.05 -5.34 -5.15 -1.90 0.10 116.94 114.28 1nws h PHE 359 Ca 0.24 0.00 -0.29 0.00 -0.20 0.00 0.00 57.97 57.72 1nws h PHE 359 Cb 0.94 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.08 1nws h PHE 359 CO 1.26 0.00 -1.54 1.96 -2.00 0.00 0.00 178.31 177.98 1nws h GLN 360 N 0.00 0.11 0.00 6.09 1.08 -1.92 -3.42 115.11 117.05 1nws h GLN 360 Ca 0.00 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1nws h GLN 360 Cb 0.65 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1nws h GLN 360 CO 0.00 0.87 0.00 0.41 -0.95 0.00 0.00 178.83 179.16 1nws n GLY 361 N 1.60 0.76 0.09 3.46 0.00 -1.10 -4.79 105.19 105.20 1nws n GLY 361 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 1nws n GLY 361 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nws h SER 362 N 0.00 0.00 0.06 1.61 4.64 -1.84 -3.02 113.55 115.01 1nws h SER 362 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1nws h SER 362 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1nws h SER 362 CO 0.00 0.77 -0.62 -0.26 -0.87 0.00 0.00 176.83 175.85 1nws h PHE 363 N 0.00 0.50 -0.28 4.77 -1.00 -1.90 -3.33 116.94 115.69 1nws h PHE 363 Ca -0.21 -0.32 0.00 0.00 2.81 0.00 0.00 57.97 60.26 1nws h PHE 363 Cb 1.77 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 41.29 1nws h PHE 363 CO 0.00 1.19 0.00 0.00 -1.61 0.00 0.00 178.31 177.89 1nws n GLY 365 N 0.81 -1.37 4.63 0.00 0.00 -1.25 -4.82 105.19 103.19 1nws n GLY 365 Ca 0.10 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.88 0.00 -0.25 1.61 1.13 -1.26 -3.50 117.38 114.23 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 -3.59 0.00 0.00 0.11 0.00 0.00 30.24 26.76 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 -4.74 1.08 8.00 -1.14 -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 -1.88 -0.02 0.00 -0.02 0.00 0.00 41.12 39.20 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 4.36 0.20 0.64 2.96 -1.23 -4.61 118.68 121.00 1nws s LEU 368 Ca 0.00 2.80 -0.09 0.00 -0.22 0.00 0.00 54.13 56.62 1nws s LEU 368 Cb 0.00 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 1nws s LEU 368 CO 0.00 -0.84 0.51 -0.13 -1.32 0.00 0.00 176.35 174.57 1nws s ARG 369 N 0.01 3.79 -1.33 1.98 0.52 -1.26 -4.13 118.95 118.53 1nws s ARG 369 Ca 0.65 0.23 -0.12 0.00 -0.52 0.00 0.00 55.73 55.97 1nws s ARG 369 Cb -0.46 -2.73 0.01 0.00 0.52 0.00 0.00 34.95 32.29 1nws s ARG 369 CO 0.42 0.37 0.49 1.19 0.02 0.00 0.00 175.30 177.79 1nws n PHE 370 N 0.06 -1.60 -0.19 -0.53 3.72 0.34 -4.74 117.46 114.52 1nws n PHE 370 Ca -0.01 0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.91 1nws n PHE 370 Cb 0.52 -3.33 0.10 0.00 -0.94 0.00 0.00 39.48 35.83 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 -2.00 0.18 0.05 -1.08 0.13 -1.77 0.31 132.00 127.82 1nws h PRO 371 Ca -0.66 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1nws h PRO 371 Cb 1.38 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1nws h PRO 371 CO 0.58 0.12 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.38 1nws h LEU 372 N 0.19 -0.06 -0.56 1.56 3.38 -1.94 -1.20 115.31 116.69 1nws h LEU 372 Ca 0.30 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nws h LEU 372 Cb 0.47 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1nws h LEU 372 CO -0.44 0.34 0.33 0.74 0.09 0.00 0.00 178.44 179.50 1nws h THR 373 N -0.46 1.17 -0.63 0.22 2.02 -1.88 -0.22 112.91 113.13 1nws h THR 373 Ca -0.01 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1nws h THR 373 Cb 0.42 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1nws h THR 373 CO 0.01 0.18 0.21 0.78 0.37 0.00 0.00 175.52 177.08 1nws h ASN 374 N 0.75 0.87 -0.45 4.18 2.35 -0.43 -0.01 115.58 122.84 1nws h ASN 374 Ca 0.20 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1nws h ASN 374 Cb 0.00 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1nws h ASN 374 CO -0.04 0.80 0.29 0.00 -1.65 0.00 0.00 177.43 176.83 1nws h ALA 375 N 1.32 0.58 -0.40 -0.83 0.00 -0.37 0.87 119.26 120.43 1nws h ALA 375 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1nws h ALA 375 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1nws h ALA 375 CO -0.01 -0.01 0.20 0.82 0.00 0.00 0.00 179.25 180.25 1nws h ILE 376 N 0.58 1.17 -0.71 0.00 2.04 -0.41 -1.46 117.51 118.72 1nws h ILE 376 Ca 0.17 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1nws h ILE 376 Cb -0.03 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1nws h ILE 376 CO -0.06 0.18 0.45 0.50 0.00 0.00 0.00 178.15 179.22 1nws h LYS 377 N 0.52 0.95 0.17 2.37 3.64 -0.60 -1.78 116.57 121.83 1nws h LYS 377 Ca 0.14 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1nws h LYS 377 Cb 0.10 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1nws h LYS 377 CO -0.02 0.65 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.29 1nws h ASP 378 N 0.97 -0.19 -0.98 4.20 3.32 -0.52 -2.74 116.42 120.47 1nws h ASP 378 Ca 0.26 -0.07 0.12 0.00 0.02 0.00 0.00 57.03 57.36 1nws h ASP 378 Cb -0.08 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.44 1nws h ASP 378 CO -0.05 -0.05 0.61 0.00 -1.72 0.00 0.00 179.24 178.02 1nws h ALA 379 N 0.50 1.47 -0.51 3.45 0.00 -1.09 -0.05 119.26 123.02 1nws h ALA 379 Ca -0.02 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1nws h ALA 379 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1nws h ALA 379 CO 0.04 0.21 0.20 -0.07 0.00 0.00 0.00 179.25 179.62 1nws h LEU 380 N 0.97 0.67 0.00 0.00 3.38 -1.10 -2.63 115.31 116.60 1nws h LEU 380 Ca 0.49 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.31 1nws h LEU 380 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1nws h LEU 380 CO -0.27 0.61 -0.70 0.00 0.09 0.00 0.00 178.44 178.17 1nws h ALA 381 N 1.49 0.71 -2.10 1.53 0.00 -1.02 -3.48 119.26 116.39 1nws h ALA 381 Ca 0.18 -0.32 -0.47 0.00 0.00 0.00 0.00 54.91 54.30 1nws h ALA 381 Cb 0.16 0.04 0.22 0.00 0.00 0.00 0.00 17.79 18.20 1nws h ALA 381 CO -0.02 0.38 -0.17 0.00 0.00 0.00 0.00 179.25 179.45 1nws n ALA 382 N -2.22 -2.55 -0.61 0.00 0.00 -0.13 -5.12 120.51 109.88 1nws n ALA 382 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1nws n ALA 382 Cb 0.66 -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