#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwu s LYS 23 N 0.00 4.06 -0.44 -0.72 1.02 0.11 -4.96 119.74 118.81 1nwu s LYS 23 Ca 0.00 0.57 0.02 0.00 0.02 0.00 0.00 55.97 56.59 1nwu s LYS 23 Cb 0.00 -3.16 0.13 0.00 -0.52 0.00 0.00 37.83 34.28 1nwu s LYS 23 CO 0.00 0.62 0.22 -1.17 -0.92 0.00 0.00 175.35 174.10 1nwu s LEU 24 N -1.32 3.08 -0.30 3.17 2.96 -1.26 -1.58 118.68 123.43 1nwu s LEU 24 Ca 0.30 -2.59 -0.21 0.00 -0.22 0.00 0.00 54.13 51.41 1nwu s LEU 24 Cb -0.18 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 1nwu s LEU 24 CO 0.17 -0.28 0.66 -0.69 -1.32 0.00 0.00 176.35 174.89 1nwu s VAL 25 N 0.37 4.91 -0.08 1.68 1.01 -0.15 -1.50 120.40 126.65 1nwu s VAL 25 Ca 0.16 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.13 1nwu s VAL 25 Cb -0.24 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 1nwu s VAL 25 CO -0.02 -0.15 -0.24 0.00 0.00 0.00 0.00 175.10 174.69 1nwu s TYR 27 N 0.09 3.52 -0.06 0.00 2.02 -0.69 -0.08 117.35 122.16 1nwu s TYR 27 Ca -0.11 0.94 0.02 0.00 -0.37 0.00 0.00 57.07 57.56 1nwu s TYR 27 Cb -0.16 -2.29 0.01 0.00 -0.40 0.00 0.00 41.96 39.12 1nwu s TYR 27 CO 0.06 0.36 -0.11 -0.47 -1.57 0.00 0.00 175.55 173.82 1nwu s TYR 28 N -1.63 1.30 -0.15 2.71 5.04 -0.02 -0.77 117.35 123.83 1nwu s TYR 28 Ca 0.42 -0.44 -0.07 0.00 -2.44 0.00 0.00 57.07 54.54 1nwu s TYR 28 Cb -0.13 -0.96 -0.04 0.00 0.35 0.00 0.00 41.96 41.18 1nwu s TYR 28 CO 0.20 -0.23 0.09 0.95 -1.34 0.00 0.00 175.55 175.22 1nwu s THR 29 N 0.59 5.08 -0.59 4.34 -4.23 -1.26 -0.90 115.64 118.67 1nwu s THR 29 Ca -0.12 0.06 0.21 0.00 -1.18 0.00 0.00 61.69 60.66 1nwu s THR 29 Cb -0.14 -3.25 0.21 0.00 1.34 0.00 0.00 72.50 70.66 1nwu s THR 29 CO 0.03 0.53 1.64 -1.54 -0.54 0.00 0.00 174.62 174.73 1nwu n SER 30 N 2.84 0.50 -0.18 3.99 3.41 0.83 -2.72 113.62 122.29 1nwu n SER 30 Ca -0.18 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1nwu n SER 30 Cb 0.53 -0.73 0.20 0.00 -0.26 0.00 0.00 64.21 63.95 1nwu n SER 30 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1nwu n TRP 31 N -2.06 0.00 0.32 7.33 2.14 -1.26 -3.99 117.44 119.91 1nwu n TRP 31 Ca 0.02 0.00 0.16 0.00 2.07 0.00 0.00 57.50 59.75 1nwu n TRP 31 Cb 0.20 -0.12 0.68 0.00 -0.81 0.00 0.00 31.31 31.27 1nwu n TRP 31 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 1nwu h SER 32 N 0.89 0.00 0.05 -0.67 4.64 -1.79 -2.67 113.55 114.00 1nwu h SER 32 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1nwu h SER 32 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1nwu h SER 32 CO 0.00 0.00 -0.12 0.06 -0.87 0.00 0.00 176.83 175.90 1nwu h GLN 33 N 0.00 0.16 0.00 4.77 3.07 -1.67 -2.13 115.11 119.31 1nwu h GLN 33 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1nwu h GLN 33 Cb 0.35 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.89 1nwu h GLN 33 CO 0.00 0.29 0.00 0.66 0.09 0.00 0.00 178.83 179.87 1nwu n TYR 34 N -4.31 0.00 -2.21 0.06 4.01 -1.01 -4.44 117.16 109.27 1nwu n TYR 34 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 1nwu n TYR 34 Cb 0.24 -0.28 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 1nwu n TYR 34 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1nwu s ARG 35 N -2.56 4.42 0.78 -0.72 0.52 -1.09 -4.95 118.95 115.36 1nwu s ARG 35 Ca 0.29 2.11 -0.14 0.00 -0.52 0.00 0.00 55.73 57.46 1nwu s ARG 35 Cb 0.20 -3.11 0.05 0.00 0.52 0.00 0.00 34.95 32.62 1nwu s ARG 35 CO 0.46 -0.10 1.11 0.39 0.02 0.00 0.00 175.30 177.17 1nwu n GLU 36 N 1.05 0.31 0.00 3.54 1.02 -1.26 -2.09 120.64 123.21 1nwu n GLU 36 Ca 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1nwu n GLU 36 Cb 0.43 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 1nwu n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nwu n GLY 37 N 0.77 2.15 0.00 0.62 0.00 -1.26 -0.78 105.19 106.68 1nwu n GLY 37 Ca 0.13 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.11 1nwu n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nwu n ASP 38 N 0.10 0.00 0.14 1.61 8.00 -1.26 -2.02 116.55 123.12 1nwu n ASP 38 Ca 0.00 0.18 0.01 0.00 0.71 0.00 0.00 54.79 55.69 1nwu n ASP 38 Cb 0.00 -0.28 0.11 0.00 -0.02 0.00 0.00 41.12 40.93 1nwu n ASP 38 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1nwu h GLY 39 N 1.13 0.00 -4.86 0.44 0.00 -1.18 -3.45 103.07 95.15 1nwu h GLY 39 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1nwu h GLY 39 CO 0.00 0.00 1.05 -0.45 0.00 0.00 0.00 176.54 177.14 1nwu s SER 40 N -6.55 6.46 -0.09 0.19 0.15 -0.85 -4.68 113.70 108.32 1nwu s SER 40 Ca 0.01 2.73 0.01 0.00 0.70 0.00 0.00 55.95 59.41 1nwu s SER 40 Cb 0.10 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1nwu s SER 40 CO 0.74 -0.96 -0.10 0.00 1.20 0.00 0.00 173.24 174.12 1nwu s PHE 42 N 1.20 2.52 0.41 0.00 0.40 -1.26 -3.07 117.98 118.18 1nwu s PHE 42 Ca -0.04 -0.27 0.21 0.00 -0.60 0.00 0.00 56.93 56.24 1nwu s PHE 42 Cb -0.14 -1.26 1.19 0.00 0.51 0.00 0.00 43.02 43.32 1nwu s PHE 42 CO -0.03 0.48 1.72 -1.35 0.70 0.00 0.00 175.22 176.74 1nwu h PRO 43 N 3.19 0.29 0.00 0.24 0.11 -1.90 0.12 132.00 134.05 1nwu h PRO 43 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1nwu h PRO 43 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nwu h PRO 43 CO 0.50 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1nwu n ASP 44 N -4.67 0.47 -0.29 -2.05 5.75 -1.26 -1.41 116.55 113.09 1nwu n ASP 44 Ca 0.29 0.65 0.15 0.00 -0.01 0.00 0.00 54.79 55.86 1nwu n ASP 44 Cb 1.04 -0.73 0.68 0.00 -1.03 0.00 0.00 41.12 41.07 1nwu n ASP 44 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nwu n ALA 45 N -1.70 2.63 -2.23 2.12 0.00 0.40 -4.88 120.51 116.85 1nwu n ALA 45 Ca 0.01 -0.35 -0.35 0.00 0.00 0.00 0.00 53.44 52.75 1nwu n ALA 45 Cb 0.15 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 1nwu n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nwu s LEU 46 N -2.03 4.30 -0.44 0.00 1.43 -0.50 -5.00 118.68 116.44 1nwu s LEU 46 Ca 0.41 1.24 -0.27 0.00 -1.03 0.00 0.00 54.13 54.48 1nwu s LEU 46 Cb 0.21 -3.51 0.02 0.00 0.03 0.00 0.00 46.19 42.95 1nwu s LEU 46 CO 0.36 0.03 1.00 -0.62 0.23 0.00 0.00 176.35 177.35 1nwu s ASP 47 N -1.78 6.60 0.58 2.29 -1.08 -1.26 -4.92 116.67 117.10 1nwu s ASP 47 Ca 0.42 0.37 0.38 0.00 -0.52 0.00 0.00 52.55 53.21 1nwu s ASP 47 Cb -0.15 -2.49 2.09 0.00 -1.46 0.00 0.00 42.92 40.91 1nwu s ASP 47 CO 0.20 -1.06 2.18 0.08 0.52 0.00 0.00 175.17 177.08 1nwu h ARG 48 N 8.94 0.00 -0.02 4.34 0.11 -1.96 -1.88 114.38 123.91 1nwu h ARG 48 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 1nwu h ARG 48 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1nwu h ARG 48 CO 1.05 0.00 -0.15 1.19 0.10 0.00 0.00 179.97 182.16 1nwu n PHE 49 N -2.86 0.00 0.17 4.08 3.72 -1.26 -4.63 117.46 116.68 1nwu n PHE 49 Ca -0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 1nwu n PHE 49 Cb 0.07 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.53 1nwu n PHE 49 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nwu h LEU 50 N 3.46 -0.36 -9.99 4.37 5.85 -1.75 -3.46 115.31 113.41 1nwu h LEU 50 Ca 0.00 -0.15 -0.52 0.00 0.84 0.00 0.00 57.88 58.05 1nwu h LEU 50 Cb 0.81 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 1nwu h LEU 50 CO 0.00 -0.04 -0.46 0.00 -0.34 0.00 0.00 178.44 177.60 1nwu n THR 52 N -1.35 0.62 -3.77 0.00 -2.24 -0.56 -4.88 114.28 102.11 1nwu n THR 52 Ca -0.00 -0.62 -0.14 0.00 -2.27 0.00 0.00 64.05 61.03 1nwu n THR 52 Cb 0.62 -0.31 -0.15 0.00 -2.10 0.00 0.00 70.33 68.39 1nwu n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nwu s HIS 53 N -3.18 -0.08 -0.12 4.78 3.76 -1.05 -1.54 115.29 117.87 1nwu s HIS 53 Ca -0.06 0.30 0.03 0.00 -0.15 0.00 0.00 55.06 55.18 1nwu s HIS 53 Cb 0.11 -0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.67 1nwu s HIS 53 CO 0.85 -0.12 -0.22 0.42 -0.85 0.00 0.00 174.74 174.83 1nwu s ILE 54 N 0.95 2.20 -0.18 0.60 1.01 -0.56 -0.31 121.20 124.90 1nwu s ILE 54 Ca -0.08 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 1nwu s ILE 54 Cb -0.10 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1nwu s ILE 54 CO -0.04 0.55 -0.06 -0.63 0.00 0.00 0.00 174.94 174.77 1nwu s ILE 55 N 0.48 3.53 -0.08 2.92 1.01 0.88 -1.53 121.20 128.41 1nwu s ILE 55 Ca -0.15 -0.47 -0.24 0.00 0.00 0.00 0.00 60.65 59.79 1nwu s ILE 55 Cb -0.17 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1nwu s ILE 55 CO 0.06 0.47 0.75 -0.47 0.00 0.00 0.00 174.94 175.75 1nwu s TYR 56 N 0.79 3.56 -0.09 3.97 6.14 0.39 -0.84 117.35 131.28 1nwu s TYR 56 Ca -0.02 1.30 0.02 0.00 0.64 0.00 0.00 57.07 59.01 1nwu s TYR 56 Cb -0.15 -2.87 0.01 0.00 0.42 0.00 0.00 41.96 39.37 1nwu s TYR 56 CO 0.02 0.02 -0.16 -1.12 0.64 0.00 0.00 175.55 174.95 1nwu s SER 57 N 0.89 2.29 0.15 4.32 0.01 -0.08 0.03 113.70 121.30 1nwu s SER 57 Ca 0.39 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.28 1nwu s SER 57 Cb -0.18 -1.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 1nwu s SER 57 CO 0.18 0.06 -0.05 -0.36 0.41 0.00 0.00 173.24 173.48 1nwu s PHE 58 N 0.69 1.17 0.23 2.43 0.08 -1.26 -0.12 117.98 121.20 1nwu s PHE 58 Ca -0.13 -0.90 -0.01 0.00 0.12 0.00 0.00 56.93 56.01 1nwu s PHE 58 Cb -0.16 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.60 1nwu s PHE 58 CO 0.03 -0.09 0.43 0.00 -0.10 0.00 0.00 175.22 175.49 1nwu s ALA 59 N -3.52 3.79 0.57 5.36 0.00 0.17 -4.45 121.76 123.68 1nwu s ALA 59 Ca 0.19 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.40 1nwu s ALA 59 Cb 0.05 -2.04 0.07 0.00 0.00 0.00 0.00 23.12 21.20 1nwu s ALA 59 CO 0.01 0.35 0.64 1.21 0.00 0.00 0.00 175.76 177.97 1nwu s ASN 60 N -3.30 4.87 -0.18 0.00 2.47 0.36 -3.33 114.94 115.83 1nwu s ASN 60 Ca 0.39 -1.05 -0.03 0.00 0.42 0.00 0.00 52.86 52.59 1nwu s ASN 60 Cb -0.11 0.43 0.06 0.00 -1.45 0.00 0.00 41.25 40.18 1nwu s ASN 60 CO 0.30 -1.28 0.04 -0.63 -3.72 0.00 0.00 177.10 171.80 1nwu s ILE 61 N -2.73 0.42 -0.06 -5.21 1.01 -1.26 -1.05 121.20 112.31 1nwu s ILE 61 Ca 0.50 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1nwu s ILE 61 Cb -0.04 -0.91 -0.00 0.00 0.01 0.00 0.00 42.46 41.52 1nwu s ILE 61 CO 0.31 -0.16 -0.20 -0.44 0.00 0.00 0.00 174.94 174.45 1nwu s SER 62 N 1.91 2.56 -1.45 3.58 0.01 0.71 -4.68 113.70 116.34 1nwu s SER 62 Ca 0.00 -0.44 -0.06 0.00 1.31 0.00 0.00 55.95 56.77 1nwu s SER 62 Cb -0.16 -0.90 0.03 0.00 0.21 0.00 0.00 66.02 65.20 1nwu s SER 62 CO -0.08 0.16 0.49 0.59 0.41 0.00 0.00 173.24 174.82 1nwu n ASN 63 N 3.29 -5.22 -0.81 2.44 3.02 -1.26 -0.38 115.26 116.34 1nwu n ASN 63 Ca -0.19 -0.27 -0.11 0.00 -0.03 0.00 0.00 54.58 53.99 1nwu n ASN 63 Cb 0.53 -4.26 -0.05 0.00 -0.61 0.00 0.00 39.78 35.39 1nwu n ASN 63 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1nwu n ASP 64 N -2.37 -4.68 -4.44 6.41 8.00 -1.26 -4.96 116.55 113.25 1nwu n ASP 64 Ca -0.09 0.26 -0.31 0.00 0.71 0.00 0.00 54.79 55.36 1nwu n ASP 64 Cb 0.60 -3.11 -0.13 0.00 -0.02 0.00 0.00 41.12 38.46 1nwu n ASP 64 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1nwu s HIS 65 N -2.26 2.54 0.35 1.24 3.76 0.49 -1.56 115.29 119.85 1nwu s HIS 65 Ca 0.00 -0.27 -0.27 0.00 -0.15 0.00 0.00 55.06 54.37 1nwu s HIS 65 Cb 0.00 -1.49 -0.09 0.00 1.11 0.00 0.00 32.58 32.11 1nwu s HIS 65 CO 0.00 0.20 1.18 -1.50 -0.85 0.00 0.00 174.74 173.77 1nwu s ILE 66 N -0.85 3.17 0.23 0.60 2.07 -1.26 -0.21 121.20 124.95 1nwu s ILE 66 Ca 0.13 1.08 -0.15 0.00 -1.41 0.00 0.00 60.65 60.30 1nwu s ILE 66 Cb -0.10 -3.65 0.01 0.00 0.13 0.00 0.00 42.46 38.85 1nwu s ILE 66 CO 0.04 0.18 0.52 -0.62 -1.91 0.00 0.00 174.94 173.15 1nwu s ASP 67 N -0.93 -0.16 0.88 4.50 2.15 -0.22 -4.83 116.67 118.06 1nwu s ASP 67 Ca 0.52 -0.74 -0.11 0.00 0.43 0.00 0.00 52.55 52.65 1nwu s ASP 67 Cb -0.33 0.60 0.12 0.00 -0.30 0.00 0.00 42.92 43.01 1nwu s ASP 67 CO 0.42 -1.14 1.10 0.42 -0.17 0.00 0.00 175.17 175.80 1nwu s THR 68 N -3.96 2.72 -0.02 1.71 -4.23 -1.26 -0.49 115.64 110.12 1nwu s THR 68 Ca 0.16 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.86 1nwu s THR 68 Cb -0.01 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1nwu s THR 68 CO 0.05 -0.30 -0.10 1.87 -0.54 0.00 0.00 174.62 175.59 1nwu n TRP 69 N -3.91 0.00 -2.77 3.99 -0.00 -1.26 -4.30 117.44 109.18 1nwu n TRP 69 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.26 1nwu n TRP 69 Cb 0.54 -0.20 -0.04 0.00 -0.00 0.00 0.00 31.31 31.61 1nwu n TRP 69 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 1nwu s GLU 70 N -2.23 3.95 0.41 5.87 2.56 -1.26 -4.97 118.70 123.03 1nwu s GLU 70 Ca -0.10 0.76 0.08 0.00 0.00 0.00 0.00 54.97 55.72 1nwu s GLU 70 Cb 0.02 -2.29 0.89 0.00 2.00 0.00 0.00 34.13 34.75 1nwu s GLU 70 CO 0.13 -0.06 2.04 0.11 -0.56 0.00 0.00 175.26 176.92 1nwu h TRP 71 N 1.48 0.51 -0.39 5.30 5.08 -2.00 -2.80 115.95 123.13 1nwu h TRP 71 Ca -0.47 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.49 1nwu h TRP 71 Cb 1.18 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 27.16 1nwu h TRP 71 CO 0.62 0.30 0.01 0.27 -1.28 0.00 0.00 178.44 178.36 1nwu n ASN 72 N -4.47 4.52 -0.23 0.11 6.94 -1.26 -4.72 115.26 116.15 1nwu n ASN 72 Ca 0.05 -3.02 0.02 0.00 -0.02 0.00 0.00 54.58 51.60 1nwu n ASN 72 Cb 0.13 -0.60 0.13 0.00 -2.36 0.00 0.00 39.78 37.08 1nwu n ASN 72 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1nwu h ASP 73 N 2.55 0.28 -0.76 0.53 3.32 -1.89 -1.29 116.42 119.16 1nwu h ASP 73 Ca 0.02 0.08 0.14 0.00 0.02 0.00 0.00 57.03 57.29 1nwu h ASP 73 Cb 1.67 0.05 -0.09 0.00 0.22 0.00 0.00 39.33 41.18 1nwu h ASP 73 CO 0.34 0.15 0.32 0.58 -1.72 0.00 0.00 179.24 178.91 1nwu h VAL 74 N 0.46 0.68 0.03 -1.35 2.07 -1.85 0.99 116.25 117.27 1nwu h VAL 74 Ca 0.34 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 1nwu h VAL 74 Cb 0.44 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1nwu h VAL 74 CO -0.32 0.09 -0.01 0.74 0.02 0.00 0.00 177.57 178.08 1nwu h THR 75 N 0.48 1.14 -0.34 2.57 2.02 -1.64 -2.43 112.91 114.71 1nwu h THR 75 Ca 0.42 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1nwu h THR 75 Cb 0.61 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1nwu h THR 75 CO -0.39 0.14 0.05 -0.07 0.37 0.00 0.00 175.52 175.62 1nwu h LEU 76 N -0.27 0.47 -0.31 2.58 3.38 -0.21 -0.46 115.31 120.49 1nwu h LEU 76 Ca -0.00 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1nwu h LEU 76 Cb 0.25 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1nwu h LEU 76 CO 0.01 0.50 0.12 1.88 0.09 0.00 0.00 178.44 181.03 1nwu h TYR 77 N 0.50 0.22 -0.73 1.13 0.05 0.11 0.59 116.97 118.84 1nwu h TYR 77 Ca 0.11 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.86 1nwu h TYR 77 Cb 0.24 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 1nwu h TYR 77 CO 0.01 0.10 0.25 0.78 -1.05 0.00 0.00 178.16 178.25 1nwu h GLY 78 N 0.26 1.20 0.99 3.88 0.00 -0.89 0.39 103.07 108.90 1nwu h GLY 78 Ca 0.14 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.79 1nwu h GLY 78 CO -0.13 0.65 0.64 1.98 0.00 0.00 0.00 176.54 179.68 1nwu h MET 79 N 1.06 1.26 0.01 4.80 -1.53 -0.40 0.41 114.93 120.53 1nwu h MET 79 Ca 0.24 -0.08 -0.00 0.00 -3.44 0.00 0.00 59.70 56.42 1nwu h MET 79 Cb 0.27 -0.28 0.00 0.00 -0.55 0.00 0.00 31.60 31.04 1nwu h MET 79 CO -0.01 0.83 -0.00 1.25 0.14 0.00 0.00 176.91 179.12 1nwu h LEU 80 N 1.29 -0.01 -2.09 3.39 5.85 -0.47 -3.24 115.31 120.03 1nwu h LEU 80 Ca 0.36 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1nwu h LEU 80 Cb -0.13 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1nwu h LEU 80 CO -0.08 0.55 -0.01 0.78 -0.34 0.00 0.00 178.44 179.34 1nwu h ASN 81 N -0.57 0.00 0.09 1.25 2.35 -0.73 -2.03 115.58 115.95 1nwu h ASN 81 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1nwu h ASN 81 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1nwu h ASN 81 CO 0.00 0.01 -0.11 0.74 -1.65 0.00 0.00 177.43 176.42 1nwu h THR 82 N 0.00 1.10 -0.09 2.81 2.02 -0.94 -1.93 112.91 115.89 1nwu h THR 82 Ca -0.00 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.74 1nwu h THR 82 Cb 0.30 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1nwu h THR 82 CO 0.00 0.14 0.15 -0.07 0.37 0.00 0.00 175.52 176.11 1nwu h LEU 83 N 0.05 0.00 -0.30 2.58 3.38 -1.49 -1.11 115.31 118.42 1nwu h LEU 83 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1nwu h LEU 83 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1nwu h LEU 83 CO 0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.84 1nwu n LYS 84 N -3.52 0.18 -0.22 1.13 5.02 -0.72 -3.52 118.16 116.50 1nwu n LYS 84 Ca -0.01 0.28 -0.07 0.00 -2.02 0.00 0.00 58.31 56.50 1nwu n LYS 84 Cb 0.24 -1.77 0.03 0.00 -0.02 0.00 0.00 35.03 33.52 1nwu n LYS 84 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1nwu h ASN 85 N 0.00 0.82 0.05 4.39 2.35 -1.37 -2.81 115.58 119.01 1nwu h ASN 85 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1nwu h ASN 85 Cb 0.50 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1nwu h ASN 85 CO 0.00 0.73 -0.30 0.54 -1.65 0.00 0.00 177.43 176.75 1nwu n ARG 86 N -4.49 1.33 -3.34 0.81 1.74 -1.24 -4.54 116.66 106.92 1nwu n ARG 86 Ca 0.04 -1.01 -0.26 0.00 -0.77 0.00 0.00 57.85 55.85 1nwu n ARG 86 Cb 0.13 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 1nwu n ARG 86 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1nwu n ASN 87 N 0.05 -0.09 0.09 0.55 2.85 -1.08 -5.00 115.26 112.62 1nwu n ASN 87 Ca 0.12 -2.52 0.21 0.00 -0.11 0.00 0.00 54.58 52.27 1nwu n ASN 87 Cb 0.45 -0.59 0.73 0.00 1.24 0.00 0.00 39.78 41.60 1nwu n ASN 87 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1nwu h PRO 88 N 5.04 0.00 0.00 1.20 0.11 -1.74 -1.39 132.00 135.22 1nwu h PRO 88 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1nwu h PRO 88 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1nwu h PRO 88 CO 0.42 0.00 -0.00 -0.91 -0.21 0.00 0.00 178.00 177.30 1nwu h ASN 89 N 0.00 0.00 -2.75 -2.05 4.21 -1.94 -3.46 115.58 109.59 1nwu h ASN 89 Ca 0.20 -0.00 -0.53 0.00 1.21 0.00 0.00 56.30 57.18 1nwu h ASN 89 Cb 1.19 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.42 1nwu h ASN 89 CO -0.00 0.00 0.94 -0.22 -1.29 0.00 0.00 177.43 176.86 1nwu s LEU 90 N -5.37 4.37 0.09 1.61 2.96 -0.53 -4.95 118.68 116.85 1nwu s LEU 90 Ca 0.09 2.54 0.03 0.00 -0.22 0.00 0.00 54.13 56.56 1nwu s LEU 90 Cb 0.09 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 1nwu s LEU 90 CO 0.63 -0.86 0.10 -0.54 -1.32 0.00 0.00 176.35 174.36 1nwu s LYS 91 N 2.01 2.94 0.02 1.98 3.01 -0.59 -4.91 119.74 124.20 1nwu s LYS 91 Ca 0.72 -0.68 0.04 0.00 -1.01 0.00 0.00 55.97 55.04 1nwu s LYS 91 Cb -0.41 -2.75 -0.02 0.00 -1.01 0.00 0.00 37.83 33.64 1nwu s LYS 91 CO 0.32 0.56 -0.13 0.99 0.51 0.00 0.00 175.35 177.60 1nwu s THR 92 N -1.43 1.02 0.06 2.17 2.01 -1.26 -1.50 115.64 116.70 1nwu s THR 92 Ca 0.30 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1nwu s THR 92 Cb -0.12 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1nwu s THR 92 CO 0.23 0.07 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.41 1nwu s LEU 93 N -0.88 2.43 -0.17 4.42 1.02 -0.58 -0.05 118.68 124.87 1nwu s LEU 93 Ca 0.02 -0.86 -0.02 0.00 0.02 0.00 0.00 54.13 53.29 1nwu s LEU 93 Cb -0.07 0.03 -0.01 0.00 0.02 0.00 0.00 46.19 46.16 1nwu s LEU 93 CO 0.01 -0.45 -0.09 -0.22 0.02 0.00 0.00 176.35 175.62 1nwu s LEU 94 N -2.56 2.80 -0.11 1.79 2.96 -0.74 -0.46 118.68 122.36 1nwu s LEU 94 Ca 0.03 -0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 53.46 1nwu s LEU 94 Cb 0.02 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1nwu s LEU 94 CO -0.05 0.08 0.31 -0.55 -1.32 0.00 0.00 176.35 174.82 1nwu s SER 95 N 0.84 6.54 -0.14 3.68 0.15 0.10 -1.00 113.70 123.88 1nwu s SER 95 Ca -0.03 0.64 -0.01 0.00 0.70 0.00 0.00 55.95 57.26 1nwu s SER 95 Cb -0.15 -2.19 -0.01 0.00 -1.71 0.00 0.00 66.02 61.96 1nwu s SER 95 CO 0.01 0.21 -0.12 0.54 1.20 0.00 0.00 173.24 175.07 1nwu s VAL 96 N -0.20 3.11 0.00 4.45 0.11 0.00 0.42 120.40 128.29 1nwu s VAL 96 Ca 0.19 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1nwu s VAL 96 Cb -0.14 -2.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 1nwu s VAL 96 CO 0.07 0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 1nwu n GLY 97 N 3.60 0.17 0.00 6.54 0.00 -1.21 -1.01 105.19 113.28 1nwu n GLY 97 Ca -0.18 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1nwu n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nwu n GLY 98 N 0.00 1.31 0.37 -0.02 0.00 0.18 -4.32 105.19 102.71 1nwu n GLY 98 Ca 0.00 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.35 1nwu n GLY 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1nwu h TRP 99 N 0.00 0.99 -0.25 1.61 2.91 -1.90 -1.31 115.95 118.00 1nwu h TRP 99 Ca 0.00 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1nwu h TRP 99 Cb 0.00 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.34 1nwu h TRP 99 CO 0.00 0.29 0.01 0.09 -1.03 0.00 0.00 178.44 177.80 1nwu n ASN 100 N -4.66 2.99 -0.04 2.65 3.02 -1.26 -4.11 115.26 113.83 1nwu n ASN 100 Ca 0.21 -2.40 -0.21 0.00 -0.03 0.00 0.00 54.58 52.15 1nwu n ASN 100 Cb 0.52 -0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 38.98 1nwu n ASN 100 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1nwu h PHE 101 N 1.61 0.24 0.00 3.10 3.57 -1.42 -3.51 116.94 120.54 1nwu h PHE 101 Ca 0.01 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1nwu h PHE 101 Cb 1.14 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1nwu h PHE 101 CO 0.47 1.57 0.00 0.41 -2.23 0.00 0.00 178.31 178.53 1nwu n GLY 102 N 1.67 0.28 0.52 2.40 0.00 -1.26 -4.77 105.19 104.03 1nwu n GLY 102 Ca -0.29 -0.80 0.35 0.00 0.00 0.00 0.00 46.02 45.28 1nwu n GLY 102 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nwu h SER 103 N 0.00 0.12 0.05 1.61 4.64 -1.89 -0.88 113.55 117.19 1nwu h SER 103 Ca 0.00 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1nwu h SER 103 Cb 0.00 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1nwu h SER 103 CO 0.00 -0.00 -0.21 1.56 -0.87 0.00 0.00 176.83 177.30 1nwu h GLN 104 N 0.09 -0.36 -0.31 4.77 1.08 -1.93 0.14 115.11 118.59 1nwu h GLN 104 Ca 0.65 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.87 1nwu h GLN 104 Cb 2.34 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 29.84 1nwu h GLN 104 CO -0.11 -0.24 0.20 0.00 -0.95 0.00 0.00 178.83 177.73 1nwu h ARG 105 N -0.37 0.42 -0.99 1.46 3.08 -1.46 -2.23 114.38 114.29 1nwu h ARG 105 Ca 0.04 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1nwu h ARG 105 Cb 0.42 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 1nwu h ARG 105 CO -0.16 0.31 0.64 0.35 -1.07 0.00 0.00 179.97 180.04 1nwu h PHE 106 N 0.41 1.19 0.08 3.04 3.04 -1.37 -2.69 116.94 120.64 1nwu h PHE 106 Ca 0.11 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 1nwu h PHE 106 Cb -0.01 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.11 1nwu h PHE 106 CO -0.05 0.64 -0.04 1.03 -2.02 0.00 0.00 178.31 177.87 1nwu h SER 107 N 1.18 -0.09 -0.94 0.41 0.87 -0.24 -1.50 113.55 113.24 1nwu h SER 107 Ca 0.42 -0.03 0.12 0.00 -1.23 0.00 0.00 61.79 61.06 1nwu h SER 107 Cb 0.11 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 1nwu h SER 107 CO -0.16 -0.03 0.60 0.11 -0.53 0.00 0.00 176.83 176.82 1nwu h LYS 108 N -0.15 0.84 -0.13 2.24 1.57 -1.11 0.13 116.57 119.97 1nwu h LYS 108 Ca -0.01 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1nwu h LYS 108 Cb 0.12 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1nwu h LYS 108 CO 0.02 0.56 -0.34 0.82 -0.57 0.00 0.00 179.45 179.93 1nwu h ILE 109 N 0.87 1.37 0.00 1.86 2.04 -1.28 -2.75 117.51 119.62 1nwu h ILE 109 Ca 0.46 -1.64 -0.12 0.00 1.00 0.00 0.00 64.86 64.56 1nwu h ILE 109 Cb 0.54 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1nwu h ILE 109 CO -0.22 0.49 -0.58 0.00 0.00 0.00 0.00 178.15 177.84 1nwu h ALA 110 N 0.52 0.85 0.07 1.87 0.00 -0.79 -2.54 119.26 119.25 1nwu h ALA 110 Ca -0.01 -0.52 -0.25 0.00 0.00 0.00 0.00 54.91 54.13 1nwu h ALA 110 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1nwu h ALA 110 CO 0.07 0.72 -1.19 0.66 0.00 0.00 0.00 179.25 179.51 1nwu h SER 111 N 0.00 0.24 -3.19 0.00 4.64 -0.83 -3.44 113.55 110.97 1nwu h SER 111 Ca -0.01 -0.27 -0.58 0.00 -0.47 0.00 0.00 61.79 60.46 1nwu h SER 111 Cb 1.16 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 63.11 1nwu h SER 111 CO 0.07 1.21 0.80 0.21 -0.87 0.00 0.00 176.83 178.26 1nwu s ASN 112 N -6.93 7.01 0.30 4.97 3.84 -1.04 -4.94 114.94 118.16 1nwu s ASN 112 Ca -0.03 1.21 0.03 0.00 0.21 0.00 0.00 52.86 54.29 1nwu s ASN 112 Cb 0.08 -2.53 0.62 0.00 -0.55 0.00 0.00 41.25 38.87 1nwu s ASN 112 CO 0.85 -0.75 1.85 0.74 -2.79 0.00 0.00 177.10 177.00 1nwu h THR 113 N 5.57 0.91 -0.05 -5.21 2.02 -1.85 -0.30 112.91 114.01 1nwu h THR 113 Ca -0.20 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 1nwu h THR 113 Cb 1.06 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1nwu h THR 113 CO 1.00 0.17 -0.18 1.56 0.37 0.00 0.00 175.52 178.43 1nwu h GLN 114 N 0.92 0.22 -0.84 6.66 7.50 -1.92 -2.94 115.11 124.71 1nwu h GLN 114 Ca 0.47 -0.16 -0.01 0.00 0.50 0.00 0.00 58.65 59.45 1nwu h GLN 114 Cb 0.52 0.03 -0.04 0.00 0.05 0.00 0.00 27.48 28.04 1nwu h GLN 114 CO -0.24 0.79 0.48 0.77 -1.50 0.00 0.00 178.83 179.13 1nwu h SER 115 N -0.32 1.03 -0.69 1.46 0.02 -1.74 -1.64 113.55 111.67 1nwu h SER 115 Ca -0.01 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1nwu h SER 115 Cb 0.81 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1nwu h SER 115 CO 0.04 0.81 0.39 -0.09 -1.14 0.00 0.00 176.83 176.84 1nwu h ARG 116 N 1.16 0.95 -0.06 3.45 2.43 -0.61 -0.72 114.38 120.99 1nwu h ARG 116 Ca 0.30 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1nwu h ARG 116 Cb -0.00 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1nwu h ARG 116 CO -0.05 0.70 0.01 -0.09 -1.51 0.00 0.00 179.97 179.03 1nwu h ARG 117 N 0.94 0.10 -0.36 0.20 9.65 -1.26 -0.84 114.38 122.80 1nwu h ARG 117 Ca 0.24 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.16 1nwu h ARG 117 Cb 0.01 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.53 1nwu h ARG 117 CO -0.04 0.30 0.06 1.15 2.80 0.00 0.00 179.97 184.23 1nwu h THR 118 N -0.12 0.80 0.36 0.20 2.02 -1.12 0.52 112.91 115.57 1nwu h THR 118 Ca 0.02 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1nwu h THR 118 Cb 0.24 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1nwu h THR 118 CO 0.00 0.03 -0.19 0.15 0.37 0.00 0.00 175.52 175.88 1nwu h PHE 119 N 0.18 -0.49 -0.49 3.16 3.57 -0.09 -1.50 116.94 121.29 1nwu h PHE 119 Ca 0.17 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.71 1nwu h PHE 119 Cb 0.21 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1nwu h PHE 119 CO -0.20 -0.30 0.23 0.82 -2.23 0.00 0.00 178.31 176.63 1nwu h ILE 120 N -0.51 0.93 -0.61 1.41 2.04 -0.85 -2.21 117.51 117.72 1nwu h ILE 120 Ca -0.04 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1nwu h ILE 120 Cb 0.40 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1nwu h ILE 120 CO 0.07 0.08 0.28 0.50 0.00 0.00 0.00 178.15 179.08 1nwu h LYS 121 N 0.46 0.86 0.00 2.37 3.64 -0.79 -2.64 116.57 120.47 1nwu h LYS 121 Ca 0.22 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1nwu h LYS 121 Cb 0.15 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1nwu h LYS 121 CO -0.17 0.67 0.00 0.66 -2.27 0.00 0.00 179.45 178.34 1nwu h SER 122 N 0.86 0.00 0.41 4.20 4.64 -0.65 -3.37 113.55 119.63 1nwu h SER 122 Ca 0.21 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 1nwu h SER 122 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1nwu h SER 122 CO -0.03 0.00 -0.20 0.58 -0.87 0.00 0.00 176.83 176.32 1nwu h VAL 123 N 0.00 0.46 -0.41 0.95 2.07 -1.17 -3.06 116.25 115.09 1nwu h VAL 123 Ca 0.00 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.03 1nwu h VAL 123 Cb 0.55 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 1nwu h VAL 123 CO 0.00 0.08 -0.12 -0.65 0.02 0.00 0.00 177.57 176.90 1nwu h PRO 124 N -0.93 -0.02 -0.54 1.57 0.11 -1.73 -0.80 132.00 129.66 1nwu h PRO 124 Ca -0.06 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.11 1nwu h PRO 124 Cb 0.55 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.62 1nwu h PRO 124 CO 0.09 -0.01 0.27 -1.35 -0.21 0.00 0.00 178.00 176.79 1nwu h PRO 125 N -0.02 0.50 -0.50 1.05 0.11 -1.77 -1.18 132.00 130.19 1nwu h PRO 125 Ca 0.20 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.28 1nwu h PRO 125 Cb 0.32 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 1nwu h PRO 125 CO -0.43 0.33 0.33 0.35 -0.21 0.00 0.00 178.00 178.38 1nwu h PHE 126 N 0.52 0.63 -0.45 0.65 3.57 -1.29 0.33 116.94 120.91 1nwu h PHE 126 Ca 0.24 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 1nwu h PHE 126 Cb 0.16 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1nwu h PHE 126 CO -0.10 0.40 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.18 1nwu h LEU 127 N 0.68 0.88 -0.48 0.59 3.38 -0.81 -2.21 115.31 117.35 1nwu h LEU 127 Ca 0.19 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 1nwu h LEU 127 Cb -0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1nwu h LEU 127 CO -0.04 1.05 -0.20 0.03 0.09 0.00 0.00 178.44 179.36 1nwu h ARG 128 N 0.71 0.99 -0.27 1.13 2.47 -1.11 0.11 114.38 118.40 1nwu h ARG 128 Ca 0.11 -0.42 -0.02 0.00 -1.26 0.00 0.00 59.98 58.39 1nwu h ARG 128 Cb 0.67 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 1nwu h ARG 128 CO 0.05 1.09 0.08 1.15 0.56 0.00 0.00 179.97 182.90 1nwu h THR 129 N 0.84 1.12 -0.47 2.04 2.02 -0.84 -2.96 112.91 114.67 1nwu h THR 129 Ca 0.11 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1nwu h THR 129 Cb 0.78 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1nwu h THR 129 CO 0.06 0.15 0.00 1.41 0.37 0.00 0.00 175.52 177.52 1nwu n HIS 130 N -4.40 0.72 -1.38 3.16 8.25 -0.84 -4.99 115.22 115.74 1nwu n HIS 130 Ca 0.01 -0.54 -0.02 0.00 -0.26 0.00 0.00 57.72 56.91 1nwu n HIS 130 Cb 0.15 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1nwu n HIS 130 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nwu n GLY 131 N 0.79 0.47 3.87 -1.41 0.00 -0.59 -4.73 105.19 103.60 1nwu n GLY 131 Ca 0.17 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1nwu n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nwu s PHE 132 N -2.10 3.47 -1.94 1.61 0.08 0.27 -4.92 117.98 114.46 1nwu s PHE 132 Ca 0.00 0.84 0.25 0.00 0.12 0.00 0.00 56.93 58.15 1nwu s PHE 132 Cb 0.00 -2.23 0.51 0.00 -0.57 0.00 0.00 43.02 40.73 1nwu s PHE 132 CO 0.00 0.34 1.41 -0.25 -0.10 0.00 0.00 175.22 176.62 1nwu n ASP 133 N 0.12 1.45 0.00 1.36 8.00 0.93 -4.50 116.55 123.91 1nwu n ASP 133 Ca -0.02 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1nwu n ASP 133 Cb 0.52 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 1nwu n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nwu n GLY 134 N 1.36 -1.48 3.30 0.44 0.00 -1.09 -0.62 105.19 107.11 1nwu n GLY 134 Ca 0.12 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 1nwu n GLY 134 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nwu s LEU 135 N 0.00 2.05 -0.19 0.99 2.96 0.70 -1.79 118.68 123.40 1nwu s LEU 135 Ca 0.00 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1nwu s LEU 135 Cb 0.00 -1.33 0.00 0.00 0.50 0.00 0.00 46.19 45.36 1nwu s LEU 135 CO 0.00 0.32 -0.12 -0.62 -1.32 0.00 0.00 176.35 174.60 1nwu s ASP 136 N -0.60 3.78 -0.26 3.68 2.15 -0.17 -1.18 116.67 124.07 1nwu s ASP 136 Ca 0.10 -0.48 -0.19 0.00 0.43 0.00 0.00 52.55 52.40 1nwu s ASP 136 Cb -0.10 -1.61 -0.02 0.00 -0.30 0.00 0.00 42.92 40.89 1nwu s ASP 136 CO -0.01 0.03 0.58 -0.76 -0.17 0.00 0.00 175.17 174.84 1nwu s LEU 137 N 1.17 4.06 -0.57 -1.34 1.43 -0.17 -0.82 118.68 122.44 1nwu s LEU 137 Ca 0.02 0.64 0.06 0.00 -1.03 0.00 0.00 54.13 53.81 1nwu s LEU 137 Cb -0.14 -2.78 0.29 0.00 0.03 0.00 0.00 46.19 43.59 1nwu s LEU 137 CO -0.05 -0.33 0.79 0.00 0.23 0.00 0.00 176.35 176.99 1nwu n ALA 138 N 5.62 3.95 -2.74 4.21 0.00 -0.18 -1.21 120.51 130.16 1nwu n ALA 138 Ca -0.02 -4.50 -0.43 0.00 0.00 0.00 0.00 53.44 48.49 1nwu n ALA 138 Cb 0.49 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 1nwu n ALA 138 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1nwu s TRP 139 N -2.67 2.74 -0.60 0.00 -0.11 -1.26 -0.65 118.94 116.38 1nwu s TRP 139 Ca 0.42 -0.28 -0.04 0.00 1.22 0.00 0.00 56.10 57.42 1nwu s TRP 139 Cb 0.21 -4.15 0.16 0.00 -1.50 0.00 0.00 33.47 28.18 1nwu s TRP 139 CO -0.07 -1.49 0.43 -0.51 -4.62 0.00 0.00 176.95 170.70 1nwu s LEU 140 N 3.98 5.41 0.11 5.86 1.43 -1.26 -3.82 118.68 130.38 1nwu s LEU 140 Ca 0.26 -2.67 -0.08 0.00 -1.03 0.00 0.00 54.13 50.61 1nwu s LEU 140 Cb -0.15 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1nwu s LEU 140 CO 0.15 -0.43 0.20 -0.31 0.23 0.00 0.00 176.35 176.19 1nwu s TYR 141 N 0.21 0.25 0.82 0.29 1.51 -1.26 -4.25 117.35 114.92 1nwu s TYR 141 Ca 0.15 -0.67 -0.13 0.00 -1.01 0.00 0.00 57.07 55.41 1nwu s TYR 141 Cb -0.20 -0.08 0.07 0.00 -0.11 0.00 0.00 41.96 41.64 1nwu s TYR 141 CO -0.04 -0.59 1.08 -2.30 -1.11 0.00 0.00 175.55 172.60 1nwu n PRO 142 N -0.10 0.10 -2.11 -1.71 -0.02 -1.25 -4.86 135.00 125.05 1nwu n PRO 142 Ca -0.13 0.11 -0.12 0.00 -2.02 0.00 0.00 63.50 61.34 1nwu n PRO 142 Cb 0.63 -2.34 0.05 0.00 -0.02 0.00 0.00 33.50 31.81 1nwu n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nwu n GLY 143 N 0.69 1.70 0.22 -1.23 0.00 -1.26 -4.56 105.19 100.74 1nwu n GLY 143 Ca 0.13 -2.15 0.05 0.00 0.00 0.00 0.00 46.02 44.05 1nwu n GLY 143 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nwu h ARG 144 N 0.00 0.00 0.00 1.61 3.08 -1.94 -1.36 114.38 115.77 1nwu h ARG 144 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1nwu h ARG 144 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1nwu h ARG 144 CO 0.23 0.20 0.00 0.07 -1.07 0.00 0.00 179.97 179.40 1nwu h ARG 145 N 0.00 0.00 -0.14 0.04 -0.00 -1.92 -3.26 114.38 109.09 1nwu h ARG 145 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1nwu h ARG 145 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.33 1nwu h ARG 145 CO 0.03 0.00 0.00 -0.25 -0.00 0.00 0.00 179.97 179.75 1nwu n ASP 146 N -2.82 2.50 -0.15 0.08 8.00 -0.55 -4.69 116.55 118.92 1nwu n ASP 146 Ca 0.03 -1.72 -0.05 0.00 0.71 0.00 0.00 54.79 53.76 1nwu n ASP 146 Cb 0.41 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.43 1nwu n ASP 146 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1nwu h LYS 147 N 2.81 -0.16 -0.49 -1.24 3.64 -1.50 0.18 116.57 119.81 1nwu h LYS 147 Ca 0.00 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 1nwu h LYS 147 Cb 0.66 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1nwu h LYS 147 CO 0.00 -0.10 -0.14 1.96 -2.27 0.00 0.00 179.45 178.89 1nwu h GLN 148 N -0.16 0.97 -0.86 1.90 7.50 -1.86 -2.73 115.11 119.87 1nwu h GLN 148 Ca 0.21 -0.38 0.03 0.00 0.50 0.00 0.00 58.65 59.01 1nwu h GLN 148 Cb 0.50 -0.05 -0.05 0.00 0.05 0.00 0.00 27.48 27.93 1nwu h GLN 148 CO -0.56 1.05 0.56 0.45 -1.50 0.00 0.00 178.83 178.83 1nwu h HIS 149 N 0.83 1.05 -0.48 2.96 3.86 -1.61 -0.00 115.15 121.75 1nwu h HIS 149 Ca 0.12 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1nwu h HIS 149 Cb 0.71 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 1nwu h HIS 149 CO 0.05 0.60 0.29 0.35 0.86 0.00 0.00 177.93 180.08 1nwu h PHE 150 N 1.09 0.54 -0.30 2.45 3.57 -0.52 0.18 116.94 123.94 1nwu h PHE 150 Ca 0.34 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1nwu h PHE 150 Cb 0.00 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1nwu h PHE 150 CO -0.02 0.31 0.20 1.15 -2.23 0.00 0.00 178.31 177.72 1nwu h THR 151 N 0.57 1.09 -0.37 4.41 2.02 -1.02 -1.65 112.91 117.96 1nwu h THR 151 Ca 0.19 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1nwu h THR 151 Cb 0.02 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1nwu h THR 151 CO -0.09 0.08 0.20 0.74 0.37 0.00 0.00 175.52 176.82 1nwu h THR 152 N 0.41 1.15 -0.19 3.16 2.02 -0.48 -0.08 112.91 118.89 1nwu h THR 152 Ca 0.11 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 66.95 1nwu h THR 152 Cb -0.03 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1nwu h THR 152 CO -0.02 0.15 -0.11 0.25 0.37 0.00 0.00 175.52 176.16 1nwu h LEU 153 N 0.47 -0.35 -0.64 2.58 5.85 -0.42 0.87 115.31 123.67 1nwu h LEU 153 Ca 0.13 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1nwu h LEU 153 Cb 0.07 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1nwu h LEU 153 CO -0.02 -0.14 0.23 0.40 -0.34 0.00 0.00 178.44 178.57 1nwu h ILE 154 N -0.09 1.24 -0.15 4.05 2.04 -1.13 -0.46 117.51 123.01 1nwu h ILE 154 Ca 0.11 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1nwu h ILE 154 Cb 0.25 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1nwu h ILE 154 CO -0.25 0.31 0.07 0.50 0.00 0.00 0.00 178.15 178.77 1nwu h LYS 155 N 0.91 0.22 -0.04 2.37 3.64 -0.54 -2.32 116.57 120.81 1nwu h LYS 155 Ca 0.21 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1nwu h LYS 155 Cb 0.25 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1nwu h LYS 155 CO -0.01 0.29 -0.67 0.93 -2.27 0.00 0.00 179.45 177.72 1nwu h GLU 156 N 0.11 0.17 -0.52 1.90 5.08 -0.77 -2.41 114.58 118.14 1nwu h GLU 156 Ca 0.05 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1nwu h GLU 156 Cb 0.14 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1nwu h GLU 156 CO -0.01 0.78 0.03 1.98 -1.00 0.00 0.00 179.01 180.79 1nwu h MET 157 N 0.12 0.90 -0.50 2.33 4.05 -1.03 -1.48 114.93 119.32 1nwu h MET 157 Ca -0.01 -0.27 -0.07 0.00 -0.28 0.00 0.00 59.70 59.06 1nwu h MET 157 Cb 1.20 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.89 1nwu h MET 157 CO 0.10 0.91 0.03 -0.22 0.23 0.00 0.00 176.91 177.96 1nwu h LYS 158 N 0.78 0.82 -0.03 0.39 1.63 -1.38 -1.41 116.57 117.36 1nwu h LYS 158 Ca 0.15 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1nwu h LYS 158 Cb 0.48 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1nwu h LYS 158 CO 0.02 0.80 0.01 0.00 -3.45 0.00 0.00 179.45 176.84 1nwu h ALA 159 N 1.26 0.03 -0.55 5.00 0.00 -0.96 -0.99 119.26 123.06 1nwu h ALA 159 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1nwu h ALA 159 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1nwu h ALA 159 CO 0.02 -0.48 0.30 1.49 0.00 0.00 0.00 179.25 180.58 1nwu h GLU 160 N 0.03 0.56 -0.91 0.00 4.57 -0.97 -0.64 114.58 117.22 1nwu h GLU 160 Ca 0.01 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1nwu h GLU 160 Cb 0.01 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 1nwu h GLU 160 CO -0.02 0.37 0.59 0.74 -1.18 0.00 0.00 179.01 179.52 1nwu h PHE 161 N 0.58 1.16 -0.50 0.92 -1.00 -0.90 0.14 116.94 117.33 1nwu h PHE 161 Ca 0.23 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.97 1nwu h PHE 161 Cb 0.10 -0.39 -0.02 0.00 3.61 0.00 0.00 35.95 39.26 1nwu h PHE 161 CO -0.08 0.74 0.08 0.82 -1.61 0.00 0.00 178.31 178.25 1nwu h ILE 162 N 1.24 1.25 0.28 -0.55 2.04 -0.54 -2.69 117.51 118.54 1nwu h ILE 162 Ca 0.33 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1nwu h ILE 162 Cb -0.12 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1nwu h ILE 162 CO -0.07 0.33 -0.13 0.50 0.00 0.00 0.00 178.15 178.78 1nwu h LYS 163 N 0.71 -0.36 -0.52 2.37 3.64 -0.59 -0.36 116.57 121.45 1nwu h LYS 163 Ca 0.15 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.71 1nwu h LYS 163 Cb 0.40 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1nwu h LYS 163 CO 0.01 -0.16 0.44 1.49 -2.27 0.00 0.00 179.45 178.96 1nwu h GLU 164 N -0.49 0.00 -0.02 1.90 4.22 -0.68 -0.22 114.58 119.30 1nwu h GLU 164 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1nwu h GLU 164 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1nwu h GLU 164 CO 0.06 0.00 -0.27 0.00 -2.18 0.00 0.00 179.01 176.62 1nwu n ALA 165 N -2.50 3.07 -0.31 2.92 0.00 -1.02 -4.62 120.51 118.04 1nwu n ALA 165 Ca 0.10 -0.59 0.16 0.00 0.00 0.00 0.00 53.44 53.11 1nwu n ALA 165 Cb 0.66 -0.64 0.35 0.00 0.00 0.00 0.00 19.45 19.81 1nwu n ALA 165 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1nwu h GLN 166 N 2.48 0.20 -0.19 0.00 -0.00 0.75 0.13 115.11 118.48 1nwu h GLN 166 Ca 0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.69 1nwu h GLN 166 Cb 0.66 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 28.09 1nwu h GLN 166 CO 0.00 0.13 0.16 -1.00 -0.00 0.00 0.00 178.83 178.12 1nwu h PRO 167 N 0.21 0.00 0.00 0.06 0.13 -1.82 -3.44 132.00 127.14 1nwu h PRO 167 Ca 0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.74 1nwu h PRO 167 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1nwu h PRO 167 CO -0.67 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 177.51 1nwu n GLY 168 N -1.51 -0.22 3.90 1.56 0.00 0.41 -5.16 105.19 104.16 1nwu n GLY 168 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1nwu n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nwu s LYS 169 N 0.00 1.96 -0.57 1.61 1.02 -0.87 -4.97 119.74 117.92 1nwu s LYS 169 Ca 0.00 0.10 -0.28 0.00 0.02 0.00 0.00 55.97 55.81 1nwu s LYS 169 Cb 0.00 -1.96 0.03 0.00 -0.52 0.00 0.00 37.83 35.39 1nwu s LYS 169 CO 0.00 -1.59 1.17 0.21 -0.92 0.00 0.00 175.35 174.21 1nwu s LYS 170 N -5.57 3.52 0.22 1.68 2.20 -1.26 -4.89 119.74 115.64 1nwu s LYS 170 Ca 0.62 0.24 -0.31 0.00 -0.36 0.00 0.00 55.97 56.16 1nwu s LYS 170 Cb -0.11 -4.01 -0.15 0.00 -1.51 0.00 0.00 37.83 32.06 1nwu s LYS 170 CO 0.49 -1.63 1.13 0.94 -0.36 0.00 0.00 175.35 175.92 1nwu n GLN 171 N 8.30 1.34 -2.11 4.03 7.27 -1.26 -4.92 117.38 130.02 1nwu n GLN 171 Ca 0.08 0.47 -0.38 0.00 0.07 0.00 0.00 57.00 57.25 1nwu n GLN 171 Cb 0.49 -1.94 0.00 0.00 2.41 0.00 0.00 30.24 31.20 1nwu n GLN 171 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1nwu s LEU 172 N 0.53 4.03 0.24 1.69 1.43 -1.26 -4.98 118.68 120.35 1nwu s LEU 172 Ca 0.67 2.49 -0.13 0.00 -1.03 0.00 0.00 54.13 56.12 1nwu s LEU 172 Cb -0.77 -4.16 -0.08 0.00 0.03 0.00 0.00 46.19 41.21 1nwu s LEU 172 CO 0.55 -1.04 0.62 -0.76 0.23 0.00 0.00 176.35 175.95 1nwu s LEU 173 N -2.98 4.20 -0.11 1.79 1.43 0.21 -4.93 118.68 118.30 1nwu s LEU 173 Ca 0.64 1.12 -0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1nwu s LEU 173 Cb -0.33 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.22 1nwu s LEU 173 CO 0.41 -0.06 -0.07 -0.22 0.23 0.00 0.00 176.35 176.64 1nwu s LEU 174 N -2.57 1.15 0.37 1.79 2.96 -1.26 -0.21 118.68 120.91 1nwu s LEU 174 Ca 0.47 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 1nwu s LEU 174 Cb -0.12 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 1nwu s LEU 174 CO 0.20 -0.12 0.11 -0.94 -1.32 0.00 0.00 176.35 174.27 1nwu s SER 175 N 1.67 2.52 -0.15 3.68 1.04 -0.32 -0.07 113.70 122.08 1nwu s SER 175 Ca 0.04 -1.57 -0.12 0.00 0.48 0.00 0.00 55.95 54.78 1nwu s SER 175 Cb -0.13 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.35 1nwu s SER 175 CO -0.07 -0.82 0.38 0.00 0.98 0.00 0.00 173.24 173.71 1nwu s ALA 176 N -3.29 -0.96 -0.31 5.32 0.00 -1.16 -1.00 121.76 120.37 1nwu s ALA 176 Ca 0.29 1.16 -0.15 0.00 0.00 0.00 0.00 51.96 53.26 1nwu s ALA 176 Cb 0.05 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1nwu s ALA 176 CO 0.15 -0.20 0.36 0.00 0.00 0.00 0.00 175.76 176.07 1nwu s ALA 177 N 0.46 3.52 0.12 0.00 0.00 -0.35 -0.82 121.76 124.70 1nwu s ALA 177 Ca -0.02 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 50.96 1nwu s ALA 177 Cb -0.04 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1nwu s ALA 177 CO -0.02 -0.89 -0.09 -0.51 0.00 0.00 0.00 175.76 174.25 1nwu s LEU 178 N 2.03 3.06 0.59 0.00 1.43 0.71 -4.61 118.68 121.89 1nwu s LEU 178 Ca 0.13 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.62 1nwu s LEU 178 Cb -0.16 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1nwu s LEU 178 CO 0.11 0.16 1.24 -0.55 0.23 0.00 0.00 176.35 177.54 1nwu s SER 179 N -2.37 5.16 0.00 2.29 0.15 -1.26 -0.80 113.70 116.87 1nwu s SER 179 Ca 0.22 2.47 0.21 0.00 0.70 0.00 0.00 55.95 59.56 1nwu s SER 179 Cb -0.11 -2.61 0.26 0.00 -1.71 0.00 0.00 66.02 61.86 1nwu s SER 179 CO 0.14 -1.62 1.25 0.00 1.20 0.00 0.00 173.24 174.21 1nwu n ALA 180 N -1.51 2.44 -2.68 5.45 0.00 -1.25 -4.63 120.51 118.33 1nwu n ALA 180 Ca 0.13 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 1nwu n ALA 180 Cb 0.49 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 1nwu n ALA 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nwu s GLY 181 N -1.62 2.31 0.21 0.00 0.00 -1.26 -4.72 107.32 102.24 1nwu s GLY 181 Ca 0.29 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 45.12 1nwu s GLY 181 CO 0.28 1.72 1.69 1.70 0.00 0.00 0.00 173.10 178.48 1nwu h LYS 182 N 7.14 0.18 -0.25 2.90 3.64 -1.92 0.66 116.57 128.91 1nwu h LYS 182 Ca -0.32 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.08 1nwu h LYS 182 Cb 1.15 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1nwu h LYS 182 CO 0.83 0.12 0.06 0.28 -2.27 0.00 0.00 179.45 178.46 1nwu h VAL 183 N 0.18 0.89 -0.46 2.00 2.07 -1.99 0.35 116.25 119.29 1nwu h VAL 183 Ca 0.31 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.72 1nwu h VAL 183 Cb 0.47 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1nwu h VAL 183 CO -0.45 0.03 0.09 0.74 0.02 0.00 0.00 177.57 178.00 1nwu h THR 184 N 0.16 1.24 -0.37 2.57 2.02 -1.82 -2.16 112.91 114.55 1nwu h THR 184 Ca 0.12 -0.88 0.02 0.00 0.77 0.00 0.00 66.41 66.43 1nwu h THR 184 Cb 0.11 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1nwu h THR 184 CO -0.15 0.31 0.20 0.40 0.37 0.00 0.00 175.52 176.65 1nwu h ILE 185 N 0.63 1.01 -0.34 3.11 2.04 -0.53 0.23 117.51 123.66 1nwu h ILE 185 Ca 0.14 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 1nwu h ILE 185 Cb 0.37 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1nwu h ILE 185 CO 0.01 0.07 -0.07 0.44 0.00 0.00 0.00 178.15 178.60 1nwu h ASP 186 N 0.40 0.54 0.58 1.72 3.32 -0.78 -2.57 116.42 119.62 1nwu h ASP 186 Ca 0.15 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 1nwu h ASP 186 Cb 0.04 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1nwu h ASP 186 CO -0.09 0.65 -1.52 -1.54 -1.72 0.00 0.00 179.24 175.02 1nwu n SER 187 N -4.22 0.63 -0.09 6.45 3.41 -0.82 -4.65 113.62 114.32 1nwu n SER 187 Ca 0.01 0.27 -0.11 0.00 -0.26 0.00 0.00 58.87 58.78 1nwu n SER 187 Cb 0.30 0.59 -0.12 0.00 -0.26 0.00 0.00 64.21 64.72 1nwu n SER 187 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1nwu n SER 188 N -2.73 1.35 -4.58 4.04 7.64 0.80 -3.57 113.62 116.56 1nwu n SER 188 Ca -0.09 -0.04 -0.31 0.00 1.01 0.00 0.00 58.87 59.43 1nwu n SER 188 Cb 0.77 0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 64.32 1nwu n SER 188 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1nwu s TYR 189 N -2.42 2.81 -0.85 1.43 2.02 -0.97 -4.18 117.35 115.18 1nwu s TYR 189 Ca -0.16 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.44 1nwu s TYR 189 Cb 0.06 -1.53 0.25 0.00 -0.40 0.00 0.00 41.96 40.34 1nwu s TYR 189 CO 0.63 0.38 0.91 -3.47 -1.57 0.00 0.00 175.55 172.43 1nwu n ASP 190 N 1.22 4.49 -0.32 2.29 -0.08 -1.26 -4.79 116.55 118.10 1nwu n ASP 190 Ca -0.15 -3.30 -0.00 0.00 -1.51 0.00 0.00 54.79 49.83 1nwu n ASP 190 Cb 0.52 -0.96 0.06 0.00 2.34 0.00 0.00 41.12 43.08 1nwu n ASP 190 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1nwu h ILE 191 N 3.65 0.07 -0.48 5.18 1.08 -1.92 -1.64 117.51 123.45 1nwu h ILE 191 Ca 0.18 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.72 1nwu h ILE 191 Cb 0.72 0.07 -0.06 0.00 -3.07 0.00 0.00 36.82 34.48 1nwu h ILE 191 CO 0.95 0.00 0.16 0.00 -0.69 0.00 0.00 178.15 178.57 1nwu h ALA 192 N 1.44 0.58 0.12 1.87 0.00 -1.79 -1.37 119.26 120.11 1nwu h ALA 192 Ca 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1nwu h ALA 192 Cb 0.60 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1nwu h ALA 192 CO -0.90 -0.23 -0.06 -0.22 0.00 0.00 0.00 179.25 177.84 1nwu h LYS 193 N 0.33 -0.15 0.00 0.00 1.63 -1.68 -3.28 116.57 113.41 1nwu h LYS 193 Ca 0.23 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.97 1nwu h LYS 193 Cb 0.24 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1nwu h LYS 193 CO -0.24 0.19 -0.31 -0.84 -3.45 0.00 0.00 179.45 174.80 1nwu h ILE 194 N -0.52 0.85 -0.01 2.00 3.07 -1.36 -2.99 117.51 118.55 1nwu h ILE 194 Ca -0.02 -1.24 0.00 0.00 1.55 0.00 0.00 64.86 65.15 1nwu h ILE 194 Cb 0.42 1.75 -0.00 0.00 -0.27 0.00 0.00 36.82 38.72 1nwu h ILE 194 CO 0.03 0.30 0.01 0.28 -1.05 0.00 0.00 178.15 177.72 1nwu h SER 195 N 0.00 0.00 -0.40 2.16 0.02 -1.30 -1.99 113.55 112.03 1nwu h SER 195 Ca -0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 1nwu h SER 195 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1nwu h SER 195 CO 0.04 0.00 -0.25 1.56 -1.14 0.00 0.00 176.83 177.04 1nwu h GLN 196 N 0.00 0.92 0.00 3.45 4.20 -1.63 -3.29 115.11 118.76 1nwu h GLN 196 Ca 0.01 -0.40 -0.10 0.00 0.06 0.00 0.00 58.65 58.21 1nwu h GLN 196 Cb 0.02 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1nwu h GLN 196 CO -0.00 1.06 -0.93 0.45 -0.67 0.00 0.00 178.83 178.74 1nwu h HIS 197 N 0.79 0.00 -3.75 2.96 3.86 -1.56 -3.47 115.15 113.98 1nwu h HIS 197 Ca 0.10 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.82 1nwu h HIS 197 Cb 0.81 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1nwu h HIS 197 CO 0.05 0.40 0.23 -0.51 0.86 0.00 0.00 177.93 178.95 1nwu s LEU 198 N -5.95 4.30 0.25 2.43 1.43 -0.80 -4.90 118.68 115.44 1nwu s LEU 198 Ca 0.01 1.61 0.14 0.00 -1.03 0.00 0.00 54.13 54.85 1nwu s LEU 198 Cb 0.08 -3.87 0.06 0.00 0.03 0.00 0.00 46.19 42.49 1nwu s LEU 198 CO 0.77 -0.05 1.43 0.44 0.23 0.00 0.00 176.35 179.18 1nwu h ASP 199 N 3.15 0.00 -3.91 2.29 3.32 -0.80 -3.47 116.42 116.99 1nwu h ASP 199 Ca -0.47 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.71 1nwu h ASP 199 Cb 1.19 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.51 1nwu h ASP 199 CO 0.65 0.60 0.66 0.72 -1.72 0.00 0.00 179.24 180.14 1nwu s PHE 200 N -2.96 -0.28 -0.12 4.55 -0.12 -1.24 -4.84 117.98 112.97 1nwu s PHE 200 Ca 0.03 0.44 0.01 0.00 -0.05 0.00 0.00 56.93 57.37 1nwu s PHE 200 Cb 0.08 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 42.93 1nwu s PHE 200 CO 0.76 -0.27 -0.16 0.42 -0.05 0.00 0.00 175.22 175.92 1nwu s ILE 201 N -1.26 2.80 -0.32 -4.49 1.01 0.85 -2.97 121.20 116.82 1nwu s ILE 201 Ca 0.02 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 1nwu s ILE 201 Cb -0.01 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1nwu s ILE 201 CO -0.02 0.54 0.19 -0.44 0.00 0.00 0.00 174.94 175.21 1nwu s SER 202 N 0.30 5.79 -0.20 3.58 0.01 -0.00 -0.34 113.70 122.84 1nwu s SER 202 Ca -0.12 -0.48 -0.17 0.00 1.31 0.00 0.00 55.95 56.49 1nwu s SER 202 Cb -0.16 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1nwu s SER 202 CO 0.06 -0.21 0.47 -0.51 0.41 0.00 0.00 173.24 173.45 1nwu s ILE 203 N 1.66 5.15 -1.38 1.44 2.07 -0.49 -0.21 121.20 129.45 1nwu s ILE 203 Ca 0.05 0.85 -0.15 0.00 -1.41 0.00 0.00 60.65 59.99 1nwu s ILE 203 Cb -0.17 -3.79 0.07 0.00 0.13 0.00 0.00 42.46 38.70 1nwu s ILE 203 CO 0.08 0.21 1.99 0.23 -1.91 0.00 0.00 174.94 175.54 1nwu n MET 204 N 4.64 3.07 -1.52 3.50 2.81 0.02 -1.06 117.12 128.58 1nwu n MET 204 Ca -0.06 -2.98 -0.40 0.00 -1.81 0.00 0.00 57.70 52.44 1nwu n MET 204 Cb 0.51 -3.31 -0.01 0.00 -0.71 0.00 0.00 33.22 29.70 1nwu n MET 204 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1nwu n THR 205 N 5.31 3.52 -3.49 2.03 -2.24 -1.26 -3.77 114.28 114.38 1nwu n THR 205 Ca 0.49 -2.71 -0.03 0.00 -2.27 0.00 0.00 64.05 59.53 1nwu n THR 205 Cb 0.41 -2.57 0.01 0.00 -2.10 0.00 0.00 70.33 66.09 1nwu n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nwu n TYR 206 N 5.43 -1.43 -2.73 4.78 0.18 -1.26 -4.75 117.16 117.38 1nwu n TYR 206 Ca 0.59 -0.82 -0.21 0.00 1.88 0.00 0.00 57.90 59.34 1nwu n TYR 206 Cb 0.34 0.41 0.01 0.00 -0.38 0.00 0.00 39.34 39.71 1nwu n TYR 206 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1nwu n ASP 207 N -1.15 -5.60 0.05 9.48 8.00 -0.60 -4.88 116.55 121.85 1nwu n ASP 207 Ca -0.03 -0.13 0.13 0.00 0.71 0.00 0.00 54.79 55.47 1nwu n ASP 207 Cb 0.29 -4.60 0.49 0.00 -0.02 0.00 0.00 41.12 37.28 1nwu n ASP 207 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1nwu n PHE 208 N -4.13 0.42 -3.50 1.24 3.72 0.03 -4.68 117.46 110.56 1nwu n PHE 208 Ca -0.16 0.12 -0.29 0.00 -0.05 0.00 0.00 57.45 57.07 1nwu n PHE 208 Cb 0.64 -0.68 -0.13 0.00 -0.94 0.00 0.00 39.48 38.37 1nwu n PHE 208 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1nwu s HIS 209 N -3.05 0.56 0.69 1.38 2.46 -1.26 -4.94 115.29 111.13 1nwu s HIS 209 Ca 0.12 -1.31 -0.11 0.00 0.47 0.00 0.00 55.06 54.22 1nwu s HIS 209 Cb 0.16 -0.92 0.01 0.00 -0.13 0.00 0.00 32.58 31.70 1nwu s HIS 209 CO 0.57 -0.83 1.06 0.20 -2.47 0.00 0.00 174.74 173.28 1nwu s GLY 210 N 1.50 1.74 0.53 1.59 0.00 -1.26 -4.71 107.32 106.71 1nwu s GLY 210 Ca 0.14 0.15 0.27 0.00 0.00 0.00 0.00 44.72 45.29 1nwu s GLY 210 CO -0.15 0.47 2.08 0.00 0.00 0.00 0.00 173.10 175.49 1nwu h ALA 211 N -0.58 1.30 -0.39 3.20 0.00 -1.91 -2.34 119.26 118.53 1nwu h ALA 211 Ca -0.44 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.43 1nwu h ALA 211 Cb 1.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1nwu h ALA 211 CO 0.56 0.14 0.27 0.11 0.00 0.00 0.00 179.25 180.33 1nwu h TRP 212 N 0.00 0.26 0.00 0.00 5.08 -1.94 -0.57 115.95 118.78 1nwu h TRP 212 Ca -0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1nwu h TRP 212 Cb 0.32 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.39 1nwu h TRP 212 CO 0.00 0.14 0.08 0.54 -1.28 0.00 0.00 178.44 177.92 1nwu n ARG 213 N -4.47 0.08 -0.93 0.12 1.74 -0.88 -4.81 116.66 107.50 1nwu n ARG 213 Ca 0.05 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 1nwu n ARG 213 Cb 0.27 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1nwu n ARG 213 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nwu n GLY 214 N -1.35 0.51 3.16 -0.13 0.00 -0.22 -4.99 105.19 102.18 1nwu n GLY 214 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1nwu n GLY 214 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwu s THR 215 N -2.36 0.12 0.41 2.61 -4.23 -1.26 -3.42 115.64 107.52 1nwu s THR 215 Ca 0.00 -1.81 -0.23 0.00 -1.18 0.00 0.00 61.69 58.47 1nwu s THR 215 Cb 0.00 -1.91 -0.09 0.00 1.34 0.00 0.00 72.50 71.84 1nwu s THR 215 CO 0.00 -0.54 1.05 0.42 -0.54 0.00 0.00 174.62 175.01 1nwu s THR 216 N -4.01 3.72 -0.21 3.99 -4.23 -0.10 -4.87 115.64 109.93 1nwu s THR 216 Ca 0.20 1.28 -0.28 0.00 -1.18 0.00 0.00 61.69 61.71 1nwu s THR 216 Cb 0.07 -3.64 0.12 0.00 1.34 0.00 0.00 72.50 70.39 1nwu s THR 216 CO -0.01 -0.03 0.98 -0.83 -0.54 0.00 0.00 174.62 174.19 1nwu s GLY 217 N -1.62 -0.25 0.03 3.99 0.00 -1.26 -0.62 107.32 107.59 1nwu s GLY 217 Ca 0.59 2.28 -0.30 0.00 0.00 0.00 0.00 44.72 47.29 1nwu s GLY 217 CO 0.26 1.43 1.01 -1.58 0.00 0.00 0.00 173.10 174.22 1nwu s HIS 218 N -0.43 3.66 -1.51 1.90 5.65 -1.26 -4.77 115.29 118.53 1nwu s HIS 218 Ca -0.00 1.67 0.30 0.00 0.25 0.00 0.00 55.06 57.28 1nwu s HIS 218 Cb -0.03 -3.15 1.57 0.00 -1.18 0.00 0.00 32.58 29.80 1nwu s HIS 218 CO -0.01 -0.13 2.07 -2.39 -0.65 0.00 0.00 174.74 173.63 1nwu n HIS 219 N 3.64 0.00 -2.92 3.88 -0.00 -1.26 -4.21 115.22 114.35 1nwu n HIS 219 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.65 1nwu n HIS 219 Cb 0.50 -0.24 0.03 0.00 -0.00 0.00 0.00 29.99 30.28 1nwu n HIS 219 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nwu n SER 220 N -1.24 -0.38 -4.79 4.39 2.88 -1.26 -0.79 113.62 112.43 1nwu n SER 220 Ca 0.16 -3.13 -0.35 0.00 -1.33 0.00 0.00 58.87 54.22 1nwu n SER 220 Cb 0.22 0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 1nwu n SER 220 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1nwu s PRO 221 N -1.40 3.76 -0.02 -1.46 0.04 -1.26 -4.88 135.00 129.78 1nwu s PRO 221 Ca 0.31 1.45 -0.22 0.00 0.04 0.00 0.00 61.00 62.58 1nwu s PRO 221 Cb 0.35 -2.15 -0.24 0.00 0.04 0.00 0.00 34.50 32.50 1nwu s PRO 221 CO -0.05 -0.48 1.06 1.25 0.04 0.00 0.00 177.00 178.81 1nwu h LEU 222 N 1.64 0.41 -9.42 -3.56 5.85 -1.55 -0.66 115.31 108.02 1nwu h LEU 222 Ca -0.49 -0.78 -0.58 0.00 0.84 0.00 0.00 57.88 56.87 1nwu h LEU 222 Cb 1.23 -0.13 -0.13 0.00 0.37 0.00 0.00 40.66 42.00 1nwu h LEU 222 CO 0.59 1.13 -0.64 -0.36 -0.34 0.00 0.00 178.44 178.82 1nwu s PHE 223 N -3.14 2.29 0.22 1.25 0.08 -1.23 -0.13 117.98 117.32 1nwu s PHE 223 Ca -0.14 -0.65 -0.09 0.00 0.12 0.00 0.00 56.93 56.17 1nwu s PHE 223 Cb 0.02 -1.44 0.18 0.00 -0.57 0.00 0.00 43.02 41.22 1nwu s PHE 223 CO 0.79 0.41 1.88 -0.09 -0.10 0.00 0.00 175.22 178.11 1nwu h ARG 224 N 2.01 1.10 0.00 0.44 2.43 -1.90 -3.39 114.38 115.07 1nwu h ARG 224 Ca -0.42 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1nwu h ARG 224 Cb 1.24 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1nwu h ARG 224 CO 0.73 0.75 0.00 0.41 -1.51 0.00 0.00 179.97 180.35 1nwu n GLY 225 N -1.28 -1.26 3.30 2.80 0.00 -1.25 -4.78 105.19 102.73 1nwu n GLY 225 Ca 0.08 -1.26 -0.59 0.00 0.00 0.00 0.00 46.02 44.25 1nwu n GLY 225 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nwu n GLN 226 N 0.00 0.13 0.15 1.61 7.27 -1.26 -4.75 117.38 120.53 1nwu n GLN 226 Ca 0.00 0.03 0.17 0.00 0.07 0.00 0.00 57.00 57.28 1nwu n GLN 226 Cb 0.00 -1.61 0.77 0.00 2.41 0.00 0.00 30.24 31.81 1nwu n GLN 226 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1nwu h GLU 227 N 9.14 0.00 -0.36 3.69 4.22 -1.98 -1.68 114.58 127.61 1nwu h GLU 227 Ca -0.14 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.14 1nwu h GLU 227 Cb 1.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 1nwu h GLU 227 CO 1.08 0.00 -0.42 -0.44 -2.18 0.00 0.00 179.01 177.05 1nwu h ASP 228 N 0.00 0.99 -0.47 1.04 3.32 -1.98 -3.32 116.42 115.99 1nwu h ASP 228 Ca 0.13 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1nwu h ASP 228 Cb 0.63 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1nwu h ASP 228 CO -0.00 1.27 0.00 0.00 -1.72 0.00 0.00 179.24 178.79 1nwu n ALA 229 N -2.55 2.50 -2.73 3.45 0.00 -0.63 -4.91 120.51 115.64 1nwu n ALA 229 Ca -0.03 -0.87 -0.36 0.00 0.00 0.00 0.00 53.44 52.18 1nwu n ALA 229 Cb 0.56 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 1nwu n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nwu s SER 230 N -0.96 5.99 0.59 0.00 1.04 -1.21 -4.87 113.70 114.27 1nwu s SER 230 Ca 0.32 0.11 0.37 0.00 0.48 0.00 0.00 55.95 57.23 1nwu s SER 230 Cb 0.17 -2.07 1.70 0.00 0.10 0.00 0.00 66.02 65.93 1nwu s SER 230 CO 0.21 0.10 2.11 -0.65 0.98 0.00 0.00 173.24 175.99 1nwu h PRO 231 N 7.23 0.00 -1.92 4.02 0.11 -1.93 -3.44 132.00 136.08 1nwu h PRO 231 Ca -0.38 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1nwu h PRO 231 Cb 1.17 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.06 1nwu h PRO 231 CO 0.68 0.01 0.21 0.34 -0.21 0.00 0.00 178.00 179.04 1nwu s ASP 232 N -5.56 -0.66 0.48 -2.05 2.15 -1.26 -5.05 116.67 104.72 1nwu s ASP 232 Ca -0.01 1.14 0.28 0.00 0.43 0.00 0.00 52.55 54.39 1nwu s ASP 232 Cb 0.10 1.11 0.87 0.00 -0.30 0.00 0.00 42.92 44.71 1nwu s ASP 232 CO 0.51 -0.32 1.80 0.08 -0.17 0.00 0.00 175.17 177.07 1nwu h ARG 233 N 4.30 0.00 0.00 4.34 0.11 -1.98 -3.28 114.38 117.86 1nwu h ARG 233 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1nwu h ARG 233 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1nwu h ARG 233 CO 0.15 0.06 -0.57 0.74 0.10 0.00 0.00 179.97 180.45 1nwu h PHE 234 N 0.00 0.00 -0.03 4.08 0.04 -2.00 -3.42 116.94 115.62 1nwu h PHE 234 Ca -0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.15 1nwu h PHE 234 Cb 0.76 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.93 1nwu h PHE 234 CO 0.00 0.00 3.33 0.43 -0.60 0.00 0.00 178.31 181.47 1nwu n SER 235 N -2.39 8.35 -3.59 2.17 7.64 -1.24 -4.49 113.62 120.07 1nwu n SER 235 Ca 0.03 -2.57 -0.12 0.00 1.01 0.00 0.00 58.87 57.21 1nwu n SER 235 Cb 0.48 -1.54 -0.05 0.00 -1.01 0.00 0.00 64.21 62.09 1nwu n SER 235 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nwu s ASN 236 N 2.11 -0.36 0.12 6.43 2.20 -1.26 -4.77 114.94 119.41 1nwu s ASN 236 Ca 0.69 -0.03 -0.24 0.00 -0.94 0.00 0.00 52.86 52.34 1nwu s ASN 236 Cb 0.20 0.49 -0.04 0.00 -2.00 0.00 0.00 41.25 39.89 1nwu s ASN 236 CO -0.05 -0.78 1.66 0.74 -2.94 0.00 0.00 177.10 175.72 1nwu h THR 237 N 2.61 0.53 -0.53 0.54 2.02 -1.14 -2.79 112.91 114.16 1nwu h THR 237 Ca -0.32 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.96 1nwu h THR 237 Cb 1.24 0.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.10 1nwu h THR 237 CO 0.43 0.00 0.03 -0.78 0.37 0.00 0.00 175.52 175.57 1nwu h ASP 238 N -0.29 -0.16 -0.53 4.18 3.58 -0.77 -1.30 116.42 121.14 1nwu h ASP 238 Ca 0.07 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 1nwu h ASP 238 Cb 0.38 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1nwu h ASP 238 CO -0.21 -0.05 0.29 0.22 -2.88 0.00 0.00 179.24 176.61 1nwu h TYR 239 N 0.15 0.72 -0.43 0.28 3.20 -1.78 -2.02 116.97 117.08 1nwu h TYR 239 Ca 0.27 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 1nwu h TYR 239 Cb 0.41 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1nwu h TYR 239 CO -0.30 0.53 0.23 0.00 -1.64 0.00 0.00 178.16 176.98 1nwu h ALA 240 N 1.13 0.55 0.27 1.82 0.00 -1.11 0.16 119.26 122.09 1nwu h ALA 240 Ca 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nwu h ALA 240 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1nwu h ALA 240 CO -0.03 0.09 -0.13 0.28 0.00 0.00 0.00 179.25 179.45 1nwu h VAL 241 N 0.56 0.75 -0.35 0.00 2.07 -1.16 -1.09 116.25 117.04 1nwu h VAL 241 Ca 0.15 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1nwu h VAL 241 Cb 0.06 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1nwu h VAL 241 CO -0.02 0.04 0.12 1.23 0.02 0.00 0.00 177.57 178.95 1nwu h GLY 242 N -0.46 0.44 0.73 2.17 0.00 -1.27 -1.17 103.07 103.51 1nwu h GLY 242 Ca -0.04 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1nwu h GLY 242 CO 0.06 0.03 0.09 -1.82 0.00 0.00 0.00 176.54 174.90 1nwu h TYR 243 N 0.26 0.16 -0.73 5.60 3.20 -0.52 -1.13 116.97 123.81 1nwu h TYR 243 Ca 0.16 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1nwu h TYR 243 Cb 0.13 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1nwu h TYR 243 CO -0.14 0.07 0.32 1.98 -1.64 0.00 0.00 178.16 178.74 1nwu h MET 244 N 0.22 1.07 -0.10 1.82 4.05 -0.86 -0.96 114.93 120.17 1nwu h MET 244 Ca 0.13 -0.18 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1nwu h MET 244 Cb 0.11 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 1nwu h MET 244 CO -0.14 0.86 -0.07 -0.07 0.23 0.00 0.00 176.91 177.71 1nwu h LEU 245 N 1.04 -0.24 -1.20 3.39 3.38 -0.75 -1.61 115.31 119.32 1nwu h LEU 245 Ca 0.25 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1nwu h LEU 245 Cb 0.17 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1nwu h LEU 245 CO -0.03 -0.10 0.00 0.08 0.09 0.00 0.00 178.44 178.48 1nwu h ARG 246 N -0.08 0.00 -0.00 1.13 0.11 -0.90 -0.87 114.38 113.77 1nwu h ARG 246 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1nwu h ARG 246 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1nwu h ARG 246 CO -0.15 0.00 -0.06 1.28 0.10 0.00 0.00 179.97 181.14 1nwu n LEU 247 N -2.67 0.08 0.00 0.08 4.77 -0.39 -4.91 117.00 113.96 1nwu n LEU 247 Ca 0.01 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1nwu n LEU 247 Cb 0.25 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1nwu n LEU 247 CO 0.23 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1nwu n GLY 248 N 1.44 1.40 3.64 -0.72 0.00 -0.33 -3.45 105.19 107.17 1nwu n GLY 248 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1nwu n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwu s ALA 249 N -2.00 3.62 0.28 4.61 0.00 -0.96 -4.53 121.76 122.79 1nwu s ALA 249 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 1nwu s ALA 249 Cb 0.00 -3.16 -0.11 0.00 0.00 0.00 0.00 23.12 19.85 1nwu s ALA 249 CO 0.00 -0.83 1.52 -2.14 0.00 0.00 0.00 175.76 174.31 1nwu s PRO 250 N 2.58 4.19 0.43 0.00 0.02 -1.26 -4.40 135.00 136.57 1nwu s PRO 250 Ca 0.32 2.45 0.15 0.00 0.02 0.00 0.00 61.00 63.94 1nwu s PRO 250 Cb -0.15 -3.06 1.05 0.00 0.02 0.00 0.00 34.50 32.36 1nwu s PRO 250 CO 0.08 -0.53 1.95 0.00 -0.33 0.00 0.00 177.00 178.18 1nwu h ALA 251 N 4.77 2.08 0.00 -1.55 0.00 -1.92 0.76 119.26 123.39 1nwu h ALA 251 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1nwu h ALA 251 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1nwu h ALA 251 CO 0.77 -0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 1nwu n SER 252 N -4.47 0.14 -0.26 0.00 3.41 -1.26 -1.36 113.62 109.81 1nwu n SER 252 Ca 0.12 0.54 0.03 0.00 -0.26 0.00 0.00 58.87 59.29 1nwu n SER 252 Cb 0.45 -0.56 0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1nwu n SER 252 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nwu n LYS 253 N -1.65 0.18 -3.62 4.33 5.02 0.23 -4.38 118.16 118.26 1nwu n LYS 253 Ca 0.03 -0.97 -0.37 0.00 -2.02 0.00 0.00 58.31 54.98 1nwu n LYS 253 Cb 0.17 -1.12 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 1nwu n LYS 253 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nwu s LEU 254 N -0.57 4.10 -0.16 -0.35 2.96 -0.99 -0.11 118.68 123.56 1nwu s LEU 254 Ca 0.08 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1nwu s LEU 254 Cb 0.05 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1nwu s LEU 254 CO 0.08 0.03 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.35 1nwu s VAL 255 N 1.23 3.16 -0.20 1.68 1.01 0.54 -0.54 120.40 127.28 1nwu s VAL 255 Ca 0.08 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1nwu s VAL 255 Cb -0.14 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1nwu s VAL 255 CO 0.06 0.50 0.63 -0.32 0.00 0.00 0.00 175.10 175.96 1nwu s MET 256 N 0.68 4.21 0.20 2.72 1.75 -0.32 -1.39 119.30 127.14 1nwu s MET 256 Ca -0.05 0.61 -0.30 0.00 -1.25 0.00 0.00 55.69 54.70 1nwu s MET 256 Cb -0.15 -3.58 -0.08 0.00 2.84 0.00 0.00 34.83 33.86 1nwu s MET 256 CO 0.02 -0.24 1.17 0.20 -0.65 0.00 0.00 175.02 175.51 1nwu s GLY 257 N 1.21 2.77 -0.06 2.11 0.00 -0.23 -0.35 107.32 112.77 1nwu s GLY 257 Ca 0.28 0.92 0.01 0.00 0.00 0.00 0.00 44.72 45.93 1nwu s GLY 257 CO 0.10 1.77 -0.06 -0.42 0.00 0.00 0.00 173.10 174.50 1nwu s ILE 258 N -0.23 0.71 0.22 0.90 1.01 0.11 -4.17 121.20 119.74 1nwu s ILE 258 Ca 0.51 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.77 1nwu s ILE 258 Cb -0.32 -0.73 -0.08 0.00 0.01 0.00 0.00 42.46 41.34 1nwu s ILE 258 CO 0.37 0.28 0.75 -2.16 0.00 0.00 0.00 174.94 174.18 1nwu s PRO 259 N 1.19 4.36 -0.17 2.79 0.04 -1.26 -2.61 135.00 139.33 1nwu s PRO 259 Ca -0.06 0.98 0.16 0.00 0.04 0.00 0.00 61.00 62.11 1nwu s PRO 259 Cb -0.14 -2.97 0.59 0.00 0.04 0.00 0.00 34.50 32.03 1nwu s PRO 259 CO -0.02 0.43 1.50 0.25 0.04 0.00 0.00 177.00 179.20 1nwu n THR 260 N 0.93 2.28 -4.23 1.26 -2.24 -0.56 -4.56 114.28 107.16 1nwu n THR 260 Ca -0.03 -1.67 -0.13 0.00 -2.27 0.00 0.00 64.05 59.95 1nwu n THR 260 Cb 0.50 -0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 1nwu n THR 260 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1nwu s PHE 261 N -2.62 1.17 0.33 4.78 -0.71 -1.26 -1.63 117.98 118.04 1nwu s PHE 261 Ca 0.44 -0.79 0.09 0.00 -1.04 0.00 0.00 56.93 55.63 1nwu s PHE 261 Cb 0.34 -0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 41.49 1nwu s PHE 261 CO 0.12 0.02 -0.03 0.20 -1.34 0.00 0.00 175.22 174.20 1nwu s GLY 262 N -3.13 2.05 -0.19 1.99 0.00 -0.09 -4.62 107.32 103.35 1nwu s GLY 262 Ca 0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 44.72 42.88 1nwu s GLY 262 CO -0.01 -1.92 -0.04 0.50 0.00 0.00 0.00 173.10 171.63 1nwu s ARG 263 N -3.68 3.52 0.23 2.90 1.81 -0.68 -2.42 118.95 120.64 1nwu s ARG 263 Ca 0.34 -0.58 0.07 0.00 -1.72 0.00 0.00 55.73 53.84 1nwu s ARG 263 Cb -0.00 -2.96 -0.04 0.00 -0.45 0.00 0.00 34.95 31.50 1nwu s ARG 263 CO 0.18 0.02 0.12 -1.54 -0.68 0.00 0.00 175.30 173.41 1nwu s SER 264 N 0.92 5.21 0.04 0.23 1.04 -0.84 -1.60 113.70 118.71 1nwu s SER 264 Ca -0.00 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 1nwu s SER 264 Cb -0.15 -1.24 -0.03 0.00 0.10 0.00 0.00 66.02 64.71 1nwu s SER 264 CO 0.01 -0.00 0.00 -0.36 0.98 0.00 0.00 173.24 173.88 1nwu s PHE 265 N -2.08 0.35 -0.27 5.02 0.08 0.84 -1.57 117.98 120.34 1nwu s PHE 265 Ca 0.32 -0.74 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 1nwu s PHE 265 Cb -0.08 -0.26 -0.05 0.00 -0.57 0.00 0.00 43.02 42.07 1nwu s PHE 265 CO 0.23 -0.31 0.18 0.99 -0.10 0.00 0.00 175.22 176.20 1nwu s THR 266 N -2.75 5.23 0.47 0.64 2.01 -0.26 -1.66 115.64 119.32 1nwu s THR 266 Ca -0.04 0.14 -0.22 0.00 0.31 0.00 0.00 61.69 61.88 1nwu s THR 266 Cb -0.00 -3.48 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 1nwu s THR 266 CO -0.06 0.27 1.15 -0.76 -0.69 0.00 0.00 174.62 174.53 1nwu s LEU 267 N 1.66 3.97 0.00 4.42 1.43 0.15 -0.93 118.68 129.37 1nwu s LEU 267 Ca 0.07 2.26 0.17 0.00 -1.03 0.00 0.00 54.13 55.60 1nwu s LEU 267 Cb -0.16 -4.30 0.07 0.00 0.03 0.00 0.00 46.19 41.83 1nwu s LEU 267 CO 0.10 -0.94 0.98 0.00 0.23 0.00 0.00 176.35 176.71 1nwu n ALA 268 N -0.61 2.83 -3.00 4.21 0.00 -0.62 -4.57 120.51 118.75 1nwu n ALA 268 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1nwu n ALA 268 Cb 0.49 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1nwu n ALA 268 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nwu n SER 269 N 0.47 0.00 0.07 0.00 3.41 -1.26 -5.00 113.62 111.31 1nwu n SER 269 Ca 0.09 -0.65 0.13 0.00 -0.26 0.00 0.00 58.87 58.18 1nwu n SER 269 Cb 0.40 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.82 1nwu n SER 269 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nwu n SER 270 N -0.95 0.54 -4.71 4.04 3.41 -1.26 -4.80 113.62 109.89 1nwu n SER 270 Ca 0.00 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 58.75 1nwu n SER 270 Cb 0.00 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.22 1nwu n SER 270 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nwu s GLU 271 N -3.09 4.37 0.00 4.33 2.02 -1.26 -4.93 118.70 120.14 1nwu s GLU 271 Ca 0.11 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.02 1nwu s GLU 271 Cb 0.14 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1nwu s GLU 271 CO 0.54 -0.36 0.82 0.25 0.02 0.00 0.00 175.26 176.53 1nwu n THR 272 N 3.97 0.67 -2.09 3.63 -2.24 -1.26 -4.72 114.28 112.23 1nwu n THR 272 Ca 0.10 -0.73 -0.17 0.00 -2.27 0.00 0.00 64.05 60.99 1nwu n THR 272 Cb 0.44 0.70 0.10 0.00 -2.10 0.00 0.00 70.33 69.47 1nwu n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nwu n GLY 273 N -0.33 -0.21 3.72 3.38 0.00 -1.26 -4.95 105.19 105.54 1nwu n GLY 273 Ca 0.00 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1nwu n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nwu s VAL 274 N -2.33 2.73 0.00 1.61 1.01 -1.26 -2.31 120.40 119.85 1nwu s VAL 274 Ca 0.45 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1nwu s VAL 274 Cb -0.02 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1nwu s VAL 274 CO 0.31 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1nwu n GLY 275 N 3.35 0.69 3.79 4.51 0.00 0.21 -4.94 105.19 112.80 1nwu n GLY 275 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1nwu n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwu s ALA 276 N -2.11 2.60 0.38 4.61 0.00 -0.98 -4.51 121.76 121.77 1nwu s ALA 276 Ca 0.00 0.47 -0.27 0.00 0.00 0.00 0.00 51.96 52.16 1nwu s ALA 276 Cb 0.00 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 1nwu s ALA 276 CO 0.00 -1.06 1.34 -2.14 0.00 0.00 0.00 175.76 173.90 1nwu s PRO 277 N -4.10 4.07 0.12 0.00 0.02 -1.26 -0.92 135.00 132.93 1nwu s PRO 277 Ca 0.65 2.25 0.04 0.00 0.02 0.00 0.00 61.00 63.96 1nwu s PRO 277 Cb -0.18 -2.87 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 1nwu s PRO 277 CO 0.40 -0.44 -0.10 0.96 -0.33 0.00 0.00 177.00 177.49 1nwu s ILE 278 N -1.20 1.00 -1.46 2.83 -4.36 -1.22 -1.59 121.20 115.20 1nwu s ILE 278 Ca 0.54 -1.86 0.18 0.00 -0.26 0.00 0.00 60.65 59.25 1nwu s ILE 278 Cb -0.40 -1.61 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 1nwu s ILE 278 CO 0.53 -0.68 0.87 -1.54 0.24 0.00 0.00 174.94 174.36 1nwu n SER 279 N 0.16 1.55 0.00 4.36 3.41 -0.11 -4.71 113.62 118.28 1nwu n SER 279 Ca -0.13 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1nwu n SER 279 Cb 0.59 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 1nwu n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nwu n GLY 280 N 1.25 -0.54 3.66 5.00 0.00 -1.25 -5.00 105.19 108.32 1nwu n GLY 280 Ca 0.07 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1nwu n GLY 280 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nwu s PRO 281 N -2.00 0.81 0.87 1.61 0.04 -1.26 -1.10 135.00 133.97 1nwu s PRO 281 Ca 0.00 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 1nwu s PRO 281 Cb 0.00 -1.74 0.11 0.00 0.04 0.00 0.00 34.50 32.91 1nwu s PRO 281 CO 0.00 -2.60 1.11 0.20 0.04 0.00 0.00 177.00 175.75 1nwu s GLY 282 N -3.08 1.60 0.23 0.56 0.00 -0.61 -3.33 107.32 102.69 1nwu s GLY 282 Ca 0.65 -0.32 -0.30 0.00 0.00 0.00 0.00 44.72 44.75 1nwu s GLY 282 CO 0.59 0.18 1.47 -0.42 0.00 0.00 0.00 173.10 174.92 1nwu s ILE 283 N -3.15 2.66 0.40 0.90 1.01 -1.26 -2.39 121.20 119.37 1nwu s ILE 283 Ca 0.63 0.53 -0.25 0.00 0.00 0.00 0.00 60.65 61.56 1nwu s ILE 283 Cb -0.15 -3.34 -0.11 0.00 0.01 0.00 0.00 42.46 38.87 1nwu s ILE 283 CO 0.55 0.08 1.01 -2.65 0.00 0.00 0.00 174.94 173.92 1nwu n PRO 284 N 2.70 1.36 -1.78 2.79 -0.02 -1.26 -4.68 135.00 134.10 1nwu n PRO 284 Ca 0.08 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 1nwu n PRO 284 Cb 0.40 -2.01 0.04 0.00 -0.02 0.00 0.00 33.50 31.91 1nwu n PRO 284 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1nwu s GLY 285 N -0.71 1.99 0.28 -1.23 0.00 -1.25 -4.83 107.32 101.57 1nwu s GLY 285 Ca 0.62 0.36 -0.04 0.00 0.00 0.00 0.00 44.72 45.67 1nwu s GLY 285 CO 0.57 0.69 1.95 3.21 0.00 0.00 0.00 173.10 179.53 1nwu h ARG 286 N -0.08 1.19 0.02 2.90 3.08 -1.96 -1.56 114.38 117.97 1nwu h ARG 286 Ca -0.46 -0.07 -0.38 0.00 0.07 0.00 0.00 59.98 59.14 1nwu h ARG 286 Cb 1.23 -0.27 -0.06 0.00 0.08 0.00 0.00 29.97 30.95 1nwu h ARG 286 CO 0.56 0.79 -2.38 1.19 -1.07 0.00 0.00 179.97 179.05 1nwu n PHE 287 N -4.40 0.21 0.14 3.04 3.01 -1.26 -4.51 117.46 113.69 1nwu n PHE 287 Ca 0.10 0.05 0.03 0.00 1.01 0.00 0.00 57.45 58.64 1nwu n PHE 287 Cb 0.02 -1.03 0.03 0.00 -0.01 0.00 0.00 39.48 38.49 1nwu n PHE 287 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1nwu h THR 288 N 0.01 0.75 -6.71 4.37 1.35 -1.94 -3.43 112.91 107.32 1nwu h THR 288 Ca -0.55 -2.09 -0.54 0.00 -0.55 0.00 0.00 66.41 62.68 1nwu h THR 288 Cb 1.96 2.34 -0.07 0.00 -1.73 0.00 0.00 68.15 70.66 1nwu h THR 288 CO -0.05 0.43 -0.94 0.29 -0.25 0.00 0.00 175.52 175.00 1nwu n LYS 289 N -3.18 -1.68 -3.51 4.72 5.02 -0.59 -4.89 118.16 114.05 1nwu n LYS 289 Ca 0.01 0.26 -0.20 0.00 -2.02 0.00 0.00 58.31 56.36 1nwu n LYS 289 Cb 0.73 -3.79 -0.13 0.00 -0.02 0.00 0.00 35.03 31.81 1nwu n LYS 289 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1nwu s GLU 290 N -6.87 0.18 0.14 1.97 2.12 -1.26 -4.91 118.70 110.07 1nwu s GLU 290 Ca 0.18 0.06 -0.34 0.00 0.36 0.00 0.00 54.97 55.23 1nwu s GLU 290 Cb -0.08 -1.27 -0.16 0.00 0.26 0.00 0.00 34.13 32.88 1nwu s GLU 290 CO 0.93 -0.72 1.31 0.00 -0.54 0.00 0.00 175.26 176.24 1nwu n ALA 291 N 5.31 -0.40 -0.29 6.30 0.00 -1.26 -1.40 120.51 128.77 1nwu n ALA 291 Ca -0.05 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1nwu n ALA 291 Cb 0.49 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1nwu n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwu n GLY 292 N 2.40 0.83 3.09 0.00 0.00 -1.00 -4.81 105.19 105.70 1nwu n GLY 292 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1nwu n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nwu s THR 293 N -2.69 0.93 -0.09 2.61 2.01 -0.49 -1.98 115.64 115.94 1nwu s THR 293 Ca 0.00 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 1nwu s THR 293 Cb 0.00 -0.83 0.04 0.00 0.01 0.00 0.00 72.50 71.72 1nwu s THR 293 CO 0.00 0.05 0.21 -0.76 -0.69 0.00 0.00 174.62 173.43 1nwu s LEU 294 N -0.82 0.52 0.69 4.42 1.43 -1.01 -3.93 118.68 119.97 1nwu s LEU 294 Ca 0.01 0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 1nwu s LEU 294 Cb -0.06 0.60 0.01 0.00 0.03 0.00 0.00 46.19 46.77 1nwu s LEU 294 CO 0.01 -0.16 1.06 0.00 0.23 0.00 0.00 176.35 177.49 1nwu s ALA 295 N 1.23 2.65 0.28 4.21 0.00 -1.26 -0.91 121.76 127.97 1nwu s ALA 295 Ca -0.09 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 1nwu s ALA 295 Cb -0.11 -3.19 0.45 0.00 0.00 0.00 0.00 23.12 20.27 1nwu s ALA 295 CO -0.08 -1.23 1.91 -0.92 0.00 0.00 0.00 175.76 175.44 1nwu h TYR 296 N -0.64 1.13 -0.09 0.00 3.20 0.12 -0.05 116.97 120.63 1nwu h TYR 296 Ca -0.44 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.40 1nwu h TYR 296 Cb 1.21 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 1nwu h TYR 296 CO 0.61 0.61 -0.22 0.10 -1.64 0.00 0.00 178.16 177.62 1nwu h TYR 297 N 1.13 0.17 -0.04 -3.82 -0.00 -1.79 -0.57 116.97 112.04 1nwu h TYR 297 Ca 0.40 -0.02 -0.16 0.00 0.00 0.00 0.00 58.73 58.94 1nwu h TYR 297 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 36.73 36.79 1nwu h TYR 297 CO -0.00 0.37 -0.69 0.93 -0.00 0.00 0.00 178.16 178.77 1nwu h GLU 298 N 0.14 0.20 -0.51 0.10 5.08 -1.52 -3.04 114.58 115.03 1nwu h GLU 298 Ca 0.03 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 1nwu h GLU 298 Cb 0.48 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1nwu h GLU 298 CO 0.03 0.81 -0.12 0.82 -1.00 0.00 0.00 179.01 179.55 1nwu h ILE 299 N 0.13 1.27 -0.37 3.13 2.04 -0.07 -1.47 117.51 122.18 1nwu h ILE 299 Ca -0.02 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.62 1nwu h ILE 299 Cb 1.23 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1nwu h ILE 299 CO 0.10 0.44 0.24 0.00 0.00 0.00 0.00 178.15 178.94 1nwu h ASP 301 N 0.38 0.10 -1.01 0.00 3.32 -1.40 -3.19 116.42 114.62 1nwu h ASP 301 Ca 0.15 -0.60 0.17 0.00 0.02 0.00 0.00 57.03 56.76 1nwu h ASP 301 Cb 0.13 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.55 1nwu h ASP 301 CO -0.03 0.68 0.62 0.15 -1.72 0.00 0.00 179.24 178.94 1nwu h PHE 302 N -0.48 1.10 -0.10 4.55 3.57 -0.13 -0.94 116.94 124.52 1nwu h PHE 302 Ca -0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1nwu h PHE 302 Cb 0.67 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1nwu h PHE 302 CO 0.13 0.31 0.13 -0.07 -2.23 0.00 0.00 178.31 176.58 1nwu h LEU 303 N 0.85 0.00 -8.85 0.59 3.38 -0.20 -3.36 115.31 107.71 1nwu h LEU 303 Ca 0.55 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.95 1nwu h LEU 303 Cb 0.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1nwu h LEU 303 CO -0.34 0.00 1.33 -0.13 0.09 0.00 0.00 178.44 179.39 1nwu s ARG 304 N -4.54 3.21 0.00 1.13 0.52 -0.36 -1.11 118.95 117.81 1nwu s ARG 304 Ca -0.05 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.64 1nwu s ARG 304 Cb 0.14 -4.25 0.00 0.00 0.52 0.00 0.00 34.95 31.36 1nwu s ARG 304 CO 0.51 -2.01 0.00 0.41 0.02 0.00 0.00 175.30 174.23 1nwu n GLY 305 N 5.52 0.72 3.91 -3.53 0.00 -1.26 -5.06 105.19 105.49 1nwu n GLY 305 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 1nwu n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwu s ALA 306 N -2.18 4.05 -0.17 4.61 0.00 -0.27 -4.93 121.76 122.88 1nwu s ALA 306 Ca 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 51.96 50.31 1nwu s ALA 306 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1nwu s ALA 306 CO 0.00 -0.05 -0.03 0.99 0.00 0.00 0.00 175.76 176.67 1nwu s THR 307 N -2.28 3.88 -0.15 0.00 2.01 -0.71 -4.95 115.64 113.44 1nwu s THR 307 Ca 0.44 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 1nwu s THR 307 Cb -0.07 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 1nwu s THR 307 CO 0.29 0.48 0.01 -0.69 -0.69 0.00 0.00 174.62 174.01 1nwu s VAL 308 N 0.53 4.30 -0.05 3.82 1.01 -1.26 -1.37 120.40 127.38 1nwu s VAL 308 Ca -0.03 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1nwu s VAL 308 Cb -0.14 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1nwu s VAL 308 CO 0.03 0.50 -0.21 -1.00 0.00 0.00 0.00 175.10 174.42 1nwu s HIS 309 N 0.12 2.05 -0.30 5.22 3.76 -0.43 -4.99 115.29 120.73 1nwu s HIS 309 Ca 0.02 -0.58 -0.19 0.00 -0.15 0.00 0.00 55.06 54.16 1nwu s HIS 309 Cb -0.13 -1.35 -0.01 0.00 1.11 0.00 0.00 32.58 32.19 1nwu s HIS 309 CO 0.02 -0.17 0.58 1.03 -0.85 0.00 0.00 174.74 175.34 1nwu s ARG 310 N -0.11 3.92 -0.43 1.40 1.81 -1.26 -1.85 118.95 122.43 1nwu s ARG 310 Ca -0.02 0.25 -0.29 0.00 -1.72 0.00 0.00 55.73 53.94 1nwu s ARG 310 Cb -0.12 -3.71 0.02 0.00 -0.45 0.00 0.00 34.95 30.68 1nwu s ARG 310 CO 0.02 -0.51 1.29 0.42 -0.68 0.00 0.00 175.30 175.85 1nwu s ILE 311 N 2.48 4.05 0.32 1.52 1.01 0.06 -4.97 121.20 125.67 1nwu s ILE 311 Ca 0.23 1.08 -0.29 0.00 0.00 0.00 0.00 60.65 61.67 1nwu s ILE 311 Cb -0.15 -4.36 -0.10 0.00 0.01 0.00 0.00 42.46 37.85 1nwu s ILE 311 CO 0.11 -0.84 1.37 -0.76 0.00 0.00 0.00 174.94 174.83 1nwu s LEU 312 N 4.95 4.40 0.00 2.97 1.43 -1.26 -1.14 118.68 130.02 1nwu s LEU 312 Ca 0.55 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 56.41 1nwu s LEU 312 Cb -0.11 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1nwu s LEU 312 CO 0.31 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1nwu n GLY 313 N 1.05 2.26 0.06 -3.19 0.00 -1.26 -4.45 105.19 99.66 1nwu n GLY 313 Ca 0.02 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.63 1nwu n GLY 313 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nwu n GLN 314 N 0.00 0.60 -1.93 1.61 6.02 -1.02 -3.75 117.38 118.91 1nwu n GLN 314 Ca 0.00 -0.04 -0.16 0.00 -0.01 0.00 0.00 57.00 56.80 1nwu n GLN 314 Cb 0.00 -1.66 -0.03 0.00 1.02 0.00 0.00 30.24 29.56 1nwu n GLN 314 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1nwu n GLN 315 N -2.42 -1.18 -4.15 -1.09 1.13 -0.29 -1.37 117.38 108.01 1nwu n GLN 315 Ca -0.02 0.89 -0.11 0.00 -1.94 0.00 0.00 57.00 55.82 1nwu n GLN 315 Cb 0.55 -5.17 -0.10 0.00 0.11 0.00 0.00 30.24 25.62 1nwu n GLN 315 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1nwu s VAL 316 N -2.70 0.67 0.21 5.09 -7.23 -1.25 -4.66 120.40 110.54 1nwu s VAL 316 Ca 0.00 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.47 1nwu s VAL 316 Cb 0.00 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1nwu s VAL 316 CO 0.00 -0.76 0.32 -2.16 -0.31 0.00 0.00 175.10 172.18 1nwu s PRO 317 N -3.34 3.37 0.07 4.82 0.04 -1.24 -0.76 135.00 137.97 1nwu s PRO 317 Ca 0.07 -0.75 0.03 0.00 0.04 0.00 0.00 61.00 60.39 1nwu s PRO 317 Cb 0.02 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 1nwu s PRO 317 CO -0.04 0.45 -0.09 1.52 0.04 0.00 0.00 177.00 178.89 1nwu s TYR 318 N -1.92 0.89 0.05 0.56 -0.85 -0.77 -2.08 117.35 113.23 1nwu s TYR 318 Ca 0.34 -0.62 0.06 0.00 -0.52 0.00 0.00 57.07 56.32 1nwu s TYR 318 Cb -0.09 -0.51 -0.02 0.00 0.38 0.00 0.00 41.96 41.71 1nwu s TYR 318 CO 0.28 -0.05 -0.17 0.00 -1.52 0.00 0.00 175.55 174.08 1nwu s ALA 319 N -2.14 1.46 0.01 9.51 0.00 -0.09 -1.31 121.76 129.20 1nwu s ALA 319 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1nwu s ALA 319 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1nwu s ALA 319 CO -0.01 0.30 -0.02 -0.08 0.00 0.00 0.00 175.76 175.96 1nwu s THR 320 N -0.85 0.10 -0.28 0.00 -1.32 -0.47 -1.07 115.64 111.75 1nwu s THR 320 Ca 0.04 -0.43 -0.12 0.00 -1.21 0.00 0.00 61.69 59.98 1nwu s THR 320 Cb -0.08 -0.16 0.10 0.00 -1.51 0.00 0.00 72.50 70.85 1nwu s THR 320 CO 0.02 -0.21 0.63 -0.75 -2.21 0.00 0.00 174.62 172.11 1nwu s LYS 321 N -0.66 0.60 5.99 7.08 2.20 -0.68 -1.74 119.74 132.52 1nwu s LYS 321 Ca -0.07 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 1nwu s LYS 321 Cb -0.05 0.51 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 1nwu s LYS 321 CO -0.00 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1nwu n GLY 322 N 4.96 3.02 1.32 5.54 0.00 -1.26 -1.65 105.19 117.11 1nwu n GLY 322 Ca -0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 1nwu n GLY 322 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nwu n ASN 323 N 1.09 3.28 -4.50 1.61 6.94 -1.26 -4.88 115.26 117.55 1nwu n ASN 323 Ca 0.00 -2.56 -0.30 0.00 -0.02 0.00 0.00 54.58 51.69 1nwu n ASN 323 Cb 0.00 -0.62 -0.12 0.00 -2.36 0.00 0.00 39.78 36.69 1nwu n ASN 323 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1nwu s GLN 324 N -1.72 2.08 -0.13 -3.83 -1.52 -0.66 0.31 119.66 114.20 1nwu s GLN 324 Ca 0.26 -1.00 -0.08 0.00 -1.95 0.00 0.00 55.36 52.60 1nwu s GLN 324 Cb 0.21 -2.23 0.05 0.00 -0.22 0.00 0.00 33.01 30.81 1nwu s GLN 324 CO 0.07 0.53 0.31 -0.46 -0.25 0.00 0.00 175.29 175.48 1nwu s TRP 325 N -1.03 -0.41 -0.05 0.91 -0.00 -0.66 -1.69 118.94 116.01 1nwu s TRP 325 Ca 0.17 0.93 -0.02 0.00 -0.00 0.00 0.00 56.10 57.18 1nwu s TRP 325 Cb -0.11 0.13 0.04 0.00 -0.00 0.00 0.00 33.47 33.52 1nwu s TRP 325 CO 0.08 -0.25 0.10 0.54 -0.00 0.00 0.00 176.95 177.43 1nwu s VAL 326 N 1.05 -0.05 -0.18 5.86 0.11 -0.23 -0.11 120.40 126.84 1nwu s VAL 326 Ca -0.07 0.20 -0.13 0.00 -2.93 0.00 0.00 61.98 59.05 1nwu s VAL 326 Cb -0.08 -0.18 -0.05 0.00 -1.53 0.00 0.00 36.38 34.54 1nwu s VAL 326 CO -0.08 0.08 0.25 -0.83 -3.33 0.00 0.00 175.10 171.19 1nwu s GLY 327 N 1.15 2.13 0.13 6.54 0.00 -0.63 -0.91 107.32 115.73 1nwu s GLY 327 Ca -0.09 -0.57 -0.02 0.00 0.00 0.00 0.00 44.72 44.04 1nwu s GLY 327 CO -0.05 0.40 0.20 1.58 0.00 0.00 0.00 173.10 175.23 1nwu n TYR 328 N 3.75 -1.00 -5.26 1.90 4.11 -0.88 -1.68 117.16 118.09 1nwu n TYR 328 Ca -0.13 -0.79 -0.31 0.00 -0.00 0.00 0.00 57.90 56.67 1nwu n TYR 328 Cb 0.52 0.23 -0.16 0.00 -0.00 0.00 0.00 39.34 39.93 1nwu n TYR 328 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1nwu s ASP 329 N -1.76 3.15 0.36 9.48 1.01 -1.26 -3.68 116.67 123.97 1nwu s ASP 329 Ca 0.09 -0.45 0.02 0.00 0.71 0.00 0.00 52.55 52.92 1nwu s ASP 329 Cb -0.01 -0.47 -0.01 0.00 1.01 0.00 0.00 42.92 43.44 1nwu s ASP 329 CO 0.06 0.31 0.07 -0.90 0.21 0.00 0.00 175.17 174.93 1nwu n ASP 330 N 2.51 1.90 -0.24 0.27 5.68 -1.26 -4.95 116.55 120.46 1nwu n ASP 330 Ca -0.16 -2.77 0.05 0.00 -0.50 0.00 0.00 54.79 51.41 1nwu n ASP 330 Cb 0.51 0.63 0.17 0.00 -1.14 0.00 0.00 41.12 41.30 1nwu n ASP 330 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1nwu h GLN 331 N 0.00 0.22 -0.36 0.11 7.50 -1.93 -0.41 115.11 120.24 1nwu h GLN 331 Ca -0.29 -0.01 -0.03 0.00 0.50 0.00 0.00 58.65 58.82 1nwu h GLN 331 Cb 1.00 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 28.47 1nwu h GLN 331 CO 0.46 0.14 0.12 1.49 -1.50 0.00 0.00 178.83 179.55 1nwu h GLU 332 N 0.22 0.55 -0.23 1.46 4.81 -2.00 -2.42 114.58 116.98 1nwu h GLU 332 Ca 0.41 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.36 1nwu h GLU 332 Cb 0.70 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1nwu h GLU 332 CO -0.54 0.55 -0.52 0.66 -0.73 0.00 0.00 179.01 178.44 1nwu h SER 333 N 0.43 0.71 0.14 1.04 4.64 -1.60 -2.71 113.55 116.20 1nwu h SER 333 Ca 0.12 -0.37 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 1nwu h SER 333 Cb 0.23 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1nwu h SER 333 CO -0.01 1.10 -0.23 -0.37 -0.87 0.00 0.00 176.83 176.46 1nwu h VAL 334 N 0.50 1.21 -0.23 0.95 -1.51 -1.08 -0.62 116.25 115.49 1nwu h VAL 334 Ca 0.02 -0.99 -0.01 0.00 -1.23 0.00 0.00 66.70 64.49 1nwu h VAL 334 Cb 1.08 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 1nwu h VAL 334 CO 0.10 0.30 0.11 0.50 -1.23 0.00 0.00 177.57 177.35 1nwu h LYS 335 N 0.15 0.33 -0.65 5.19 3.64 -1.26 0.31 116.57 124.28 1nwu h LYS 335 Ca 0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1nwu h LYS 335 Cb 0.50 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1nwu h LYS 335 CO 0.03 0.34 0.35 0.77 -2.27 0.00 0.00 179.45 178.68 1nwu h SER 336 N 0.24 0.82 -0.79 4.20 0.02 -1.10 -0.32 113.55 116.61 1nwu h SER 336 Ca 0.08 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1nwu h SER 336 Cb 0.12 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1nwu h SER 336 CO -0.01 0.68 0.36 0.11 -1.14 0.00 0.00 176.83 176.83 1nwu h LYS 337 N 0.89 1.17 -0.51 3.45 1.57 -0.80 -0.63 116.57 121.70 1nwu h LYS 337 Ca 0.23 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1nwu h LYS 337 Cb 0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1nwu h LYS 337 CO -0.04 0.92 0.07 0.28 -0.57 0.00 0.00 179.45 180.11 1nwu h VAL 338 N 1.15 1.25 -0.92 0.50 2.07 -0.47 -1.11 116.25 118.72 1nwu h VAL 338 Ca 0.27 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.91 1nwu h VAL 338 Cb 0.16 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1nwu h VAL 338 CO -0.03 0.35 0.57 -0.61 0.02 0.00 0.00 177.57 177.87 1nwu h GLN 339 N 0.74 0.96 -0.23 1.57 5.75 -0.49 -0.28 115.11 123.12 1nwu h GLN 339 Ca 0.15 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1nwu h GLN 339 Cb 0.42 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1nwu h GLN 339 CO 0.01 0.63 0.07 -0.92 -2.65 0.00 0.00 178.83 175.98 1nwu h TYR 340 N 0.99 0.38 -0.20 3.99 3.20 -0.60 -1.39 116.97 123.32 1nwu h TYR 340 Ca 0.42 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.17 1nwu h TYR 340 Cb 0.29 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1nwu h TYR 340 CO -0.02 0.43 -0.27 1.37 -1.64 0.00 0.00 178.16 178.03 1nwu h LEU 341 N 0.21 0.39 -0.41 2.82 8.10 -0.56 -1.96 115.31 123.91 1nwu h LEU 341 Ca 0.08 -0.13 -0.12 0.00 0.11 0.00 0.00 57.88 57.81 1nwu h LEU 341 Cb 0.23 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.34 1nwu h LEU 341 CO -0.00 0.66 -0.23 0.11 -4.11 0.00 0.00 178.44 174.87 1nwu h LYS 342 N 0.35 0.88 0.00 0.17 1.57 -0.96 -1.19 116.57 117.39 1nwu h LYS 342 Ca 0.05 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1nwu h LYS 342 Cb 0.66 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1nwu h LYS 342 CO 0.05 1.04 -0.10 -0.44 -0.57 0.00 0.00 179.45 179.43 1nwu h ASP 343 N 0.70 0.00 -0.02 0.86 3.32 -0.96 0.04 116.42 120.35 1nwu h ASP 343 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1nwu h ASP 343 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1nwu h ASP 343 CO 0.07 0.10 0.00 0.54 -1.72 0.00 0.00 179.24 178.23 1nwu n ARG 344 N -3.89 1.82 -3.75 3.56 5.12 -0.76 -4.96 116.66 113.80 1nwu n ARG 344 Ca -0.02 -1.19 -0.25 0.00 -1.93 0.00 0.00 57.85 54.45 1nwu n ARG 344 Cb 0.20 -1.47 0.04 0.00 -1.16 0.00 0.00 32.46 30.07 1nwu n ARG 344 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1nwu n GLN 345 N 0.45 -5.77 -2.14 5.56 6.02 -0.00 -4.94 117.38 116.56 1nwu n GLN 345 Ca 0.18 0.66 -0.28 0.00 -0.01 0.00 0.00 57.00 57.55 1nwu n GLN 345 Cb 0.41 -5.47 0.04 0.00 1.02 0.00 0.00 30.24 26.25 1nwu n GLN 345 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nwu s LEU 346 N -6.99 3.02 0.56 1.08 1.43 -0.57 -4.13 118.68 113.08 1nwu s LEU 346 Ca 0.35 0.87 0.33 0.00 -1.03 0.00 0.00 54.13 54.65 1nwu s LEU 346 Cb -0.17 -3.65 1.67 0.00 0.03 0.00 0.00 46.19 44.07 1nwu s LEU 346 CO 0.80 -1.27 2.12 0.00 0.23 0.00 0.00 176.35 178.24 1nwu h ALA 347 N -0.46 1.15 0.00 4.21 0.00 0.46 -3.46 119.26 121.15 1nwu h ALA 347 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nwu h ALA 347 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1nwu h ALA 347 CO 0.62 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.36 1nwu n GLY 348 N -0.60 0.20 3.36 0.00 0.00 -1.23 0.06 105.19 106.98 1nwu n GLY 348 Ca -0.01 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 1nwu n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwu s ALA 349 N -1.00 2.21 -0.01 4.61 0.00 -0.62 -1.18 121.76 125.78 1nwu s ALA 349 Ca 0.00 -1.49 0.08 0.00 0.00 0.00 0.00 51.96 50.54 1nwu s ALA 349 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1nwu s ALA 349 CO 0.00 0.37 -0.24 1.41 0.00 0.00 0.00 175.76 177.30 1nwu s MET 350 N -2.48 2.10 -0.11 0.00 0.00 0.53 -0.98 119.30 118.36 1nwu s MET 350 Ca 0.15 -0.94 0.03 0.00 0.00 0.00 0.00 55.69 54.94 1nwu s MET 350 Cb -0.08 -2.07 0.01 0.00 0.00 0.00 0.00 34.83 32.68 1nwu s MET 350 CO 0.07 0.56 -0.21 0.08 0.00 0.00 0.00 175.02 175.51 1nwu s VAL 351 N -0.67 1.93 -0.26 10.11 1.01 0.11 0.10 120.40 132.72 1nwu s VAL 351 Ca 0.11 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1nwu s VAL 351 Cb -0.10 -1.70 0.07 0.00 0.00 0.00 0.00 36.38 34.65 1nwu s VAL 351 CO 0.00 0.53 -0.01 0.86 0.00 0.00 0.00 175.10 176.48 1nwu s TRP 352 N 0.61 2.47 0.13 5.22 -0.11 -1.07 -1.70 118.94 124.49 1nwu s TRP 352 Ca -0.13 -1.94 -0.06 0.00 1.22 0.00 0.00 56.10 55.20 1nwu s TRP 352 Cb -0.17 -1.81 -0.02 0.00 -1.50 0.00 0.00 33.47 29.97 1nwu s TRP 352 CO 0.03 -0.82 0.17 0.00 -4.62 0.00 0.00 176.95 171.72 1nwu s ALA 353 N 1.36 0.27 0.27 5.86 0.00 -1.26 -1.50 121.76 126.76 1nwu s ALA 353 Ca -0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1nwu s ALA 353 Cb -0.19 0.74 0.56 0.00 0.00 0.00 0.00 23.12 24.23 1nwu s ALA 353 CO -0.10 -0.55 1.76 -0.07 0.00 0.00 0.00 175.76 176.81 1nwu h LEU 354 N 2.74 0.56 0.00 0.00 3.38 -1.17 -0.44 115.31 120.38 1nwu h LEU 354 Ca -0.33 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nwu h LEU 354 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1nwu h LEU 354 CO 0.55 0.23 0.00 -0.90 0.09 0.00 0.00 178.44 178.40 1nwu n ASP 355 N -4.86 0.00 -0.00 -0.43 5.68 -1.26 -2.53 116.55 113.15 1nwu n ASP 355 Ca 0.18 -0.63 0.08 0.00 -0.50 0.00 0.00 54.79 53.92 1nwu n ASP 355 Cb 0.45 -0.06 -0.10 0.00 -1.14 0.00 0.00 41.12 40.27 1nwu n ASP 355 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1nwu n LEU 356 N -1.06 0.54 -4.89 -2.12 4.77 -0.19 -4.88 117.00 109.17 1nwu n LEU 356 Ca 0.17 -0.36 -0.29 0.00 -0.03 0.00 0.00 56.01 55.49 1nwu n LEU 356 Cb 0.11 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.33 1nwu n LEU 356 CO 0.15 0.13 0.81 -0.62 -1.33 0.00 0.00 177.39 176.53 1nwu s ASP 357 N -2.85 3.77 -1.29 -1.43 -1.08 -1.05 -0.60 116.67 112.14 1nwu s ASP 357 Ca 0.03 0.61 -0.16 0.00 -0.52 0.00 0.00 52.55 52.51 1nwu s ASP 357 Cb 0.11 -0.95 0.09 0.00 -1.46 0.00 0.00 42.92 40.72 1nwu s ASP 357 CO 0.65 -2.35 1.72 -0.67 0.52 0.00 0.00 175.17 175.04 1nwu n ASP 358 N -3.58 4.91 0.20 -0.34 2.03 -1.26 -4.53 116.55 113.98 1nwu n ASP 358 Ca 0.11 -2.93 0.05 0.00 0.52 0.00 0.00 54.79 52.53 1nwu n ASP 358 Cb 0.60 -1.69 0.42 0.00 -0.72 0.00 0.00 41.12 39.74 1nwu n ASP 358 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1nwu h PHE 359 N 7.24 0.00 -0.08 -0.67 -5.15 -1.90 0.60 116.94 116.99 1nwu h PHE 359 Ca 0.43 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 58.03 1nwu h PHE 359 Cb 0.84 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.00 1nwu h PHE 359 CO 1.35 0.33 -0.67 1.96 -2.00 0.00 0.00 178.31 179.28 1nwu h GLN 360 N 0.00 0.33 -0.00 6.09 1.08 -1.89 -3.39 115.11 117.32 1nwu h GLN 360 Ca -0.00 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1nwu h GLN 360 Cb 0.65 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1nwu h GLN 360 CO 0.04 0.88 -0.00 0.41 -0.95 0.00 0.00 178.83 179.21 1nwu n GLY 361 N 0.43 0.46 0.00 3.46 0.00 -0.91 -4.77 105.19 103.87 1nwu n GLY 361 Ca -0.03 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1nwu n GLY 361 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nwu n SER 362 N -0.07 0.78 0.08 1.61 3.41 -1.26 -3.19 113.62 114.98 1nwu n SER 362 Ca -0.00 -0.77 -0.22 0.00 -0.26 0.00 0.00 58.87 57.61 1nwu n SER 362 Cb 0.04 1.07 -0.15 0.00 -0.26 0.00 0.00 64.21 64.91 1nwu n SER 362 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1nwu h PHE 363 N 0.00 0.71 -0.49 7.33 -1.00 -1.90 -3.35 116.94 118.24 1nwu h PHE 363 Ca 0.00 -0.52 0.00 0.00 2.81 0.00 0.00 57.97 60.26 1nwu h PHE 363 Cb 0.39 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.92 1nwu h PHE 363 CO 0.00 1.64 0.00 0.00 -1.61 0.00 0.00 178.31 178.34 1nwu n GLY 365 N 1.10 -0.98 4.38 0.00 0.00 -1.26 -4.82 105.19 103.61 1nwu n GLY 365 Ca 0.18 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1nwu n GLY 365 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nwu n GLN 366 N -0.91 0.00 -0.63 1.61 1.13 -1.26 -3.75 117.38 113.57 1nwu n GLN 366 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1nwu n GLN 366 Cb 0.00 -3.02 0.00 0.00 0.11 0.00 0.00 30.24 27.33 1nwu n GLN 366 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1nwu n ASP 367 N 0.00 -1.93 -4.70 1.08 8.00 -1.19 -4.91 116.55 112.90 1nwu n ASP 367 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1nwu n ASP 367 Cb 0.00 -2.69 -0.03 0.00 -0.02 0.00 0.00 41.12 38.38 1nwu n ASP 367 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nwu s LEU 368 N 0.00 4.32 0.28 0.64 2.96 -1.25 -4.79 118.68 120.84 1nwu s LEU 368 Ca 0.00 1.80 -0.20 0.00 -0.22 0.00 0.00 54.13 55.51 1nwu s LEU 368 Cb 0.00 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.03 1nwu s LEU 368 CO 0.00 -0.46 0.79 -0.13 -1.32 0.00 0.00 176.35 175.23 1nwu s ARG 369 N 1.59 4.27 -1.29 1.98 0.52 -1.26 -4.13 118.95 120.63 1nwu s ARG 369 Ca 0.55 0.94 -0.10 0.00 -0.52 0.00 0.00 55.73 56.60 1nwu s ARG 369 Cb -0.24 -2.73 -0.00 0.00 0.52 0.00 0.00 34.95 32.50 1nwu s ARG 369 CO 0.25 0.30 0.58 1.19 0.02 0.00 0.00 175.30 177.64 1nwu n PHE 370 N 0.39 -1.74 -0.24 -0.53 3.72 0.16 -4.79 117.46 114.44 1nwu n PHE 370 Ca 0.00 0.59 0.01 0.00 -0.05 0.00 0.00 57.45 58.01 1nwu n PHE 370 Cb 0.51 -3.59 0.13 0.00 -0.94 0.00 0.00 39.48 35.59 1nwu n PHE 370 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1nwu h PRO 371 N -1.91 0.56 -0.28 -1.08 0.13 -1.75 0.33 132.00 128.00 1nwu h PRO 371 Ca -0.65 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.32 1nwu h PRO 371 Cb 1.37 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1nwu h PRO 371 CO 0.56 0.37 -0.32 -0.07 -0.23 0.00 0.00 178.00 178.31 1nwu h LEU 372 N 0.58 0.77 -0.79 1.56 3.38 -1.94 -1.39 115.31 117.47 1nwu h LEU 372 Ca 0.34 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1nwu h LEU 372 Cb 0.35 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1nwu h LEU 372 CO -0.26 1.10 -0.44 0.74 0.09 0.00 0.00 178.44 179.66 1nwu h THR 373 N 0.46 1.32 -0.13 0.22 2.02 -1.88 -1.96 112.91 112.96 1nwu h THR 373 Ca 0.04 -1.62 -0.17 0.00 0.77 0.00 0.00 66.41 65.43 1nwu h THR 373 Cb 0.90 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1nwu h THR 373 CO 0.08 0.49 -0.62 0.78 0.37 0.00 0.00 175.52 176.62 1nwu h ASN 374 N 0.29 0.52 -0.89 4.18 2.35 -0.91 -1.27 115.58 119.85 1nwu h ASN 374 Ca 0.02 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1nwu h ASN 374 Cb 0.90 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.08 1nwu h ASN 374 CO 0.07 1.02 0.56 0.00 -1.65 0.00 0.00 177.43 177.43 1nwu h ALA 375 N 0.99 1.13 -0.47 -0.83 0.00 -0.99 0.10 119.26 119.19 1nwu h ALA 375 Ca -0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1nwu h ALA 375 Cb 1.17 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1nwu h ALA 375 CO 0.11 0.56 -0.12 0.82 0.00 0.00 0.00 179.25 180.62 1nwu h ILE 376 N 1.21 1.27 0.08 0.00 2.04 -1.11 -1.70 117.51 119.31 1nwu h ILE 376 Ca 0.32 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1nwu h ILE 376 Cb -0.09 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1nwu h ILE 376 CO -0.06 0.43 -0.04 0.50 0.00 0.00 0.00 178.15 178.98 1nwu h LYS 377 N 0.76 -0.11 -0.91 2.37 3.64 -0.72 -1.24 116.57 120.36 1nwu h LYS 377 Ca 0.12 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1nwu h LYS 377 Cb 0.68 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 1nwu h LYS 377 CO 0.05 0.07 0.60 -0.44 -2.27 0.00 0.00 179.45 177.46 1nwu h ASP 378 N -0.27 1.02 -0.16 4.20 3.32 -0.79 -1.96 116.42 121.77 1nwu h ASP 378 Ca -0.01 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 1nwu h ASP 378 Cb 0.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1nwu h ASP 378 CO 0.02 0.72 -0.24 0.00 -1.72 0.00 0.00 179.24 178.02 1nwu h ALA 379 N 1.45 1.00 -0.08 3.45 0.00 -1.13 -0.49 119.26 123.46 1nwu h ALA 379 Ca 0.35 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1nwu h ALA 379 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nwu h ALA 379 CO -0.09 0.59 -0.37 -0.07 0.00 0.00 0.00 179.25 179.31 1nwu h LEU 380 N 0.54 0.16 0.00 0.00 3.38 -0.50 -2.95 115.31 115.93 1nwu h LEU 380 Ca 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1nwu h LEU 380 Cb 0.70 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1nwu h LEU 380 CO 0.05 0.53 -0.80 0.00 0.09 0.00 0.00 178.44 178.31 1nwu h ALA 381 N 1.48 0.60 -2.16 1.53 0.00 -1.15 -3.47 119.26 116.10 1nwu h ALA 381 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.48 1nwu h ALA 381 Cb 0.73 0.00 0.21 0.00 0.00 0.00 0.00 17.79 18.73 1nwu h ALA 381 CO 0.05 0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.34 1nwu s ALA 382 N -3.33 -0.29 0.00 0.00 0.00 -0.21 -5.10 121.76 112.82 1nwu s ALA 382 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1nwu s ALA 382 Cb 0.09 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1nwu s ALA 382 CO 0.77 -3.76 0.00 2.41 0.00 0.00 0.00 175.76 175.18