#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wu8 s THR 3 N 0.00 5.11 -0.08 1.39 -4.23 0.36 0.17 115.64 118.36 1wu8 s THR 3 Ca 0.00 -0.79 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1wu8 s THR 3 Cb 0.00 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.23 1wu8 s THR 3 CO 0.00 -0.10 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.11 1wu8 s LEU 4 N -3.20 1.57 -0.09 4.79 1.43 0.07 -1.50 118.68 121.74 1wu8 s LEU 4 Ca 0.34 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1wu8 s LEU 4 Cb -0.11 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.29 1wu8 s LEU 4 CO 0.27 0.00 -0.04 -0.89 0.23 0.00 0.00 176.35 175.92 1wu8 s THR 5 N 0.89 0.71 0.33 5.49 2.01 -0.80 -0.90 115.64 123.37 1wu8 s THR 5 Ca -0.10 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 1wu8 s THR 5 Cb -0.15 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.58 1wu8 s THR 5 CO 0.01 0.31 0.52 0.42 -0.69 0.00 0.00 174.62 175.19 1wu8 s THR 6 N 1.71 0.00 -0.13 -0.82 -4.23 -0.49 0.16 115.64 111.84 1wu8 s THR 6 Ca 0.03 -1.47 0.19 0.00 -1.18 0.00 0.00 61.69 59.26 1wu8 s THR 6 Cb -0.13 -2.59 0.29 0.00 1.34 0.00 0.00 72.50 71.41 1wu8 s THR 6 CO -0.06 0.00 1.15 -0.90 -0.54 0.00 0.00 174.62 174.27 1wu8 n ASP 7 N -1.20 2.31 0.02 3.99 5.75 -1.21 -2.83 116.55 123.38 1wu8 n ASP 7 Ca -0.01 -3.09 0.06 0.00 -0.01 0.00 0.00 54.79 51.74 1wu8 n ASP 7 Cb 0.61 -0.43 0.47 0.00 -1.03 0.00 0.00 41.12 40.74 1wu8 n ASP 7 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 1wu8 h PHE 8 N 0.02 0.43 0.00 2.11 0.04 -1.82 -3.44 116.94 114.28 1wu8 h PHE 8 Ca -0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1wu8 h PHE 8 Cb 1.01 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.01 1wu8 h PHE 8 CO 0.01 0.26 0.00 0.41 -0.60 0.00 0.00 178.31 178.39 1wu8 n GLY 9 N -1.49 1.29 0.00 -1.45 0.00 -0.06 -4.87 105.19 98.61 1wu8 n GLY 9 Ca 0.04 -1.98 0.07 0.00 0.00 0.00 0.00 46.02 44.15 1wu8 n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wu8 n LEU 10 N -0.08 0.30 -4.09 0.99 4.77 -1.26 -4.75 117.00 112.89 1wu8 n LEU 10 Ca 0.00 -0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.33 1wu8 n LEU 10 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1wu8 n LEU 10 CO 0.00 0.08 1.32 1.17 -1.33 0.00 0.00 177.39 178.62 1wu8 n LYS 11 N -1.74 3.95 -3.26 3.23 4.81 -1.26 -4.92 118.16 118.97 1wu8 n LYS 11 Ca -0.00 -4.18 0.00 0.00 -0.87 0.00 0.00 58.31 53.26 1wu8 n LYS 11 Cb 0.33 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.68 1wu8 n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wu8 n GLY 12 N 2.30 -1.08 0.37 3.14 0.00 -1.26 -5.03 105.19 103.63 1wu8 n GLY 12 Ca 0.31 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.56 1wu8 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wu8 n PRO 13 N 0.00 1.40 -0.04 1.61 -0.04 -1.26 -4.70 135.00 131.97 1wu8 n PRO 13 Ca 0.00 -0.78 -0.09 0.00 -0.04 0.00 0.00 63.50 62.59 1wu8 n PRO 13 Cb 0.00 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.07 1wu8 n PRO 13 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1wu8 h TYR 14 N 1.82 -0.73 -0.55 0.54 0.05 -1.93 0.13 116.97 116.30 1wu8 h TYR 14 Ca 0.00 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1wu8 h TYR 14 Cb 0.62 0.35 -0.03 0.00 1.01 0.00 0.00 36.73 38.69 1wu8 h TYR 14 CO 0.00 -0.35 0.25 0.28 -1.05 0.00 0.00 178.16 177.30 1wu8 h VAL 15 N -0.29 1.21 -0.31 -2.88 2.07 -1.85 -2.97 116.25 111.23 1wu8 h VAL 15 Ca 0.13 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1wu8 h VAL 15 Cb 0.49 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1wu8 h VAL 15 CO -0.39 0.24 0.15 1.23 0.02 0.00 0.00 177.57 178.82 1wu8 h GLY 16 N 0.75 0.48 -1.31 2.17 0.00 -1.77 -1.82 103.07 101.56 1wu8 h GLY 16 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1wu8 h GLY 16 CO -0.02 0.23 0.00 1.18 0.00 0.00 0.00 176.54 177.92 1wu8 n GLU 17 N -4.77 0.00 0.00 4.80 1.02 0.44 -1.00 120.64 121.13 1wu8 n GLU 17 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1wu8 n GLU 17 Cb 0.11 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1wu8 n GLU 17 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wu8 n LYS 19 N 0.50 0.00 0.04 3.49 5.02 -0.69 -1.61 118.16 124.91 1wu8 n LYS 19 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1wu8 n LYS 19 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.30 1wu8 n LYS 19 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1wu8 h VAL 20 N 0.00 1.22 0.00 -0.18 -1.51 -1.35 -0.39 116.25 114.04 1wu8 h VAL 20 Ca 0.00 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 1wu8 h VAL 20 Cb 0.00 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1wu8 h VAL 20 CO 0.00 0.31 0.00 0.00 -1.23 0.00 0.00 177.57 176.65 1wu8 n ALA 21 N -2.48 1.24 0.00 5.19 0.00 -0.63 -0.75 120.51 123.08 1wu8 n ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wu8 n ALA 21 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1wu8 n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wu8 n LEU 23 N 0.55 0.00 -0.25 0.00 4.77 -0.16 -2.65 117.00 119.26 1wu8 n LEU 23 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1wu8 n LEU 23 Cb 0.03 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1wu8 n LEU 23 CO 0.00 0.00 1.14 0.03 -1.33 0.00 0.00 177.39 177.23 1wu8 h ARG 24 N 0.00 0.83 0.04 3.23 2.47 -1.20 0.12 114.38 119.87 1wu8 h ARG 24 Ca 0.00 -0.05 -0.25 0.00 -1.26 0.00 0.00 59.98 58.42 1wu8 h ARG 24 Cb 0.00 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.11 1wu8 h ARG 24 CO 0.00 0.55 -1.20 0.82 0.56 0.00 0.00 179.97 180.70 1wu8 h ILE 25 N 0.85 1.50 -1.96 2.04 2.04 -1.78 -3.41 117.51 116.79 1wu8 h ILE 25 Ca 0.29 -3.18 -0.42 0.00 1.00 0.00 0.00 64.86 62.54 1wu8 h ILE 25 Cb 0.04 2.81 -0.31 0.00 -0.74 0.00 0.00 36.82 38.62 1wu8 h ILE 25 CO -0.12 0.88 -0.77 0.21 0.00 0.00 0.00 178.15 178.36 1wu8 s ASN 26 N -6.77 0.88 0.52 1.72 3.04 -1.15 -4.92 114.94 108.25 1wu8 s ASN 26 Ca -0.02 -2.20 0.35 0.00 0.04 0.00 0.00 52.86 51.03 1wu8 s ASN 26 Cb 0.09 0.39 1.86 0.00 -1.54 0.00 0.00 41.25 42.05 1wu8 s ASN 26 CO 0.84 -0.19 2.06 1.55 -3.04 0.00 0.00 177.10 178.32 1wu8 h PRO 27 N 6.14 0.00 -0.44 0.43 0.13 -1.01 -2.42 132.00 134.83 1wu8 h PRO 27 Ca 0.13 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.04 1wu8 h PRO 27 Cb 1.01 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.00 1wu8 h PRO 27 CO 0.23 0.00 0.01 0.27 -0.23 0.00 0.00 178.00 178.28 1wu8 n ASN 28 N -2.73 2.62 -4.74 1.44 0.23 -1.26 -4.98 115.26 105.84 1wu8 n ASN 28 Ca -0.02 -3.77 -0.41 0.00 -0.53 0.00 0.00 54.58 49.85 1wu8 n ASN 28 Cb 0.07 -0.67 -0.05 0.00 -2.08 0.00 0.00 39.78 37.06 1wu8 n ASN 28 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wu8 s ALA 29 N -3.26 3.31 -0.49 -2.53 0.00 -0.91 -5.00 121.76 112.88 1wu8 s ALA 29 Ca 0.46 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 1wu8 s ALA 29 Cb 0.42 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 20.30 1wu8 s ALA 29 CO 0.01 -0.02 0.65 0.21 0.00 0.00 0.00 175.76 176.61 1wu8 s LYS 30 N -0.51 3.18 -0.26 0.00 2.20 -1.26 -5.01 119.74 118.09 1wu8 s LYS 30 Ca 0.46 -0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 55.28 1wu8 s LYS 30 Cb -0.26 -4.04 -0.05 0.00 -1.51 0.00 0.00 37.83 31.96 1wu8 s LYS 30 CO 0.32 -1.17 0.18 0.42 -0.36 0.00 0.00 175.35 174.74 1wu8 s ILE 31 N 2.78 5.34 -0.22 5.43 1.01 -1.26 -0.76 121.20 133.51 1wu8 s ILE 31 Ca 0.18 0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.97 1wu8 s ILE 31 Cb -0.17 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1wu8 s ILE 31 CO 0.15 0.31 -0.02 -0.69 0.00 0.00 0.00 174.94 174.69 1wu8 s VAL 32 N 1.34 3.60 -0.24 2.92 1.01 0.13 -4.97 120.40 124.19 1wu8 s VAL 32 Ca 0.07 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 1wu8 s VAL 32 Cb -0.15 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1wu8 s VAL 32 CO 0.07 0.41 1.01 -1.81 0.00 0.00 0.00 175.10 174.78 1wu8 s ASP 33 N 1.47 7.04 -0.02 3.32 1.01 -1.26 -0.75 116.67 127.48 1wu8 s ASP 33 Ca 0.06 1.29 -0.01 0.00 0.71 0.00 0.00 52.55 54.60 1wu8 s ASP 33 Cb -0.14 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.26 1wu8 s ASP 33 CO -0.01 -0.67 -0.01 0.58 0.21 0.00 0.00 175.17 175.27 1wu8 h VAL 34 N 5.48 0.00 -2.74 -1.27 2.07 -1.40 -3.47 116.25 114.93 1wu8 h VAL 34 Ca -0.20 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1wu8 h VAL 34 Cb 1.06 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.70 1wu8 h VAL 34 CO 0.97 0.00 0.20 0.28 0.02 0.00 0.00 177.57 179.04 1wu8 s THR 35 N -1.13 0.00 -0.00 2.57 -1.32 -1.16 -5.02 115.64 109.58 1wu8 s THR 35 Ca -0.01 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1wu8 s THR 35 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1wu8 s THR 35 CO 0.01 -0.00 0.71 1.41 -2.21 0.00 0.00 174.62 174.54 1wu8 n HIS 36 N -0.04 0.00 -1.02 9.09 8.25 -1.24 -1.39 115.22 128.87 1wu8 n HIS 36 Ca -0.18 -0.20 0.04 0.00 -0.26 0.00 0.00 57.72 57.12 1wu8 n HIS 36 Cb 0.63 -0.02 0.31 0.00 1.12 0.00 0.00 29.99 32.03 1wu8 n HIS 36 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wu8 n SER 37 N -0.21 4.53 -4.75 0.41 7.64 -1.21 -0.88 113.62 119.15 1wu8 n SER 37 Ca 0.00 -3.10 -0.41 0.00 1.01 0.00 0.00 58.87 56.37 1wu8 n SER 37 Cb 0.41 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 62.95 1wu8 n SER 37 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wu8 s VAL 38 N -2.88 2.19 0.01 0.44 1.01 -1.13 -4.83 120.40 115.20 1wu8 s VAL 38 Ca 0.49 0.16 -0.38 0.00 0.00 0.00 0.00 61.98 62.25 1wu8 s VAL 38 Cb 0.39 -3.10 -0.17 0.00 0.00 0.00 0.00 36.38 33.49 1wu8 s VAL 38 CO 0.11 0.03 1.33 0.41 0.00 0.00 0.00 175.10 176.98 1wu8 n THR 39 N 1.95 0.03 -1.57 3.92 -1.04 -1.26 -4.46 114.28 111.86 1wu8 n THR 39 Ca 0.07 -0.01 -0.60 0.00 -2.04 0.00 0.00 64.05 61.47 1wu8 n THR 39 Cb 0.38 -0.67 -0.08 0.00 -1.82 0.00 0.00 70.33 68.14 1wu8 n THR 39 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1wu8 n ARG 40 N 2.64 0.15 -0.68 -2.82 1.85 -1.26 -0.38 116.66 116.16 1wu8 n ARG 40 Ca 0.20 0.06 0.00 0.00 -1.00 0.00 0.00 57.85 57.11 1wu8 n ARG 40 Cb 0.15 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 29.98 1wu8 n ARG 40 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1wu8 n HIS 41 N 2.27 0.00 -2.43 2.89 8.25 -1.26 -4.91 115.22 120.04 1wu8 n HIS 41 Ca 0.22 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.30 1wu8 n HIS 41 Cb 0.06 -1.49 -0.03 0.00 1.12 0.00 0.00 29.99 29.64 1wu8 n HIS 41 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wu8 s SER 42 N -2.07 6.10 0.21 0.41 0.15 0.48 -4.82 113.70 114.16 1wu8 s SER 42 Ca 0.00 -0.99 -0.08 0.00 0.70 0.00 0.00 55.95 55.58 1wu8 s SER 42 Cb 0.00 -2.56 0.16 0.00 -1.71 0.00 0.00 66.02 61.90 1wu8 s SER 42 CO 0.00 -1.86 1.75 0.40 1.20 0.00 0.00 173.24 174.73 1wu8 h ILE 43 N 6.74 1.26 -0.24 6.45 2.04 -1.89 -1.71 117.51 130.16 1wu8 h ILE 43 Ca 0.06 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1wu8 h ILE 43 Cb 1.03 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1wu8 h ILE 43 CO 1.35 0.36 0.13 0.25 0.00 0.00 0.00 178.15 180.23 1wu8 h LEU 44 N 1.11 0.31 -0.58 1.44 5.85 -1.93 0.24 115.31 121.75 1wu8 h LEU 44 Ca 0.24 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1wu8 h LEU 44 Cb 0.30 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1wu8 h LEU 44 CO -0.01 0.32 0.12 -0.33 -0.34 0.00 0.00 178.44 178.20 1wu8 h GLU 45 N 0.27 0.95 -0.83 1.25 5.08 -1.75 -0.28 114.58 119.28 1wu8 h GLU 45 Ca 0.08 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1wu8 h GLU 45 Cb 0.09 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1wu8 h GLU 45 CO -0.01 0.89 0.52 0.78 -1.00 0.00 0.00 179.01 180.19 1wu8 h GLY 46 N 0.86 1.19 1.06 -3.84 0.00 -1.05 -0.68 103.07 100.61 1wu8 h GLY 46 Ca 0.18 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1wu8 h GLY 46 CO 0.01 0.46 -0.12 0.23 0.00 0.00 0.00 176.54 177.12 1wu8 h SER 47 N 1.14 0.95 -0.28 0.19 0.87 0.13 -3.03 113.55 113.52 1wu8 h SER 47 Ca 0.30 -0.36 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1wu8 h SER 47 Cb -0.08 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.61 1wu8 h SER 47 CO -0.06 1.09 0.12 0.15 -0.53 0.00 0.00 176.83 177.60 1wu8 h PHE 48 N 0.79 0.42 0.00 2.24 3.04 -0.53 -0.92 116.94 121.98 1wu8 h PHE 48 Ca 0.12 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1wu8 h PHE 48 Cb 0.68 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1wu8 h PHE 48 CO 0.05 0.40 0.00 0.28 -2.02 0.00 0.00 178.31 177.02 1wu8 n VAL 49 N -4.77 0.00 0.00 1.41 0.31 -0.31 -1.99 118.33 112.97 1wu8 n VAL 49 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1wu8 n VAL 49 Cb 0.12 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1wu8 n VAL 49 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1wu8 n GLU 51 N 0.16 0.00 -0.07 5.55 2.13 -0.35 -2.28 120.64 125.79 1wu8 n GLU 51 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1wu8 n GLU 51 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1wu8 n GLU 51 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1wu8 h GLN 52 N 0.00 0.39 -0.55 5.31 1.08 -1.67 -2.44 115.11 117.23 1wu8 h GLN 52 Ca 0.00 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1wu8 h GLN 52 Cb 0.00 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 1wu8 h GLN 52 CO 0.00 0.63 0.28 0.28 -0.95 0.00 0.00 178.83 179.07 1wu8 h VAL 53 N 0.12 1.20 -0.56 -0.54 2.07 -1.74 -2.31 116.25 114.49 1wu8 h VAL 53 Ca 0.05 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1wu8 h VAL 53 Cb 0.49 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1wu8 h VAL 53 CO 0.02 0.22 0.37 0.58 0.02 0.00 0.00 177.57 178.78 1wu8 h VAL 54 N 0.74 1.09 -0.01 2.57 2.07 -1.82 -1.75 116.25 119.14 1wu8 h VAL 54 Ca 0.19 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1wu8 h VAL 54 Cb 0.10 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1wu8 h VAL 54 CO -0.03 0.12 -0.03 0.11 0.02 0.00 0.00 177.57 177.77 1wu8 h LYS 55 N 0.68 0.01 -0.07 1.57 1.57 -0.90 -2.96 116.57 116.47 1wu8 h LYS 55 Ca 0.22 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1wu8 h LYS 55 Cb 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1wu8 h LYS 55 CO -0.06 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.52 1wu8 n TYR 56 N -4.50 0.07 -2.80 -1.35 4.01 -0.85 -5.01 117.16 106.73 1wu8 n TYR 56 Ca -0.03 -0.07 -0.35 0.00 -0.16 0.00 0.00 57.90 57.29 1wu8 n TYR 56 Cb 0.12 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.08 1wu8 n TYR 56 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1wu8 s SER 57 N -0.97 7.08 0.48 7.72 0.01 -0.72 -5.02 113.70 122.27 1wu8 s SER 57 Ca 0.15 1.75 -0.23 0.00 1.31 0.00 0.00 55.95 58.93 1wu8 s SER 57 Cb 0.10 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 1wu8 s SER 57 CO 0.15 -0.26 1.30 -2.84 0.41 0.00 0.00 173.24 172.00 1wu8 s PRO 58 N -2.76 3.55 0.46 12.44 0.02 -1.26 -4.94 135.00 142.51 1wu8 s PRO 58 Ca 0.58 2.11 -0.25 0.00 0.02 0.00 0.00 61.00 63.45 1wu8 s PRO 58 Cb -0.13 -2.45 -0.08 0.00 0.02 0.00 0.00 34.50 31.86 1wu8 s PRO 58 CO 0.17 -0.82 1.43 1.63 -0.33 0.00 0.00 177.00 179.08 1wu8 n LYS 59 N -0.54 2.21 -0.03 5.54 4.76 -1.26 -2.13 118.16 126.72 1wu8 n LYS 59 Ca 0.07 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 56.30 1wu8 n LYS 59 Cb 0.45 -2.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.01 1wu8 n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wu8 n GLY 60 N 0.59 0.40 3.77 0.72 0.00 -0.86 -5.03 105.19 104.78 1wu8 n GLY 60 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1wu8 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wu8 s THR 61 N -2.14 2.82 -0.20 2.61 2.01 -0.90 -4.78 115.64 115.05 1wu8 s THR 61 Ca 0.00 0.64 -0.05 0.00 0.31 0.00 0.00 61.69 62.59 1wu8 s THR 61 Cb 0.00 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1wu8 s THR 61 CO 0.00 0.02 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.25 1wu8 s VAL 62 N -1.44 3.97 -0.26 3.82 1.01 -1.26 -1.31 120.40 124.93 1wu8 s VAL 62 Ca 0.64 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1wu8 s VAL 62 Cb -0.33 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1wu8 s VAL 62 CO 0.40 0.44 -0.03 -1.00 0.00 0.00 0.00 175.10 174.91 1wu8 s HIS 63 N 0.92 3.08 -0.22 5.22 3.76 -0.30 -0.49 115.29 127.25 1wu8 s HIS 63 Ca 0.01 -1.38 -0.11 0.00 -0.15 0.00 0.00 55.06 53.43 1wu8 s HIS 63 Cb -0.14 -2.11 -0.05 0.00 1.11 0.00 0.00 32.58 31.39 1wu8 s HIS 63 CO 0.02 -0.68 0.18 0.08 -0.85 0.00 0.00 174.74 173.49 1wu8 s VAL 64 N 1.38 5.35 -0.08 -0.90 1.01 -0.56 -0.09 120.40 126.51 1wu8 s VAL 64 Ca 0.01 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1wu8 s VAL 64 Cb -0.17 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1wu8 s VAL 64 CO -0.03 0.36 -0.15 -0.83 0.00 0.00 0.00 175.10 174.46 1wu8 s GLY 65 N 0.87 0.95 -0.43 4.51 0.00 -0.23 -1.91 107.32 111.08 1wu8 s GLY 65 Ca 0.09 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.24 1wu8 s GLY 65 CO 0.03 0.12 0.30 0.14 0.00 0.00 0.00 173.10 173.69 1wu8 s VAL 66 N 0.76 0.75 -0.47 1.40 1.01 0.12 -4.21 120.40 119.76 1wu8 s VAL 66 Ca -0.12 -2.51 0.01 0.00 0.00 0.00 0.00 61.98 59.36 1wu8 s VAL 66 Cb -0.16 -1.53 0.12 0.00 0.00 0.00 0.00 36.38 34.82 1wu8 s VAL 66 CO 0.02 -1.07 0.23 -0.63 0.00 0.00 0.00 175.10 173.65 1wu8 s ILE 67 N 0.27 2.88 -0.66 2.22 1.09 -1.26 -3.35 121.20 122.38 1wu8 s ILE 67 Ca 0.25 -2.71 0.05 0.00 -1.10 0.00 0.00 60.65 57.14 1wu8 s ILE 67 Cb -0.11 -2.99 0.20 0.00 -1.06 0.00 0.00 42.46 38.50 1wu8 s ILE 67 CO -0.09 -0.74 0.58 -0.67 -0.10 0.00 0.00 174.94 173.92 1wu8 n ASP 68 N 3.81 3.03 0.19 3.58 4.64 -1.26 -4.88 116.55 125.67 1wu8 n ASP 68 Ca 0.04 -3.24 0.03 0.00 -1.38 0.00 0.00 54.79 50.24 1wu8 n ASP 68 Cb 0.38 -0.71 0.37 0.00 -1.04 0.00 0.00 41.12 40.12 1wu8 n ASP 68 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1wu8 h PRO 69 N 4.93 0.00 -0.71 -0.67 0.13 -1.96 -2.63 132.00 131.10 1wu8 h PRO 69 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1wu8 h PRO 69 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1wu8 h PRO 69 CO 0.74 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 179.28 1wu8 n GLY 70 N -0.38 1.87 3.63 1.56 0.00 -1.26 -4.96 105.19 105.64 1wu8 n GLY 70 Ca -0.02 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 1wu8 n GLY 70 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wu8 n VAL 71 N 0.34 2.15 0.00 1.61 3.14 -0.99 -1.56 118.33 123.02 1wu8 n VAL 71 Ca 0.13 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 1wu8 n VAL 71 Cb 0.61 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.18 1wu8 n VAL 71 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wu8 n GLY 72 N 1.08 3.08 0.00 7.55 0.00 -1.06 -4.85 105.19 110.99 1wu8 n GLY 72 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1wu8 n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wu8 n THR 73 N -2.00 0.00 -0.10 2.61 -2.24 -0.60 -4.96 114.28 106.99 1wu8 n THR 73 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1wu8 n THR 73 Cb 0.00 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.45 1wu8 n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wu8 n GLU 74 N 0.00 2.57 -2.06 -0.78 1.02 -1.26 -4.97 120.64 115.16 1wu8 n GLU 74 Ca 0.00 -2.28 -0.38 0.00 -0.02 0.00 0.00 57.16 54.49 1wu8 n GLU 74 Cb 0.00 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 1wu8 n GLU 74 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1wu8 s ARG 75 N -1.10 3.53 0.31 3.49 1.04 -1.26 -4.98 118.95 119.98 1wu8 s ARG 75 Ca 0.36 1.97 -0.24 0.00 -1.04 0.00 0.00 55.73 56.78 1wu8 s ARG 75 Cb 0.19 -2.37 -0.10 0.00 -2.04 0.00 0.00 34.95 30.64 1wu8 s ARG 75 CO 0.26 -0.79 0.90 1.03 -0.04 0.00 0.00 175.30 176.65 1wu8 s ARG 76 N -2.75 4.49 -0.29 3.89 0.52 -1.26 -4.88 118.95 118.66 1wu8 s ARG 76 Ca 0.66 1.21 -0.11 0.00 -0.52 0.00 0.00 55.73 56.97 1wu8 s ARG 76 Cb -0.34 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 1wu8 s ARG 76 CO 0.41 0.28 0.19 0.00 0.02 0.00 0.00 175.30 176.20 1wu8 s ALA 77 N -1.63 3.50 0.34 2.13 0.00 -1.26 0.84 121.76 125.67 1wu8 s ALA 77 Ca 0.49 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 51.37 1wu8 s ALA 77 Cb -0.18 -2.50 -0.07 0.00 0.00 0.00 0.00 23.12 20.38 1wu8 s ALA 77 CO 0.22 -0.66 -0.07 0.96 0.00 0.00 0.00 175.76 176.22 1wu8 s ILE 78 N 1.74 2.06 -0.09 0.00 -4.36 -0.73 0.13 121.20 119.95 1wu8 s ILE 78 Ca 0.07 -2.16 0.01 0.00 -0.26 0.00 0.00 60.65 58.31 1wu8 s ILE 78 Cb -0.16 -2.66 0.02 0.00 1.25 0.00 0.00 42.46 40.90 1wu8 s ILE 78 CO 0.10 -0.19 -0.09 -0.69 0.24 0.00 0.00 174.94 174.31 1wu8 s VAL 79 N -2.72 1.03 -0.31 8.37 1.01 0.74 -2.05 120.40 126.46 1wu8 s VAL 79 Ca 0.32 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1wu8 s VAL 79 Cb 0.04 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1wu8 s VAL 79 CO 0.16 0.35 0.11 -0.63 0.00 0.00 0.00 175.10 175.08 1wu8 s ILE 80 N 1.17 4.06 -0.25 2.22 1.01 0.55 -0.20 121.20 129.77 1wu8 s ILE 80 Ca -0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 1wu8 s ILE 80 Cb -0.14 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1wu8 s ILE 80 CO -0.02 -0.01 0.20 -0.70 0.00 0.00 0.00 174.94 174.40 1wu8 s GLU 81 N 1.50 4.05 0.00 2.79 2.12 0.39 -1.55 118.70 128.00 1wu8 s GLU 81 Ca 0.02 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1wu8 s GLU 81 Cb -0.18 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.64 1wu8 s GLU 81 CO 0.03 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1wu8 n GLY 82 N 4.43 2.70 0.31 -1.50 0.00 -1.26 -0.12 105.19 109.75 1wu8 n GLY 82 Ca -0.14 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1wu8 n GLY 82 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wu8 h ASP 83 N 0.00 0.19 -5.41 1.61 3.58 -1.52 -3.42 116.42 111.45 1wu8 h ASP 83 Ca 0.00 0.17 -0.48 0.00 0.42 0.00 0.00 57.03 57.14 1wu8 h ASP 83 Cb 0.00 0.19 -0.13 0.00 1.72 0.00 0.00 39.33 41.11 1wu8 h ASP 83 CO 0.00 -0.07 -0.50 -1.10 -2.88 0.00 0.00 179.24 174.69 1wu8 s GLN 84 N -5.91 1.78 0.14 0.28 -0.21 -1.26 -2.03 119.66 112.45 1wu8 s GLN 84 Ca -0.12 -2.04 0.09 0.00 0.02 0.00 0.00 55.36 53.31 1wu8 s GLN 84 Cb 0.25 0.16 -0.04 0.00 1.00 0.00 0.00 33.01 34.39 1wu8 s GLN 84 CO 0.77 -0.62 -0.16 0.71 -2.12 0.00 0.00 175.29 173.87 1wu8 s TYR 85 N -3.42 2.55 -0.09 0.91 1.51 -0.43 -4.62 117.35 113.75 1wu8 s TYR 85 Ca 0.38 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.18 1wu8 s TYR 85 Cb 0.02 -1.32 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 1wu8 s TYR 85 CO 0.25 0.42 -0.08 -0.51 -1.11 0.00 0.00 175.55 174.52 1wu8 s LEU 86 N -2.33 1.27 -0.36 -1.29 1.43 -0.60 -1.16 118.68 115.65 1wu8 s LEU 86 Ca 0.20 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1wu8 s LEU 86 Cb -0.10 -0.78 0.10 0.00 0.03 0.00 0.00 46.19 45.44 1wu8 s LEU 86 CO 0.11 -0.08 0.09 -0.69 0.23 0.00 0.00 176.35 176.01 1wu8 s VAL 87 N 1.41 2.73 0.21 -1.59 1.01 0.88 -0.33 120.40 124.72 1wu8 s VAL 87 Ca -0.01 -2.09 -0.10 0.00 0.00 0.00 0.00 61.98 59.78 1wu8 s VAL 87 Cb -0.13 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1wu8 s VAL 87 CO -0.04 -0.55 0.35 0.68 0.00 0.00 0.00 175.10 175.54 1wu8 s VAL 88 N 1.04 0.02 0.39 2.92 -7.23 -0.87 -1.07 120.40 115.61 1wu8 s VAL 88 Ca 0.07 -1.47 -0.25 0.00 -1.81 0.00 0.00 61.98 58.53 1wu8 s VAL 88 Cb -0.21 -2.09 -0.09 0.00 0.56 0.00 0.00 36.38 34.55 1wu8 s VAL 88 CO -0.06 -0.11 1.07 -2.84 -0.31 0.00 0.00 175.10 172.85 1wu8 s PRO 89 N -4.02 4.20 -1.37 4.82 0.02 -1.26 -1.78 135.00 135.62 1wu8 s PRO 89 Ca 0.23 1.59 -0.16 0.00 0.02 0.00 0.00 61.00 62.67 1wu8 s PRO 89 Cb 0.02 -2.63 0.04 0.00 0.02 0.00 0.00 34.50 31.95 1wu8 s PRO 89 CO 0.06 -0.12 2.01 -3.47 -0.33 0.00 0.00 177.00 175.15 1wu8 n ASP 90 N 0.09 4.26 -0.35 2.53 2.03 0.25 -4.37 116.55 120.99 1wu8 n ASP 90 Ca 0.04 -2.87 0.02 0.00 0.52 0.00 0.00 54.79 52.51 1wu8 n ASP 90 Cb 0.49 -1.68 0.03 0.00 -0.72 0.00 0.00 41.12 39.23 1wu8 n ASP 90 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1wu8 n ASN 91 N 7.26 0.58 0.00 1.67 0.23 -1.26 -4.47 115.26 119.27 1wu8 n ASN 91 Ca 0.51 -2.17 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 1wu8 n ASN 91 Cb 0.42 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 1wu8 n ASN 91 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wu8 n GLY 92 N -0.34 0.77 0.34 4.83 0.00 -1.16 -4.91 105.19 104.73 1wu8 n GLY 92 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.23 1wu8 n GLY 92 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wu8 h LEU 93 N 0.00 0.00 0.00 0.99 5.85 -1.83 -1.74 115.31 118.58 1wu8 h LEU 93 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wu8 h LEU 93 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1wu8 h LEU 93 CO 0.00 0.00 -0.31 0.00 -0.34 0.00 0.00 178.44 177.79 1wu8 n ALA 94 N -2.24 2.84 -0.08 1.25 0.00 -1.26 -4.36 120.51 116.66 1wu8 n ALA 94 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 1wu8 n ALA 94 Cb 0.29 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1wu8 n ALA 94 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wu8 h THR 95 N 0.00 0.00 -0.14 0.00 2.02 -1.60 -0.06 112.91 113.13 1wu8 h THR 95 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1wu8 h THR 95 Cb 0.61 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1wu8 h THR 95 CO 0.00 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.84 1wu8 h LEU 96 N -0.01 0.00 -1.14 2.58 3.38 -1.81 -2.88 115.31 115.42 1wu8 h LEU 96 Ca 0.03 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1wu8 h LEU 96 Cb 0.09 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1wu8 h LEU 96 CO -0.18 0.02 0.59 -0.65 0.09 0.00 0.00 178.44 178.31 1wu8 h PRO 97 N 0.08 1.01 -0.07 1.13 0.11 -1.69 -1.37 132.00 131.19 1wu8 h PRO 97 Ca 0.06 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.13 1wu8 h PRO 97 Cb 0.05 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 30.93 1wu8 h PRO 97 CO -0.08 0.67 0.16 -0.07 -0.21 0.00 0.00 178.00 178.46 1wu8 h LEU 98 N 1.04 0.00 -2.29 2.35 3.38 -0.78 -0.68 115.31 118.33 1wu8 h LEU 98 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1wu8 h LEU 98 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1wu8 h LEU 98 CO -0.14 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.50 1wu8 h LYS 99 N 0.00 0.00 0.00 1.13 1.57 -1.27 -2.77 116.57 115.23 1wu8 h LYS 99 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1wu8 h LYS 99 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1wu8 h LYS 99 CO -0.00 0.00 -0.21 0.72 -0.57 0.00 0.00 179.45 179.39 1wu8 n HIS 100 N -2.99 0.00 -4.58 -1.35 8.25 -0.26 -5.01 115.22 109.27 1wu8 n HIS 100 Ca -0.01 -1.14 -0.24 0.00 -0.26 0.00 0.00 57.72 56.06 1wu8 n HIS 100 Cb 0.15 -0.18 -0.16 0.00 1.12 0.00 0.00 29.99 30.92 1wu8 n HIS 100 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1wu8 s ILE 101 N -2.88 1.11 -0.83 1.59 1.01 -1.05 -4.96 121.20 115.19 1wu8 s ILE 101 Ca 0.33 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.26 1wu8 s ILE 101 Cb 0.31 -1.02 0.05 0.00 0.01 0.00 0.00 42.46 41.81 1wu8 s ILE 101 CO -0.01 0.35 1.27 -0.75 0.00 0.00 0.00 174.94 175.80 1wu8 s LYS 102 N 0.60 3.34 0.19 2.79 2.20 -1.26 -4.88 119.74 122.72 1wu8 s LYS 102 Ca -0.13 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 54.43 1wu8 s LYS 102 Cb -0.15 -4.63 -0.08 0.00 -1.51 0.00 0.00 37.83 31.46 1wu8 s LYS 102 CO 0.03 -2.08 1.22 0.08 -0.36 0.00 0.00 175.35 174.24 1wu8 s VAL 103 N 4.96 3.48 -0.17 4.02 1.01 -1.26 -1.26 120.40 131.19 1wu8 s VAL 103 Ca 0.36 1.25 -0.09 0.00 0.00 0.00 0.00 61.98 63.50 1wu8 s VAL 103 Cb -0.07 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 1wu8 s VAL 103 CO 0.04 0.20 -0.23 1.17 0.00 0.00 0.00 175.10 176.28 1wu8 n LYS 104 N 2.48 0.37 -3.84 2.72 4.81 0.83 -4.94 118.16 120.58 1wu8 n LYS 104 Ca 0.05 0.16 -0.09 0.00 -0.87 0.00 0.00 58.31 57.55 1wu8 n LYS 104 Cb 0.44 -1.12 -0.05 0.00 0.02 0.00 0.00 35.03 34.32 1wu8 n LYS 104 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1wu8 s SER 105 N -6.52 -0.14 0.02 3.14 0.01 -0.48 -5.02 113.70 104.71 1wu8 s SER 105 Ca -0.24 -0.66 0.04 0.00 1.31 0.00 0.00 55.95 56.40 1wu8 s SER 105 Cb 0.09 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.83 1wu8 s SER 105 CO 0.31 -1.01 -0.11 -0.69 0.41 0.00 0.00 173.24 172.15 1wu8 s VAL 106 N -3.92 0.87 0.00 3.43 1.01 -1.26 -0.46 120.40 120.07 1wu8 s VAL 106 Ca 0.13 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1wu8 s VAL 106 Cb 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1wu8 s VAL 106 CO -0.01 0.06 -0.06 -0.31 0.00 0.00 0.00 175.10 174.78 1wu8 s TYR 107 N -0.62 0.51 -0.20 5.22 2.02 0.71 -1.84 117.35 123.16 1wu8 s TYR 107 Ca 0.01 -0.16 -0.16 0.00 -0.37 0.00 0.00 57.07 56.39 1wu8 s TYR 107 Cb -0.06 -0.32 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 1wu8 s TYR 107 CO 0.00 -0.02 0.40 -2.00 -1.57 0.00 0.00 175.55 172.37 1wu8 s GLU 108 N -0.37 4.18 0.30 -0.62 2.12 -0.11 -0.19 118.70 124.01 1wu8 s GLU 108 Ca -0.00 0.22 -0.29 0.00 0.36 0.00 0.00 54.97 55.26 1wu8 s GLU 108 Cb -0.03 -3.53 -0.10 0.00 0.26 0.00 0.00 34.13 30.73 1wu8 s GLU 108 CO -0.00 -0.03 1.19 0.42 -0.54 0.00 0.00 175.26 176.31 1wu8 s ILE 109 N 1.27 3.16 -0.38 -3.70 1.01 0.34 -0.99 121.20 121.91 1wu8 s ILE 109 Ca 0.20 1.16 -0.09 0.00 0.00 0.00 0.00 60.65 61.92 1wu8 s ILE 109 Cb -0.15 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.64 1wu8 s ILE 109 CO 0.08 0.27 0.19 -0.63 0.00 0.00 0.00 174.94 174.85 1wu8 s ILE 110 N -1.08 4.14 0.32 2.92 1.01 -0.44 -4.70 121.20 123.37 1wu8 s ILE 110 Ca 0.47 -1.18 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1wu8 s ILE 110 Cb -0.35 -3.42 0.39 0.00 0.01 0.00 0.00 42.46 39.09 1wu8 s ILE 110 CO 0.46 -0.32 1.58 -0.65 0.00 0.00 0.00 174.94 176.00 1wu8 h PRO 111 N 8.34 0.03 -0.40 2.79 0.11 -1.95 0.92 132.00 141.85 1wu8 h PRO 111 Ca -0.23 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.81 1wu8 h PRO 111 Cb 1.09 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1wu8 h PRO 111 CO 0.68 0.02 -0.00 -0.44 -0.21 0.00 0.00 178.00 178.04 1wu8 h ASP 112 N 0.03 0.60 -0.17 -2.05 3.45 -1.95 -1.39 116.42 114.94 1wu8 h ASP 112 Ca 0.65 -0.13 -0.19 0.00 0.43 0.00 0.00 57.03 57.79 1wu8 h ASP 112 Cb 1.46 -0.16 0.01 0.00 -0.56 0.00 0.00 39.33 40.08 1wu8 h ASP 112 CO -0.86 0.68 -0.63 0.11 -1.57 0.00 0.00 179.24 176.97 1wu8 h LYS 113 N 0.60 0.73 -0.57 3.56 1.57 -1.15 -3.05 116.57 118.27 1wu8 h LYS 113 Ca 0.12 -0.56 -0.04 0.00 -1.87 0.00 0.00 60.65 58.31 1wu8 h LYS 113 Cb 0.39 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1wu8 h LYS 113 CO 0.01 1.18 0.20 0.82 -0.57 0.00 0.00 179.45 181.09 1wu8 h ILE 114 N 0.44 1.21 0.00 1.86 1.08 -1.12 -1.09 117.51 119.89 1wu8 h ILE 114 Ca -0.03 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1wu8 h ILE 114 Cb 1.26 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1wu8 h ILE 114 CO 0.13 0.27 0.00 -0.09 -0.69 0.00 0.00 178.15 177.77 1wu8 h ARG 115 N 0.82 0.00 -0.15 2.37 2.43 -1.27 -1.66 114.38 116.92 1wu8 h ARG 115 Ca 0.19 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1wu8 h ARG 115 Cb 0.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1wu8 h ARG 115 CO -0.01 0.00 -0.27 0.87 -1.51 0.00 0.00 179.97 179.04 1wu8 h LYS 116 N 0.00 0.27 0.00 0.20 1.57 -1.08 -1.58 116.57 115.95 1wu8 h LYS 116 Ca 0.00 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 1wu8 h LYS 116 Cb 0.44 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1wu8 h LYS 116 CO 0.00 0.53 -1.25 0.74 -0.57 0.00 0.00 179.45 178.90 1wu8 h PHE 117 N 0.24 0.00 0.05 -1.35 -1.00 -1.31 -3.40 116.94 110.17 1wu8 h PHE 117 Ca 0.04 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.54 1wu8 h PHE 117 Cb 0.62 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.15 1wu8 h PHE 117 CO 0.01 0.65 -1.48 1.79 -1.61 0.00 0.00 178.31 177.67 1wu8 h THR 118 N 0.00 0.84 0.00 -1.55 1.35 -1.26 -3.49 112.91 108.81 1wu8 h THR 118 Ca -0.14 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 1wu8 h THR 118 Cb 1.62 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 70.38 1wu8 h THR 118 CO 0.06 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1wu8 n GLY 119 N 1.62 3.28 3.85 5.82 0.00 -0.60 -5.05 105.19 114.11 1wu8 n GLY 119 Ca -0.31 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1wu8 n GLY 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1wu8 s TRP 120 N -2.74 3.09 0.50 1.61 -2.14 -1.26 -5.08 118.94 112.91 1wu8 s TRP 120 Ca 0.00 -0.15 -0.21 0.00 2.66 0.00 0.00 56.10 58.40 1wu8 s TRP 120 Cb 0.00 -1.52 -0.07 0.00 -3.10 0.00 0.00 33.47 28.78 1wu8 s TRP 120 CO 0.00 0.42 1.14 -2.00 -2.66 0.00 0.00 176.95 173.85 1wu8 s GLU 121 N -3.90 3.58 -0.38 3.25 2.12 -1.26 -4.87 118.70 117.25 1wu8 s GLU 121 Ca 0.35 1.68 -0.21 0.00 0.36 0.00 0.00 54.97 57.15 1wu8 s GLU 121 Cb -0.08 -2.21 0.01 0.00 0.26 0.00 0.00 34.13 32.11 1wu8 s GLU 121 CO 0.26 -0.67 0.68 0.42 -0.54 0.00 0.00 175.26 175.41 1wu8 s ILE 122 N -1.67 4.82 1.01 -3.70 1.01 -1.26 -4.97 121.20 116.45 1wu8 s ILE 122 Ca 0.68 0.54 -0.12 0.00 0.00 0.00 0.00 60.65 61.74 1wu8 s ILE 122 Cb -0.26 -4.15 0.20 0.00 0.01 0.00 0.00 42.46 38.25 1wu8 s ILE 122 CO 0.30 -0.44 1.09 -0.94 0.00 0.00 0.00 174.94 174.95 1wu8 s SER 123 N 1.88 2.47 0.07 3.58 1.04 -1.26 -4.98 113.70 116.49 1wu8 s SER 123 Ca 0.26 1.22 0.22 0.00 0.48 0.00 0.00 55.95 58.13 1wu8 s SER 123 Cb -0.14 -1.89 -0.17 0.00 0.10 0.00 0.00 66.02 63.91 1wu8 s SER 123 CO 0.17 -3.23 0.75 -1.20 0.98 0.00 0.00 173.24 170.71 1wu8 n SER 124 N -4.25 0.40 -0.12 7.02 7.64 -1.26 -4.48 113.62 118.57 1wu8 n SER 124 Ca 0.05 0.09 0.04 0.00 1.01 0.00 0.00 58.87 60.06 1wu8 n SER 124 Cb 0.57 1.27 -0.01 0.00 -1.01 0.00 0.00 64.21 65.03 1wu8 n SER 124 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wu8 n THR 125 N -2.39 0.00 -3.26 0.44 -2.24 -1.26 -2.58 114.28 102.99 1wu8 n THR 125 Ca -0.02 -0.39 -0.25 0.00 -2.27 0.00 0.00 64.05 61.13 1wu8 n THR 125 Cb 0.55 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.77 1wu8 n THR 125 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1wu8 n PHE 126 N -0.59 1.47 0.28 4.78 7.35 -1.26 -4.91 117.46 124.58 1wu8 n PHE 126 Ca 0.03 -3.83 0.16 0.00 -0.76 0.00 0.00 57.45 53.04 1wu8 n PHE 126 Cb 0.15 -0.44 0.59 0.00 0.35 0.00 0.00 39.48 40.13 1wu8 n PHE 126 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1wu8 h HIS 127 N 3.93 0.00 -0.39 -5.13 3.86 -1.87 -2.85 115.15 112.69 1wu8 h HIS 127 Ca 0.13 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1wu8 h HIS 127 Cb 0.78 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 1wu8 h HIS 127 CO 0.54 0.00 0.05 0.78 0.86 0.00 0.00 177.93 180.15 1wu8 h GLY 128 N 2.41 0.64 1.35 2.45 0.00 -1.95 0.42 103.07 108.40 1wu8 h GLY 128 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 1wu8 h GLY 128 CO 0.00 0.35 -1.11 -0.09 0.00 0.00 0.00 176.54 175.68 1wu8 h ARG 129 N 0.58 0.00 0.00 4.80 2.43 -1.88 0.56 114.38 120.87 1wu8 h ARG 129 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1wu8 h ARG 129 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1wu8 h ARG 129 CO 0.01 0.39 -1.37 -0.25 -1.51 0.00 0.00 179.97 177.23 1wu8 n ASP 130 N -3.02 1.59 0.01 -3.80 10.43 -1.09 -4.62 116.55 116.05 1wu8 n ASP 130 Ca -0.06 -0.20 0.00 0.00 2.57 0.00 0.00 54.79 57.10 1wu8 n ASP 130 Cb 0.81 1.46 0.00 0.00 1.84 0.00 0.00 41.12 45.24 1wu8 n ASP 130 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1wu8 n ILE 131 N -1.81 0.10 0.01 0.53 5.41 0.14 -4.79 119.36 118.95 1wu8 n ILE 131 Ca -0.01 0.03 -0.10 0.00 1.00 0.00 0.00 62.75 63.68 1wu8 n ILE 131 Cb 0.32 -0.67 -0.03 0.00 -0.71 0.00 0.00 39.64 38.55 1wu8 n ILE 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1wu8 h PHE 132 N 0.00 -0.44 0.21 1.39 0.04 -1.34 -0.75 116.94 116.04 1wu8 h PHE 132 Ca 0.00 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1wu8 h PHE 132 Cb 0.00 0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1wu8 h PHE 132 CO 0.00 -0.24 -0.17 0.78 -0.60 0.00 0.00 178.31 178.08 1wu8 h GLY 133 N -0.22 -0.38 0.47 -1.45 0.00 -1.07 -1.44 103.07 98.97 1wu8 h GLY 133 Ca 0.09 0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.69 1wu8 h GLY 133 CO -0.24 -0.17 0.19 -2.55 0.00 0.00 0.00 176.54 173.77 1wu8 h PRO 134 N -0.39 0.36 -0.92 4.80 0.11 -1.75 -1.09 132.00 133.13 1wu8 h PRO 134 Ca -0.01 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.17 1wu8 h PRO 134 Cb 0.35 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.30 1wu8 h PRO 134 CO -0.02 0.24 0.56 0.00 -0.21 0.00 0.00 178.00 178.57 1wu8 h ALA 135 N 1.37 1.31 -0.33 -0.75 0.00 -0.90 0.10 119.26 120.06 1wu8 h ALA 135 Ca 0.27 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1wu8 h ALA 135 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1wu8 h ALA 135 CO -0.27 0.24 -0.03 0.78 0.00 0.00 0.00 179.25 179.97 1wu8 h GLY 136 N 0.96 0.65 1.30 0.00 0.00 -0.29 -2.55 103.07 103.14 1wu8 h GLY 136 Ca 0.43 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1wu8 h GLY 136 CO -0.22 0.46 0.29 0.00 0.00 0.00 0.00 176.54 177.06 1wu8 h ALA 137 N 0.83 1.31 0.00 3.60 0.00 -0.28 -2.09 119.26 122.64 1wu8 h ALA 137 Ca 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wu8 h ALA 137 Cb 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wu8 h ALA 137 CO 0.02 0.53 -0.00 -0.07 0.00 0.00 0.00 179.25 179.73 1wu8 h LEU 138 N 0.90 -0.00 -1.05 0.00 3.38 -0.66 -2.96 115.31 114.92 1wu8 h LEU 138 Ca 0.22 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1wu8 h LEU 138 Cb 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1wu8 h LEU 138 CO -0.03 0.22 0.64 0.40 0.09 0.00 0.00 178.44 179.76 1wu8 h ILE 139 N -0.23 1.15 -0.17 1.22 2.04 -1.29 -1.55 117.51 118.69 1wu8 h ILE 139 Ca -0.00 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.49 1wu8 h ILE 139 Cb 0.23 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1wu8 h ILE 139 CO 0.00 0.22 0.12 -0.33 0.00 0.00 0.00 178.15 178.16 1wu8 h GLU 140 N 1.21 0.03 -0.67 2.37 4.39 -1.25 -1.81 114.58 118.85 1wu8 h GLU 140 Ca 0.40 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1wu8 h GLU 140 Cb 0.05 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1wu8 h GLU 140 CO -0.13 0.02 0.00 0.36 -1.16 0.00 0.00 179.01 178.10 1wu8 n LYS 141 N -4.49 2.75 0.00 2.33 2.85 -0.61 -4.95 118.16 116.03 1wu8 n LYS 141 Ca 0.01 -2.45 0.00 0.00 -1.05 0.00 0.00 58.31 54.82 1wu8 n LYS 141 Cb 0.23 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 1wu8 n LYS 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wu8 n GLY 142 N 1.46 0.30 3.74 2.58 0.00 -0.68 -5.08 105.19 107.52 1wu8 n GLY 142 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1wu8 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wu8 s ILE 143 N -2.00 3.04 0.34 -0.61 -1.09 -1.02 -4.99 121.20 114.87 1wu8 s ILE 143 Ca 0.00 0.88 -0.25 0.00 -2.23 0.00 0.00 60.65 59.04 1wu8 s ILE 143 Cb 0.00 -3.56 -0.10 0.00 -1.58 0.00 0.00 42.46 37.22 1wu8 s ILE 143 CO 0.00 0.14 0.95 -1.00 -1.23 0.00 0.00 174.94 173.81 1wu8 s HIS 144 N -0.07 3.62 0.38 3.97 3.76 -1.26 -4.17 115.29 121.51 1wu8 s HIS 144 Ca 0.56 1.75 0.06 0.00 -0.15 0.00 0.00 55.06 57.29 1wu8 s HIS 144 Cb -0.38 -2.93 0.78 0.00 1.11 0.00 0.00 32.58 31.16 1wu8 s HIS 144 CO 0.41 0.11 2.01 -1.35 -0.85 0.00 0.00 174.74 175.06 1wu8 h PRO 145 N 2.98 0.66 -0.97 8.40 0.11 -1.97 -1.67 132.00 139.54 1wu8 h PRO 145 Ca -0.47 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 65.85 1wu8 h PRO 145 Cb 1.19 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.08 1wu8 h PRO 145 CO 0.64 0.44 0.66 0.93 -0.21 0.00 0.00 178.00 180.46 1wu8 h GLU 146 N 0.68 0.27 -0.19 1.05 3.07 -1.93 0.11 114.58 117.65 1wu8 h GLU 146 Ca 0.23 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.13 1wu8 h GLU 146 Cb 0.09 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1wu8 h GLU 146 CO -0.06 0.18 0.14 1.49 -1.40 0.00 0.00 179.01 179.36 1wu8 h GLU 147 N 0.28 0.00 0.00 2.33 4.57 -1.69 -3.13 114.58 116.94 1wu8 h GLU 147 Ca 0.51 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.65 1wu8 h GLU 147 Cb 1.49 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 30.00 1wu8 h GLU 147 CO -0.16 0.00 -0.51 1.97 -1.18 0.00 0.00 179.01 179.12 1wu8 n PHE 148 N -4.45 0.00 -3.85 0.92 -1.74 0.26 -4.96 117.46 103.64 1wu8 n PHE 148 Ca 0.02 -0.50 -0.07 0.00 -0.56 0.00 0.00 57.45 56.34 1wu8 n PHE 148 Cb 0.28 -0.12 -0.02 0.00 1.52 0.00 0.00 39.48 41.15 1wu8 n PHE 148 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1wu8 s GLY 149 N -1.88 -0.07 -0.09 4.97 0.00 -0.46 -1.33 107.32 108.46 1wu8 s GLY 149 Ca 0.19 -0.29 0.03 0.00 0.00 0.00 0.00 44.72 44.64 1wu8 s GLY 149 CO -0.04 -0.08 -0.19 1.09 0.00 0.00 0.00 173.10 173.89 1wu8 s ARG 150 N -3.73 2.95 0.62 2.90 1.70 -0.16 -4.49 118.95 118.75 1wu8 s ARG 150 Ca 0.12 -0.79 -0.19 0.00 -0.47 0.00 0.00 55.73 54.40 1wu8 s ARG 150 Cb -0.05 -2.40 -0.03 0.00 -0.57 0.00 0.00 34.95 31.90 1wu8 s ARG 150 CO 0.07 0.32 1.21 -1.91 -1.08 0.00 0.00 175.30 173.91 1wu8 n GLU 151 N 3.17 1.15 -4.03 3.89 2.13 -1.26 -0.93 120.64 124.77 1wu8 n GLU 151 Ca -0.18 0.45 -0.08 0.00 0.66 0.00 0.00 57.16 58.01 1wu8 n GLU 151 Cb 0.52 -2.44 -0.10 0.00 0.27 0.00 0.00 31.44 29.70 1wu8 n GLU 151 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1wu8 s ILE 152 N -1.40 0.19 0.21 6.31 -4.36 -0.77 -4.80 121.20 116.58 1wu8 s ILE 152 Ca 0.79 -1.55 -0.32 0.00 -0.26 0.00 0.00 60.65 59.31 1wu8 s ILE 152 Cb -0.40 -1.28 -0.12 0.00 1.25 0.00 0.00 42.46 41.91 1wu8 s ILE 152 CO 0.44 -0.85 1.68 -2.65 0.24 0.00 0.00 174.94 173.79 1wu8 n PRO 153 N 0.33 2.64 -0.32 0.37 -0.02 -1.26 -4.26 135.00 132.49 1wu8 n PRO 153 Ca -0.16 0.95 0.09 0.00 -2.02 0.00 0.00 63.50 62.36 1wu8 n PRO 153 Cb 0.60 -2.77 0.25 0.00 -0.02 0.00 0.00 33.50 31.56 1wu8 n PRO 153 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1wu8 h VAL 154 N 3.69 0.75 -0.20 -1.45 2.07 -1.97 -0.78 116.25 118.36 1wu8 h VAL 154 Ca -0.44 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1wu8 h VAL 154 Cb 1.22 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1wu8 h VAL 154 CO 0.92 0.13 0.00 -0.90 0.02 0.00 0.00 177.57 177.74 1wu8 n ASP 155 N -4.81 2.07 -1.06 0.57 5.75 -1.26 -3.74 116.55 114.07 1wu8 n ASP 155 Ca 0.19 -2.19 0.10 0.00 -0.01 0.00 0.00 54.79 52.87 1wu8 n ASP 155 Cb 0.46 -0.43 0.24 0.00 -1.03 0.00 0.00 41.12 40.36 1wu8 n ASP 155 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1wu8 n SER 156 N 0.19 3.46 -4.89 -1.12 3.41 -0.30 -4.96 113.62 109.40 1wu8 n SER 156 Ca 0.08 -1.97 -0.34 0.00 -0.26 0.00 0.00 58.87 56.38 1wu8 n SER 156 Cb 0.43 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1wu8 n SER 156 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1wu8 s ILE 157 N -1.09 5.34 0.16 -1.33 -4.36 -1.25 -5.02 121.20 113.66 1wu8 s ILE 157 Ca 0.38 0.05 -0.33 0.00 -0.26 0.00 0.00 60.65 60.48 1wu8 s ILE 157 Cb 0.20 -3.56 -0.13 0.00 1.25 0.00 0.00 42.46 40.22 1wu8 s ILE 157 CO 0.27 0.33 1.66 0.52 0.24 0.00 0.00 174.94 177.96 1wu8 n VAL 158 N 0.99 0.05 -5.14 8.37 0.31 -1.26 -4.98 118.33 116.67 1wu8 n VAL 158 Ca -0.10 -0.01 -0.32 0.00 -0.01 0.00 0.00 64.34 63.90 1wu8 n VAL 158 Cb 0.53 -1.74 -0.15 0.00 -0.91 0.00 0.00 33.84 31.56 1wu8 n VAL 158 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1wu8 s LYS 159 N 1.28 2.37 0.39 5.55 -0.14 -1.26 -2.97 119.74 124.96 1wu8 s LYS 159 Ca 0.78 -0.84 -0.08 0.00 -1.36 0.00 0.00 55.97 54.47 1wu8 s LYS 159 Cb -0.61 -2.20 -0.06 0.00 -1.68 0.00 0.00 37.83 33.29 1wu8 s LYS 159 CO 0.37 0.53 0.72 -0.51 -0.76 0.00 0.00 175.35 175.70 1wu8 s LEU 160 N -0.53 3.85 -0.47 3.17 1.43 -1.26 -4.92 118.68 119.95 1wu8 s LEU 160 Ca 0.07 1.01 -0.18 0.00 -1.03 0.00 0.00 54.13 54.00 1wu8 s LEU 160 Cb -0.11 -3.89 0.05 0.00 0.03 0.00 0.00 46.19 42.27 1wu8 s LEU 160 CO 0.01 -0.38 0.53 0.21 0.23 0.00 0.00 176.35 176.95 1wu8 s ASN 161 N -3.30 6.20 0.00 2.29 2.47 -1.26 -4.86 114.94 116.48 1wu8 s ASN 161 Ca 0.49 -0.92 0.00 0.00 0.42 0.00 0.00 52.86 52.86 1wu8 s ASN 161 Cb -0.10 -2.25 -0.00 0.00 -1.45 0.00 0.00 41.25 37.44 1wu8 s ASN 161 CO 0.33 -0.76 0.14 1.33 -3.72 0.00 0.00 177.10 174.42 1wu8 n VAL 162 N 5.49 0.00 -3.01 -5.21 0.24 -1.26 -5.04 118.33 109.55 1wu8 n VAL 162 Ca -0.08 -0.49 -0.38 0.00 -2.04 0.00 0.00 64.34 61.35 1wu8 n VAL 162 Cb 0.46 1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 1wu8 n VAL 162 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1wu8 s GLU 163 N -0.79 4.44 0.30 7.34 2.02 -1.26 -4.88 118.70 125.87 1wu8 s GLU 163 Ca 0.00 1.06 -0.13 0.00 0.02 0.00 0.00 54.97 55.92 1wu8 s GLU 163 Cb 0.00 -3.06 -0.08 0.00 0.10 0.00 0.00 34.13 31.09 1wu8 s GLU 163 CO 0.01 0.47 0.69 -1.25 0.02 0.00 0.00 175.26 175.20 1wu8 s PRO 164 N -1.57 3.93 0.31 0.39 0.04 -1.26 -5.07 135.00 131.76 1wu8 s PRO 164 Ca 0.40 0.54 0.07 0.00 0.04 0.00 0.00 61.00 62.05 1wu8 s PRO 164 Cb -0.20 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1wu8 s PRO 164 CO 0.24 0.19 0.32 -0.98 0.04 0.00 0.00 177.00 176.80 1wu8 s ARG 165 N -3.01 2.93 -0.08 4.56 1.70 -1.24 -5.02 118.95 118.80 1wu8 s ARG 165 Ca 0.52 -1.12 -0.01 0.00 -0.47 0.00 0.00 55.73 54.65 1wu8 s ARG 165 Cb -0.10 -2.61 0.03 0.00 -0.57 0.00 0.00 34.95 31.69 1wu8 s ARG 165 CO 0.19 0.19 -0.02 0.21 -1.08 0.00 0.00 175.30 174.80 1wu8 s LYS 166 N -4.00 0.89 -0.97 3.89 2.20 -1.26 -2.06 119.74 118.42 1wu8 s LYS 166 Ca 0.39 -0.01 -0.14 0.00 -0.36 0.00 0.00 55.97 55.86 1wu8 s LYS 166 Cb -0.07 -1.15 0.20 0.00 -1.51 0.00 0.00 37.83 35.30 1wu8 s LYS 166 CO 0.27 -0.28 1.03 -1.21 -0.36 0.00 0.00 175.35 174.80 1wu8 s GLU 167 N 1.86 3.81 2.90 4.03 2.02 -0.51 -4.88 118.70 127.94 1wu8 s GLU 167 Ca 0.04 -2.49 0.00 0.00 0.02 0.00 0.00 54.97 52.55 1wu8 s GLU 167 Cb -0.12 -4.67 0.00 0.00 0.10 0.00 0.00 34.13 29.44 1wu8 s GLU 167 CO -0.06 -1.46 0.00 0.41 0.02 0.00 0.00 175.26 174.17 1wu8 n GLY 168 N 4.06 2.14 0.00 -1.39 0.00 -1.26 -2.64 105.19 106.10 1wu8 n GLY 168 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1wu8 n GLY 168 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wu8 n ASP 169 N 6.34 0.38 -4.78 1.61 5.75 -1.26 -5.02 116.55 119.57 1wu8 n ASP 169 Ca 0.00 -0.68 -0.37 0.00 -0.01 0.00 0.00 54.79 53.73 1wu8 n ASP 169 Cb 0.00 0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 40.55 1wu8 n ASP 169 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1wu8 s VAL 170 N -0.52 5.24 -0.08 2.12 1.01 -1.08 -4.56 120.40 122.53 1wu8 s VAL 170 Ca 0.00 0.63 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 1wu8 s VAL 170 Cb 0.00 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1wu8 s VAL 170 CO 0.00 0.48 0.32 0.26 0.00 0.00 0.00 175.10 176.15 1wu8 s TRP 171 N -0.22 3.61 -0.63 5.22 0.52 0.14 -1.42 118.94 126.15 1wu8 s TRP 171 Ca 0.19 0.77 -0.00 0.00 0.02 0.00 0.00 56.10 57.08 1wu8 s TRP 171 Cb -0.14 -2.23 0.16 0.00 -1.15 0.00 0.00 33.47 30.10 1wu8 s TRP 171 CO 0.07 0.53 0.43 -1.50 0.02 0.00 0.00 176.95 176.51 1wu8 s ILE 172 N -0.56 3.42 0.42 2.03 1.10 -0.88 0.54 121.20 127.27 1wu8 s ILE 172 Ca 0.20 -3.25 0.04 0.00 -0.51 0.00 0.00 60.65 57.13 1wu8 s ILE 172 Cb -0.14 -3.25 0.00 0.00 0.15 0.00 0.00 42.46 39.22 1wu8 s ILE 172 CO 0.08 -0.89 0.59 -0.76 -2.11 0.00 0.00 174.94 171.86 1wu8 s LEU 173 N -0.36 3.72 0.13 8.50 1.43 -0.45 -3.66 118.68 127.98 1wu8 s LEU 173 Ca 0.19 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 1wu8 s LEU 173 Cb -0.20 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 1wu8 s LEU 173 CO -0.04 -0.67 -0.16 -1.59 0.23 0.00 0.00 176.35 174.11 1wu8 s LYS 174 N -4.40 1.09 -0.60 1.70 -2.85 -1.26 0.19 119.74 113.61 1wu8 s LYS 174 Ca 0.50 -1.25 -0.27 0.00 -1.00 0.00 0.00 55.97 53.94 1wu8 s LYS 174 Cb -0.10 -1.07 0.03 0.00 -2.06 0.00 0.00 37.83 34.63 1wu8 s LYS 174 CO 0.34 0.22 1.15 0.08 0.10 0.00 0.00 175.35 177.24 1wu8 s VAL 175 N -1.93 4.06 -0.88 1.79 1.01 0.04 -1.84 120.40 122.65 1wu8 s VAL 175 Ca 0.10 0.66 0.25 0.00 0.00 0.00 0.00 61.98 62.99 1wu8 s VAL 175 Cb -0.06 -4.72 0.04 0.00 0.00 0.00 0.00 36.38 31.65 1wu8 s VAL 175 CO 0.04 -1.37 1.44 2.30 0.00 0.00 0.00 175.10 177.51 1wu8 n ILE 176 N 6.51 0.11 -3.57 2.22 -5.35 -0.76 0.40 119.36 118.92 1wu8 n ILE 176 Ca 0.06 -0.09 -0.11 0.00 -0.27 0.00 0.00 62.75 62.34 1wu8 n ILE 176 Cb 0.49 0.05 -0.05 0.00 -1.74 0.00 0.00 39.64 38.38 1wu8 n ILE 176 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1wu8 s TYR 177 N -3.05 -0.39 -0.12 4.28 5.04 -1.22 -4.41 117.35 117.48 1wu8 s TYR 177 Ca 0.10 0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 55.34 1wu8 s TYR 177 Cb 0.16 0.45 0.05 0.00 0.35 0.00 0.00 41.96 42.97 1wu8 s TYR 177 CO 0.69 -0.36 0.07 0.42 -1.34 0.00 0.00 175.55 175.02 1wu8 s ILE 178 N -1.17 0.00 0.94 3.14 1.01 -1.26 -0.79 121.20 123.06 1wu8 s ILE 178 Ca -0.02 0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 1wu8 s ILE 178 Cb -0.00 -0.48 0.20 0.00 0.01 0.00 0.00 42.46 42.18 1wu8 s ILE 178 CO 0.02 -0.09 1.29 1.51 0.00 0.00 0.00 174.94 177.67 1wu8 s ASP 179 N 2.11 3.21 0.17 3.58 1.47 -1.01 -4.89 116.67 121.32 1wu8 s ASP 179 Ca 0.03 0.15 0.16 0.00 1.18 0.00 0.00 52.55 54.07 1wu8 s ASP 179 Cb -0.15 -0.21 0.76 0.00 -0.34 0.00 0.00 42.92 42.98 1wu8 s ASP 179 CO -0.07 -2.66 1.50 0.47 0.68 0.00 0.00 175.17 175.10 1wu8 n ASP 180 N -3.66 0.37 0.06 2.11 8.00 -1.26 -0.97 116.55 121.19 1wu8 n ASP 180 Ca 0.16 0.63 0.12 0.00 0.71 0.00 0.00 54.79 56.40 1wu8 n ASP 180 Cb 0.59 -0.69 0.15 0.00 -0.02 0.00 0.00 41.12 41.16 1wu8 n ASP 180 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wu8 n PHE 181 N -1.94 0.54 -0.27 1.24 3.72 -1.26 -4.93 117.46 114.56 1wu8 n PHE 181 Ca 0.01 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 1wu8 n PHE 181 Cb 0.11 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 1wu8 n PHE 181 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wu8 n GLY 182 N 1.34 0.72 3.73 1.37 0.00 -0.15 -3.95 105.19 108.25 1wu8 n GLY 182 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1wu8 n GLY 182 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wu8 s ASN 183 N -2.61 6.67 -0.21 1.61 0.01 -1.26 -0.59 114.94 118.57 1wu8 s ASN 183 Ca 0.00 2.59 -0.10 0.00 -0.71 0.00 0.00 52.86 54.63 1wu8 s ASN 183 Cb 0.00 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.00 1wu8 s ASN 183 CO 0.00 -0.73 0.15 -0.69 -1.51 0.00 0.00 177.10 174.33 1wu8 s VAL 184 N 0.55 5.39 -0.13 1.60 1.01 -0.26 -2.39 120.40 126.17 1wu8 s VAL 184 Ca 0.64 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.81 1wu8 s VAL 184 Cb -0.41 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1wu8 s VAL 184 CO 0.37 0.41 -0.03 -0.63 0.00 0.00 0.00 175.10 175.23 1wu8 s ILE 185 N 0.53 4.03 -0.01 2.22 1.09 0.03 -0.36 121.20 128.72 1wu8 s ILE 185 Ca 0.09 -0.32 0.05 0.00 -1.10 0.00 0.00 60.65 59.36 1wu8 s ILE 185 Cb -0.12 -2.74 -0.03 0.00 -1.06 0.00 0.00 42.46 38.52 1wu8 s ILE 185 CO -0.00 0.53 -0.16 -0.76 -0.10 0.00 0.00 174.94 174.45 1wu8 s LEU 186 N -0.05 2.69 -0.82 2.97 1.43 -0.25 -1.83 118.68 122.82 1wu8 s LEU 186 Ca 0.02 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1wu8 s LEU 186 Cb -0.13 -1.56 -0.08 0.00 0.03 0.00 0.00 46.19 44.45 1wu8 s LEU 186 CO 0.02 0.31 2.29 -0.46 0.23 0.00 0.00 176.35 178.74 1wu8 n ASN 187 N 1.97 5.09 -3.86 2.29 6.94 -0.77 -3.32 115.26 123.60 1wu8 n ASN 187 Ca -0.16 -2.31 -0.26 0.00 -0.02 0.00 0.00 54.58 51.83 1wu8 n ASN 187 Cb 0.52 -1.11 -0.17 0.00 -2.36 0.00 0.00 39.78 36.66 1wu8 n ASN 187 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1wu8 s LEU 188 N 0.09 1.04 0.16 -4.53 2.96 -1.26 -4.34 118.68 112.79 1wu8 s LEU 188 Ca 0.44 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 1wu8 s LEU 188 Cb 0.13 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 1wu8 s LEU 188 CO -0.03 -0.16 0.01 -1.83 -1.32 0.00 0.00 176.35 173.02 1wu8 s GLU 189 N 1.79 1.07 -0.98 1.98 -1.05 -1.26 -2.19 118.70 118.06 1wu8 s GLU 189 Ca 0.04 -1.51 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 1wu8 s GLU 189 Cb -0.13 -0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.38 1wu8 s GLU 189 CO -0.07 -0.15 0.00 0.09 0.95 0.00 0.00 175.26 176.08 1wu8 n ASN 190 N -0.21 -5.57 -4.81 0.83 3.02 -1.26 -4.98 115.26 102.28 1wu8 n ASN 190 Ca -0.06 0.23 -0.29 0.00 -0.03 0.00 0.00 54.58 54.43 1wu8 n ASN 190 Cb 0.63 -3.88 0.13 0.00 -0.61 0.00 0.00 39.78 36.04 1wu8 n ASN 190 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1wu8 s TYR 191 N -1.86 2.60 -0.02 3.10 1.13 -1.26 -5.03 117.35 116.02 1wu8 s TYR 191 Ca 0.00 0.83 -0.22 0.00 -1.41 0.00 0.00 57.07 56.27 1wu8 s TYR 191 Cb 0.00 -3.42 -0.05 0.00 -1.10 0.00 0.00 41.96 37.39 1wu8 s TYR 191 CO 0.00 -2.24 0.65 -1.21 -2.51 0.00 0.00 175.55 170.24 1wu8 s GLU 192 N -5.35 4.38 -0.41 -3.49 2.02 -1.26 -4.97 118.70 109.63 1wu8 s GLU 192 Ca 0.63 0.82 -0.36 0.00 0.02 0.00 0.00 54.97 56.09 1wu8 s GLU 192 Cb -0.14 -3.38 -0.13 0.00 0.10 0.00 0.00 34.13 30.59 1wu8 s GLU 192 CO 0.52 0.27 2.22 1.17 0.02 0.00 0.00 175.26 179.47 1wu8 n LYS 193 N 3.04 0.89 -1.93 1.61 4.81 -1.26 -4.93 118.16 120.39 1wu8 n LYS 193 Ca -0.05 0.23 -0.29 0.00 -0.87 0.00 0.00 58.31 57.33 1wu8 n LYS 193 Cb 0.51 -2.35 0.10 0.00 0.02 0.00 0.00 35.03 33.31 1wu8 n LYS 193 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1wu8 s PRO 194 N 6.45 1.88 -0.18 1.64 0.04 -1.26 -4.99 135.00 138.58 1wu8 s PRO 194 Ca 1.12 0.03 0.13 0.00 0.04 0.00 0.00 61.00 62.32 1wu8 s PRO 194 Cb -0.92 -1.96 -0.20 0.00 0.04 0.00 0.00 34.50 31.46 1wu8 s PRO 194 CO 0.50 -1.63 0.01 -2.13 0.04 0.00 0.00 177.00 173.79 1wu8 n ARG 195 N -3.32 1.04 -4.11 4.56 0.63 -1.26 -4.79 116.66 109.41 1wu8 n ARG 195 Ca 0.09 0.02 -0.08 0.00 -0.92 0.00 0.00 57.85 56.95 1wu8 n ARG 195 Cb 0.61 -1.45 -0.10 0.00 0.45 0.00 0.00 32.46 31.97 1wu8 n ARG 195 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1wu8 s THR 196 N -2.43 0.26 -0.05 5.15 2.01 -1.26 -2.90 115.64 116.42 1wu8 s THR 196 Ca -0.13 -1.85 -0.02 0.00 0.31 0.00 0.00 61.69 60.00 1wu8 s THR 196 Cb 0.06 -1.66 0.04 0.00 0.01 0.00 0.00 72.50 70.94 1wu8 s THR 196 CO 0.68 -0.86 0.09 -0.69 -0.69 0.00 0.00 174.62 173.15 1wu8 s VAL 197 N -3.91 -0.15 -0.19 3.82 1.01 -0.14 -1.86 120.40 118.99 1wu8 s VAL 197 Ca 0.12 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 1wu8 s VAL 197 Cb 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 1wu8 s VAL 197 CO -0.07 0.16 -0.00 -1.83 0.00 0.00 0.00 175.10 173.37 1wu8 s GLU 198 N 2.13 3.66 -1.17 2.72 -1.05 -0.54 0.23 118.70 124.67 1wu8 s GLU 198 Ca 0.03 -0.50 -0.13 0.00 -0.15 0.00 0.00 54.97 54.22 1wu8 s GLU 198 Cb -0.12 -3.06 0.20 0.00 -0.44 0.00 0.00 34.13 30.70 1wu8 s GLU 198 CO -0.04 0.08 1.34 -0.51 0.95 0.00 0.00 175.26 177.08 1wu8 s LEU 199 N 0.82 5.38 0.58 1.83 1.43 -0.25 -1.66 118.68 126.82 1wu8 s LEU 199 Ca 0.01 -3.10 0.34 0.00 -1.03 0.00 0.00 54.13 50.34 1wu8 s LEU 199 Cb -0.14 -2.35 1.33 0.00 0.03 0.00 0.00 46.19 45.05 1wu8 s LEU 199 CO 0.02 -0.65 1.59 -0.07 0.23 0.00 0.00 176.35 177.47 1wu8 h LEU 200 N 8.99 0.00 0.00 1.79 3.38 -1.61 0.69 115.31 128.55 1wu8 h LEU 200 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1wu8 h LEU 200 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1wu8 h LEU 200 CO 1.18 0.00 0.00 0.47 0.09 0.00 0.00 178.44 180.18 1wu8 n ASP 201 N -3.66 0.00 0.00 -0.43 8.00 -1.25 -3.35 116.55 115.86 1wu8 n ASP 201 Ca 0.24 0.48 0.00 0.00 0.71 0.00 0.00 54.79 56.23 1wu8 n ASP 201 Cb 1.37 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.97 1wu8 n ASP 201 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wu8 n PHE 202 N -1.49 0.00 -3.18 1.24 3.72 0.23 -5.02 117.46 112.96 1wu8 n PHE 202 Ca 0.05 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.22 1wu8 n PHE 202 Cb 0.23 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.81 1wu8 n PHE 202 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1wu8 n ASN 203 N -0.04 -5.69 -4.46 4.37 3.02 -0.68 -4.98 115.26 106.81 1wu8 n ASN 203 Ca 0.00 -0.35 -0.34 0.00 -0.03 0.00 0.00 54.58 53.86 1wu8 n ASN 203 Cb 0.13 -4.59 -0.13 0.00 -0.61 0.00 0.00 39.78 34.58 1wu8 n ASN 203 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wu8 s LEU 204 N -6.75 3.15 -0.17 3.41 1.43 -1.23 -5.00 118.68 113.52 1wu8 s LEU 204 Ca 0.37 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 53.13 1wu8 s LEU 204 Cb -0.17 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1wu8 s LEU 204 CO 0.45 0.13 0.32 -0.60 0.23 0.00 0.00 176.35 176.89 1wu8 s ARG 205 N 0.58 4.23 -0.00 1.70 6.06 -1.26 -1.08 118.95 129.17 1wu8 s ARG 205 Ca -0.03 0.12 0.06 0.00 -2.50 0.00 0.00 55.73 53.38 1wu8 s ARG 205 Cb -0.14 -3.46 -0.03 0.00 0.06 0.00 0.00 34.95 31.37 1wu8 s ARG 205 CO 0.03 0.15 -0.19 -0.51 -2.50 0.00 0.00 175.30 172.27 1wu8 s LEU 206 N 0.75 2.50 0.42 -0.88 1.43 0.14 -4.94 118.68 118.10 1wu8 s LEU 206 Ca 0.17 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 1wu8 s LEU 206 Cb -0.14 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 1wu8 s LEU 206 CO 0.05 0.30 1.07 -2.84 0.23 0.00 0.00 176.35 175.17 1wu8 s PRO 207 N -1.00 4.03 -0.51 1.29 0.02 -1.26 -0.96 135.00 136.60 1wu8 s PRO 207 Ca 0.12 1.55 -0.04 0.00 0.02 0.00 0.00 61.00 62.65 1wu8 s PRO 207 Cb -0.10 -2.45 0.13 0.00 0.02 0.00 0.00 34.50 32.10 1wu8 s PRO 207 CO 0.02 -0.27 0.34 -0.47 -0.33 0.00 0.00 177.00 176.28 1wu8 s TYR 208 N -1.67 3.50 0.31 6.54 6.14 -1.14 -1.12 117.35 129.91 1wu8 s TYR 208 Ca 0.60 -2.43 0.11 0.00 0.64 0.00 0.00 57.07 55.99 1wu8 s TYR 208 Cb -0.23 -3.28 -0.05 0.00 0.42 0.00 0.00 41.96 38.81 1wu8 s TYR 208 CO 0.28 -0.93 -0.12 -0.51 0.64 0.00 0.00 175.55 174.91 1wu8 s LEU 209 N 0.69 2.74 0.42 6.97 1.43 -0.28 -4.90 118.68 125.75 1wu8 s LEU 209 Ca 0.11 -1.05 0.10 0.00 -1.03 0.00 0.00 54.13 52.27 1wu8 s LEU 209 Cb -0.22 -1.15 0.94 0.00 0.03 0.00 0.00 46.19 45.79 1wu8 s LEU 209 CO -0.04 -0.08 2.02 -0.33 0.23 0.00 0.00 176.35 178.15 1wu8 h GLU 210 N 2.09 0.47 -3.16 1.70 4.39 -1.98 -3.38 114.58 114.73 1wu8 h GLU 210 Ca -0.41 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1wu8 h GLU 210 Cb 1.25 -0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 29.70 1wu8 h GLU 210 CO 0.64 0.31 0.12 -0.08 -1.16 0.00 0.00 179.01 178.85 1wu8 s THR 211 N -5.45 0.01 0.25 1.13 -1.32 -1.26 -4.80 115.64 104.20 1wu8 s THR 211 Ca -0.08 -0.64 -0.06 0.00 -1.21 0.00 0.00 61.69 59.70 1wu8 s THR 211 Cb 0.19 -1.54 0.27 0.00 -1.51 0.00 0.00 72.50 69.91 1wu8 s THR 211 CO 0.74 -0.06 1.65 1.88 -2.21 0.00 0.00 174.62 176.62 1wu8 h TYR 212 N 2.10 0.04 0.00 9.09 0.05 -1.95 -1.98 116.97 124.31 1wu8 h TYR 212 Ca -0.28 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1wu8 h TYR 212 Cb 1.27 0.10 0.00 0.00 1.01 0.00 0.00 36.73 39.11 1wu8 h TYR 212 CO 0.34 -0.21 0.00 0.41 -1.05 0.00 0.00 178.16 177.65 1wu8 n GLY 213 N -1.40 -0.78 0.06 3.88 0.00 -1.26 -2.89 105.19 102.79 1wu8 n GLY 213 Ca 0.14 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1wu8 n GLY 213 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wu8 n LEU 214 N -1.63 0.34 -4.45 0.99 4.77 -0.74 -4.71 117.00 111.57 1wu8 n LEU 214 Ca 0.01 0.56 -0.23 0.00 -0.03 0.00 0.00 56.01 56.33 1wu8 n LEU 214 Cb 0.09 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1wu8 n LEU 214 CO 0.08 -0.27 -0.45 0.68 -1.33 0.00 0.00 177.39 176.10 1wu8 s VAL 215 N -3.11 2.19 0.76 4.08 -7.23 -1.14 -5.11 120.40 110.84 1wu8 s VAL 215 Ca 0.08 -2.31 -0.11 0.00 -1.81 0.00 0.00 61.98 57.84 1wu8 s VAL 215 Cb 0.12 -2.30 0.05 0.00 0.56 0.00 0.00 36.38 34.80 1wu8 s VAL 215 CO 0.42 -0.41 1.09 -1.61 -0.31 0.00 0.00 175.10 174.27 1wu8 s GLU 216 N -3.58 2.39 0.22 4.82 2.02 -1.26 -4.91 118.70 118.41 1wu8 s GLU 216 Ca 0.28 1.14 -0.32 0.00 0.02 0.00 0.00 54.97 56.10 1wu8 s GLU 216 Cb -0.02 -1.92 -0.14 0.00 0.10 0.00 0.00 34.13 32.16 1wu8 s GLU 216 CO 0.13 -1.53 1.42 1.17 0.02 0.00 0.00 175.26 176.46 1wu8 n LYS 217 N -3.42 2.00 0.00 1.61 4.81 -1.26 -1.54 118.16 120.36 1wu8 n LYS 217 Ca 0.09 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 1wu8 n LYS 217 Cb 0.53 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.20 1wu8 n LYS 217 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wu8 n GLY 218 N 2.31 2.22 0.00 3.14 0.00 -0.57 -5.00 105.19 107.28 1wu8 n GLY 218 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1wu8 n GLY 218 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wu8 n GLU 219 N -2.00 3.01 0.00 1.61 -0.58 -0.59 -4.79 120.64 117.30 1wu8 n GLU 219 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1wu8 n GLU 219 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1wu8 n GLU 219 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1wu8 n LEU 221 N 0.00 0.00 -4.29 -4.62 -0.00 0.82 -1.33 117.00 107.58 1wu8 n LEU 221 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 1wu8 n LEU 221 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 1wu8 n LEU 221 CO 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 177.39 176.84 1wu8 s ALA 222 N -2.00 2.00 0.10 1.47 0.00 -0.27 -1.22 121.76 121.84 1wu8 s ALA 222 Ca 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 51.96 50.77 1wu8 s ALA 222 Cb 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1wu8 s ALA 222 CO 0.00 0.47 0.19 -0.48 0.00 0.00 0.00 175.76 175.94 1wu8 s LEU 223 N -0.96 1.43 0.00 0.00 0.05 -0.70 -1.13 118.68 117.36 1wu8 s LEU 223 Ca 0.10 -0.75 0.16 0.00 0.05 0.00 0.00 54.13 53.68 1wu8 s LEU 223 Cb -0.09 0.97 0.91 0.00 -2.05 0.00 0.00 46.19 45.93 1wu8 s LEU 223 CO 0.01 -0.75 1.36 -0.81 -0.55 0.00 0.00 176.35 175.60 1wu8 n PRO 224 N -0.08 0.45 -0.61 1.48 -0.04 -1.26 -1.57 135.00 133.37 1wu8 n PRO 224 Ca -0.13 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.43 1wu8 n PRO 224 Cb 0.62 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 1wu8 n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wu8 n GLY 225 N -0.02 -1.25 0.45 0.55 0.00 -1.26 -3.99 105.19 99.67 1wu8 n GLY 225 Ca 0.11 -0.98 0.04 0.00 0.00 0.00 0.00 46.02 45.20 1wu8 n GLY 225 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wu8 n SER 226 N -3.64 2.42 -0.18 1.61 3.41 -1.26 -4.51 113.62 111.47 1wu8 n SER 226 Ca 0.00 -1.81 0.08 0.00 -0.26 0.00 0.00 58.87 56.89 1wu8 n SER 226 Cb 0.28 -0.13 0.12 0.00 -0.26 0.00 0.00 64.21 64.22 1wu8 n SER 226 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1wu8 n HIS 227 N 0.35 0.00 -1.08 7.33 8.25 -1.26 -4.98 115.22 123.82 1wu8 n HIS 227 Ca 0.08 -0.87 -0.03 0.00 -0.26 0.00 0.00 57.72 56.65 1wu8 n HIS 227 Cb 0.34 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 1wu8 n HIS 227 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1wu8 n ASP 228 N -1.18 -4.25 -4.82 0.41 8.00 -1.26 -4.99 116.55 108.47 1wu8 n ASP 228 Ca 0.14 0.06 -0.27 0.00 0.71 0.00 0.00 54.79 55.43 1wu8 n ASP 228 Cb 0.66 -1.98 -0.04 0.00 -0.02 0.00 0.00 41.12 39.73 1wu8 n ASP 228 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wu8 s TYR 229 N -1.78 2.03 -0.09 1.24 2.02 -1.26 -4.43 117.35 115.07 1wu8 s TYR 229 Ca 0.00 -0.77 -0.25 0.00 -0.37 0.00 0.00 57.07 55.68 1wu8 s TYR 229 Cb 0.00 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 1wu8 s TYR 229 CO 0.00 -0.11 0.78 -1.17 -1.57 0.00 0.00 175.55 173.48 1wu8 s LEU 230 N -4.07 4.28 0.02 -1.29 2.96 -0.93 -3.99 118.68 115.65 1wu8 s LEU 230 Ca 0.31 1.24 0.05 0.00 -0.22 0.00 0.00 54.13 55.51 1wu8 s LEU 230 Cb 0.00 -3.19 -0.03 0.00 0.50 0.00 0.00 46.19 43.47 1wu8 s LEU 230 CO 0.18 -0.23 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.17 1wu8 s GLU 231 N 1.28 2.36 -0.18 1.98 2.12 -0.61 -1.09 118.70 124.55 1wu8 s GLU 231 Ca 0.40 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1wu8 s GLU 231 Cb -0.18 -2.37 0.03 0.00 0.26 0.00 0.00 34.13 31.86 1wu8 s GLU 231 CO 0.18 0.58 -0.17 0.42 -0.54 0.00 0.00 175.26 175.72 1wu8 s ILE 232 N -0.97 1.90 0.06 -3.70 -1.09 0.51 -1.72 121.20 116.20 1wu8 s ILE 232 Ca 0.16 -0.92 -0.00 0.00 -2.23 0.00 0.00 60.65 57.66 1wu8 s ILE 232 Cb -0.11 -1.78 -0.04 0.00 -1.58 0.00 0.00 42.46 38.95 1wu8 s ILE 232 CO 0.07 0.44 -0.04 0.00 -1.23 0.00 0.00 174.94 174.18 1wu8 s ALA 233 N 1.34 0.61 -0.22 9.38 0.00 -0.35 -1.10 121.76 131.41 1wu8 s ALA 233 Ca 0.03 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 1wu8 s ALA 233 Cb -0.14 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 1wu8 s ALA 233 CO -0.11 -0.33 -0.05 0.08 0.00 0.00 0.00 175.76 175.35 1wu8 s VAL 234 N -3.76 3.25 0.00 0.00 1.01 -1.26 -0.12 120.40 119.52 1wu8 s VAL 234 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1wu8 s VAL 234 Cb 0.07 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1wu8 s VAL 234 CO -0.08 0.39 0.00 -3.20 0.00 0.00 0.00 175.10 172.20 1wu8 n ASN 235 N 4.77 0.00 0.00 3.32 5.15 -0.45 -4.43 115.26 123.63 1wu8 n ASN 235 Ca -0.18 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 1wu8 n ASN 235 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 1wu8 n ASN 235 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wu8 n GLY 237 N 1.74 -2.36 3.38 8.20 0.00 -1.26 -1.51 105.19 113.38 1wu8 n GLY 237 Ca 0.00 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 1wu8 n GLY 237 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wu8 s SER 238 N -1.29 5.80 0.40 1.61 0.15 -1.25 -4.72 113.70 114.39 1wu8 s SER 238 Ca 0.00 -1.01 0.18 0.00 0.70 0.00 0.00 55.95 55.82 1wu8 s SER 238 Cb 0.00 -2.04 0.86 0.00 -1.71 0.00 0.00 66.02 63.12 1wu8 s SER 238 CO 0.00 -0.41 1.85 0.00 1.20 0.00 0.00 173.24 175.88 1wu8 h ALA 239 N 8.47 1.23 -0.38 5.45 0.00 -1.71 -2.86 119.26 129.46 1wu8 h ALA 239 Ca -0.25 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 1wu8 h ALA 239 Cb 1.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1wu8 h ALA 239 CO 0.68 0.40 -0.27 0.00 0.00 0.00 0.00 179.25 180.07 1wu8 h ALA 240 N 1.68 0.55 0.00 0.00 0.00 -1.16 -2.76 119.26 117.56 1wu8 h ALA 240 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1wu8 h ALA 240 Cb 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1wu8 h ALA 240 CO 0.04 0.56 0.00 0.93 0.00 0.00 0.00 179.25 180.78 1wu8 h GLU 241 N 0.66 0.00 0.00 0.00 5.08 -1.79 0.14 114.58 118.67 1wu8 h GLU 241 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1wu8 h GLU 241 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1wu8 h GLU 241 CO 0.07 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.62 1wu8 n ARG 242 N -2.94 0.00 0.02 2.33 5.12 -1.11 -3.70 116.66 116.38 1wu8 n ARG 242 Ca 0.02 0.43 0.02 0.00 -1.93 0.00 0.00 57.85 56.39 1wu8 n ARG 242 Cb 0.35 -1.02 0.10 0.00 -1.16 0.00 0.00 32.46 30.73 1wu8 n ARG 242 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1wu8 n LEU 243 N -1.80 0.07 -3.83 0.55 4.77 -1.05 -4.86 117.00 110.85 1wu8 n LEU 243 Ca 0.00 0.53 -0.33 0.00 -0.03 0.00 0.00 56.01 56.18 1wu8 n LEU 243 Cb 0.00 -0.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1wu8 n LEU 243 CO 0.00 -0.53 -0.14 -3.20 -1.33 0.00 0.00 177.39 172.19 1wu8 n ASN 244 N -1.59 -4.90 -4.62 -1.43 4.05 0.46 -4.98 115.26 102.25 1wu8 n ASN 244 Ca 0.00 -1.04 -0.28 0.00 0.45 0.00 0.00 54.58 53.71 1wu8 n ASN 244 Cb 0.02 -2.26 -0.11 0.00 1.23 0.00 0.00 39.78 38.66 1wu8 n ASN 244 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1wu8 s VAL 245 N -3.28 1.91 0.25 3.44 -7.23 -1.03 -5.04 120.40 109.41 1wu8 s VAL 245 Ca 0.28 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1wu8 s VAL 245 Cb -0.14 -2.94 -0.05 0.00 0.56 0.00 0.00 36.38 33.81 1wu8 s VAL 245 CO 0.91 0.00 0.05 -0.54 -0.31 0.00 0.00 175.10 175.21 1wu8 s LYS 246 N -3.73 1.39 0.21 4.82 1.02 -1.26 -4.86 119.74 117.32 1wu8 s LYS 246 Ca 0.33 -1.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 1wu8 s LYS 246 Cb 0.09 -0.45 -0.09 0.00 -0.52 0.00 0.00 37.83 36.87 1wu8 s LYS 246 CO 0.17 -0.20 1.36 0.08 -0.92 0.00 0.00 175.35 175.83 1wu8 s VAL 247 N -3.58 3.05 0.00 3.17 1.01 -1.26 -2.71 120.40 120.08 1wu8 s VAL 247 Ca 0.33 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1wu8 s VAL 247 Cb 0.07 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1wu8 s VAL 247 CO 0.11 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1wu8 n GLY 248 N 2.43 2.72 3.74 4.51 0.00 0.16 -4.96 105.19 113.79 1wu8 n GLY 248 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1wu8 n GLY 248 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wu8 s ASP 249 N 0.04 4.70 0.04 1.61 1.11 -1.10 -4.61 116.67 118.45 1wu8 s ASP 249 Ca 0.00 2.26 0.03 0.00 0.18 0.00 0.00 52.55 55.02 1wu8 s ASP 249 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1wu8 s ASP 249 CO 0.00 -1.92 -0.02 -1.61 1.18 0.00 0.00 175.17 172.80 1wu8 s GLU 250 N -3.82 2.62 -0.01 8.23 2.02 -1.26 -0.78 118.70 125.71 1wu8 s GLU 250 Ca 0.73 -0.74 0.01 0.00 0.02 0.00 0.00 54.97 55.00 1wu8 s GLU 250 Cb -0.27 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1wu8 s GLU 250 CO 0.41 0.58 -0.05 -0.51 0.02 0.00 0.00 175.26 175.72 1wu8 s LEU 251 N -1.85 1.83 -0.29 1.80 1.43 0.13 -4.97 118.68 116.75 1wu8 s LEU 251 Ca 0.22 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 53.01 1wu8 s LEU 251 Cb -0.11 -0.29 -0.01 0.00 0.03 0.00 0.00 46.19 45.81 1wu8 s LEU 251 CO 0.13 0.03 0.68 -0.13 0.23 0.00 0.00 176.35 177.29 1wu8 s ARG 252 N 0.13 3.96 -0.06 1.70 0.52 -1.26 -1.34 118.95 122.61 1wu8 s ARG 252 Ca -0.01 0.44 0.04 0.00 -0.52 0.00 0.00 55.73 55.67 1wu8 s ARG 252 Cb -0.05 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.71 1wu8 s ARG 252 CO -0.00 -0.57 -0.16 0.08 0.02 0.00 0.00 175.30 174.67 1wu8 s VAL 253 N 2.69 1.38 -0.16 3.52 1.01 0.19 -1.77 120.40 127.26 1wu8 s VAL 253 Ca 0.28 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1wu8 s VAL 253 Cb -0.15 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 1wu8 s VAL 253 CO 0.11 0.40 -0.13 -0.60 0.00 0.00 0.00 175.10 174.89 1wu8 s ARG 254 N 0.28 3.28 -0.34 2.72 3.52 -0.66 0.23 118.95 127.97 1wu8 s ARG 254 Ca -0.09 -0.71 -0.17 0.00 -0.13 0.00 0.00 55.73 54.63 1wu8 s ARG 254 Cb -0.14 -2.69 -0.01 0.00 -1.56 0.00 0.00 34.95 30.56 1wu8 s ARG 254 CO 0.03 0.02 0.45 -0.51 -0.81 0.00 0.00 175.30 174.48 1wu8 s LEU 255 N 0.82 4.37 0.00 -0.88 1.02 -1.26 -1.47 118.68 121.28 1wu8 s LEU 255 Ca -0.04 -0.09 0.20 0.00 0.02 0.00 0.00 54.13 54.22 1wu8 s LEU 255 Cb -0.15 -2.48 0.16 0.00 0.02 0.00 0.00 46.19 43.73 1wu8 s LEU 255 CO 0.00 -0.41 1.12 0.18 0.02 0.00 0.00 176.35 177.27