#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 4.89 -0.08 1.39 -4.23 -0.18 0.29 115.64 117.73 1wu8 s THR 3 Ca 0.00 -0.75 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 1wu8 s THR 3 Cb 0.00 -3.44 0.01 0.00 1.34 0.00 0.00 72.50 70.41 1wu8 s THR 3 CO 0.00 0.02 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.17 1wu8 s LEU 4 N -2.80 1.83 -0.05 4.79 1.43 0.11 -1.28 118.68 122.71 1wu8 s LEU 4 Ca 0.32 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1wu8 s LEU 4 Cb -0.12 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 45.08 1wu8 s LEU 4 CO 0.25 0.09 0.03 -0.89 0.23 0.00 0.00 176.35 176.06 1wu8 s THR 5 N 0.49 0.12 0.33 5.49 2.01 -0.75 -0.90 115.64 122.42 1wu8 s THR 5 Ca -0.15 0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 1wu8 s THR 5 Cb -0.16 -0.32 -0.00 0.00 0.01 0.00 0.00 72.50 72.03 1wu8 s THR 5 CO 0.06 0.21 0.44 0.42 -0.69 0.00 0.00 174.62 175.06 1wu8 s THR 6 N 1.96 0.00 -0.21 -0.82 -4.23 -0.52 0.04 115.64 111.87 1wu8 s THR 6 Ca 0.03 -1.64 0.13 0.00 -1.18 0.00 0.00 61.69 59.03 1wu8 s THR 6 Cb -0.12 -2.59 0.27 0.00 1.34 0.00 0.00 72.50 71.40 1wu8 s THR 6 CO -0.04 0.00 1.19 -0.90 -0.54 0.00 0.00 174.62 174.33 1wu8 n ASP 7 N -1.30 2.67 -0.16 3.99 5.75 -1.18 -2.71 116.55 123.61 1wu8 n ASP 7 Ca 0.01 -2.67 0.19 0.00 -0.01 0.00 0.00 54.79 52.31 1wu8 n ASP 7 Cb 0.62 -0.33 0.56 0.00 -1.03 0.00 0.00 41.12 40.94 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 0.65 0.37 0.00 2.11 -1.00 -1.81 -3.44 116.94 113.82 1wu8 h PHE 8 Ca 0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1wu8 h PHE 8 Cb 0.94 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.39 1wu8 h PHE 8 CO 0.14 0.12 0.00 0.41 -1.61 0.00 0.00 178.31 177.37 1wu8 n GLY 9 N -1.56 1.27 0.07 -1.45 0.00 0.78 -4.88 105.19 99.41 1wu8 n GLY 9 Ca 0.15 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.32 0.36 -4.21 0.99 4.77 -1.26 -4.78 117.00 112.55 1wu8 n LEU 10 Ca 0.00 0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.72 1wu8 n LEU 10 Cb 0.00 0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1wu8 n LEU 10 CO 0.00 0.09 0.03 -1.59 -1.33 0.00 0.00 177.39 174.59 1wu8 s LYS 11 N -3.17 2.61 0.00 3.23 -2.85 -1.26 -4.97 119.74 113.33 1wu8 s LYS 11 Ca -0.06 -1.92 0.00 0.00 -1.00 0.00 0.00 55.97 52.99 1wu8 s LYS 11 Cb 0.10 -3.96 0.00 0.00 -2.06 0.00 0.00 37.83 31.91 1wu8 s LYS 11 CO 0.85 -1.21 0.00 0.41 0.10 0.00 0.00 175.35 175.50 1wu8 n GLY 12 N 4.67 -1.64 0.49 0.59 0.00 -1.26 -5.00 105.19 103.04 1wu8 n GLY 12 Ca -0.04 -1.09 0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.23 1.46 -0.08 1.61 -0.04 -1.26 -4.70 135.00 131.77 1wu8 n PRO 13 Ca 0.00 -1.02 -0.14 0.00 -0.04 0.00 0.00 63.50 62.29 1wu8 n PRO 13 Cb 0.00 -1.40 -0.09 0.00 -0.04 0.00 0.00 33.50 31.96 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 2.42 -1.63 -0.76 0.54 0.99 -1.93 -0.27 116.97 116.32 1wu8 h TYR 14 Ca 0.00 0.07 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1wu8 h TYR 14 Cb 0.70 0.75 -0.04 0.00 1.00 0.00 0.00 36.73 39.14 1wu8 h TYR 14 CO 0.00 -0.51 0.47 0.28 -0.00 0.00 0.00 178.16 178.40 1wu8 h VAL 15 N -0.48 1.21 -0.88 -2.88 2.07 -1.87 -2.69 116.25 110.73 1wu8 h VAL 15 Ca 0.06 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1wu8 h VAL 15 Cb 0.64 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1wu8 h VAL 15 CO -0.52 0.22 0.53 1.23 0.02 0.00 0.00 177.57 179.05 1wu8 h GLY 16 N 1.04 1.26 -1.32 2.17 0.00 -1.74 -1.95 103.07 102.53 1wu8 h GLY 16 Ca 0.27 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1wu8 h GLY 16 CO -0.05 0.50 0.00 1.18 0.00 0.00 0.00 176.54 178.17 1wu8 n GLU 17 N -4.37 0.26 0.00 4.80 1.02 -0.16 -1.57 120.64 120.63 1wu8 n GLU 17 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1wu8 n GLU 17 Cb 0.06 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.53 0.00 0.16 3.49 5.02 -0.74 -1.23 118.16 125.39 1wu8 n LYS 19 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1wu8 n LYS 19 Cb 0.09 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.38 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 1.32 0.00 -0.18 -1.51 -1.56 -0.13 116.25 114.19 1wu8 h VAL 20 Ca 0.00 -1.54 0.00 0.00 -1.23 0.00 0.00 66.70 63.93 1wu8 h VAL 20 Cb 0.00 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1wu8 h VAL 20 CO 0.00 0.44 0.00 0.00 -1.23 0.00 0.00 177.57 176.78 1wu8 n ALA 21 N -2.46 1.50 0.00 5.19 0.00 -0.37 -0.46 120.51 123.91 1wu8 n ALA 21 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1wu8 n ALA 21 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 0.42 0.00 0.25 0.00 4.77 -0.06 -2.83 117.00 119.55 1wu8 n LEU 23 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1wu8 n LEU 23 Cb 0.09 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.69 1wu8 n LEU 23 CO 0.00 0.00 0.90 -0.09 -1.33 0.00 0.00 177.39 176.87 1wu8 h ARG 24 N 0.00 0.00 0.00 3.23 2.43 -1.01 0.14 114.38 119.17 1wu8 h ARG 24 Ca 0.00 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.79 1wu8 h ARG 24 Cb 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 1wu8 h ARG 24 CO 0.00 0.06 -2.42 -0.89 -1.51 0.00 0.00 179.97 175.21 1wu8 n ILE 25 N -3.15 1.45 -3.41 1.20 5.41 -1.13 -4.72 119.36 115.02 1wu8 n ILE 25 Ca 0.01 -0.70 -0.27 0.00 1.00 0.00 0.00 62.75 62.79 1wu8 n ILE 25 Cb 0.39 -1.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.22 1wu8 n ILE 25 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1wu8 n ASN 26 N -3.04 -0.21 0.29 4.38 2.85 -1.19 -4.95 115.26 113.39 1wu8 n ASN 26 Ca -0.40 -2.45 0.09 0.00 -0.11 0.00 0.00 54.58 51.71 1wu8 n ASN 26 Cb 1.07 -0.57 0.46 0.00 1.24 0.00 0.00 39.78 41.98 1wu8 n ASN 26 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1wu8 h PRO 27 N 5.49 0.00 -0.53 1.20 0.13 -1.01 -1.87 132.00 135.41 1wu8 h PRO 27 Ca 0.25 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 65.00 1wu8 h PRO 27 Cb 0.90 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.69 1wu8 h PRO 27 CO 0.40 0.00 -0.81 0.27 -0.23 0.00 0.00 178.00 177.63 1wu8 n ASN 28 N -2.54 3.65 -4.76 1.44 6.94 -1.26 -4.97 115.26 113.76 1wu8 n ASN 28 Ca -0.01 -3.45 -0.40 0.00 -0.02 0.00 0.00 54.58 50.70 1wu8 n ASN 28 Cb 0.55 -0.39 -0.06 0.00 -2.36 0.00 0.00 39.78 37.52 1wu8 n ASN 28 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wu8 s ALA 29 N -3.40 3.37 -0.52 -2.53 0.00 -0.70 -5.01 121.76 112.97 1wu8 s ALA 29 Ca 0.44 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.74 1wu8 s ALA 29 Cb 0.39 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 20.44 1wu8 s ALA 29 CO -0.00 0.24 0.67 0.21 0.00 0.00 0.00 175.76 176.88 1wu8 s LYS 30 N -1.18 3.14 -0.24 0.00 2.20 -1.26 -5.02 119.74 117.39 1wu8 s LYS 30 Ca 0.39 -0.84 -0.12 0.00 -0.36 0.00 0.00 55.97 55.04 1wu8 s LYS 30 Cb -0.25 -4.10 -0.05 0.00 -1.51 0.00 0.00 37.83 31.92 1wu8 s LYS 30 CO 0.30 -1.28 0.25 0.42 -0.36 0.00 0.00 175.35 174.68 1wu8 s ILE 31 N 2.82 5.29 -0.21 5.43 1.01 -1.26 -0.93 121.20 133.34 1wu8 s ILE 31 Ca 0.17 0.36 -0.03 0.00 0.00 0.00 0.00 60.65 61.14 1wu8 s ILE 31 Cb -0.19 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 1wu8 s ILE 31 CO 0.12 0.28 -0.06 -0.69 0.00 0.00 0.00 174.94 174.60 1wu8 s VAL 32 N 1.37 3.27 0.10 2.92 1.01 0.15 -4.98 120.40 124.25 1wu8 s VAL 32 Ca 0.11 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1wu8 s VAL 32 Cb -0.15 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 1wu8 s VAL 32 CO 0.07 0.44 1.00 -1.81 0.00 0.00 0.00 175.10 174.80 1wu8 s ASP 33 N 1.41 7.42 -0.11 3.32 -0.00 -1.26 -0.71 116.67 126.73 1wu8 s ASP 33 Ca 0.05 1.83 -0.10 0.00 -0.00 0.00 0.00 52.55 54.32 1wu8 s ASP 33 Cb -0.14 -2.59 -0.03 0.00 -0.00 0.00 0.00 42.92 40.16 1wu8 s ASP 33 CO -0.04 -0.14 -0.20 0.52 -0.00 0.00 0.00 175.17 175.31 1wu8 n VAL 34 N 2.97 0.92 -3.52 -1.27 0.31 -0.08 -4.85 118.33 112.81 1wu8 n VAL 34 Ca 0.03 0.28 -0.10 0.00 -0.01 0.00 0.00 64.34 64.55 1wu8 n VAL 34 Cb 0.49 -2.03 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 1wu8 n VAL 34 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1wu8 s THR 35 N -2.12 0.00 -0.02 2.52 -1.32 -1.18 -5.02 115.64 108.49 1wu8 s THR 35 Ca -0.17 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.35 1wu8 s THR 35 Cb 0.02 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.07 1wu8 s THR 35 CO 0.25 0.00 0.87 1.41 -2.21 0.00 0.00 174.62 174.94 1wu8 n HIS 36 N 0.07 0.00 -0.74 9.09 8.25 -1.25 -1.44 115.22 129.20 1wu8 n HIS 36 Ca -0.10 -0.27 0.08 0.00 -0.26 0.00 0.00 57.72 57.17 1wu8 n HIS 36 Cb 0.61 -0.05 0.25 0.00 1.12 0.00 0.00 29.99 31.91 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 -0.35 3.79 -4.75 0.41 7.64 -1.21 -0.16 113.62 118.99 1wu8 n SER 37 Ca 0.03 -2.70 -0.42 0.00 1.01 0.00 0.00 58.87 56.79 1wu8 n SER 37 Cb 0.54 -0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 1wu8 n SER 37 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1wu8 n VAL 38 N -0.06 1.08 -1.56 0.44 0.31 -1.10 -4.82 118.33 112.62 1wu8 n VAL 38 Ca 0.19 -0.27 -0.53 0.00 -0.01 0.00 0.00 64.34 63.73 1wu8 n VAL 38 Cb 0.78 -1.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.67 1wu8 n VAL 38 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1wu8 n THR 39 N 2.06 0.30 -1.74 2.52 -1.04 -1.26 -4.44 114.28 110.68 1wu8 n THR 39 Ca 0.08 -0.08 -0.66 0.00 -2.04 0.00 0.00 64.05 61.35 1wu8 n THR 39 Cb 0.37 -0.61 -0.09 0.00 -1.82 0.00 0.00 70.33 68.18 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 2.04 0.20 -0.90 -2.82 1.85 -1.26 -0.97 116.66 114.80 1wu8 n ARG 40 Ca 0.18 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 1wu8 n ARG 40 Cb 0.18 -1.61 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 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 4.20 0.00 -2.56 2.89 8.25 -1.26 -4.93 115.22 121.81 1wu8 n HIS 41 Ca 0.30 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.35 1wu8 n HIS 41 Cb -0.02 -1.36 -0.03 0.00 1.12 0.00 0.00 29.99 29.70 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 6.40 0.21 0.41 0.15 -0.14 -4.84 113.70 113.82 1wu8 s SER 42 Ca 0.00 -1.17 -0.07 0.00 0.70 0.00 0.00 55.95 55.41 1wu8 s SER 42 Cb 0.00 -2.56 0.16 0.00 -1.71 0.00 0.00 66.02 61.91 1wu8 s SER 42 CO 0.00 -1.60 1.77 0.40 1.20 0.00 0.00 173.24 175.01 1wu8 h ILE 43 N 6.56 1.26 -0.10 6.45 2.04 -1.89 -0.97 117.51 130.87 1wu8 h ILE 43 Ca 0.06 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1wu8 h ILE 43 Cb 1.02 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1wu8 h ILE 43 CO 1.38 0.35 -0.02 0.25 0.00 0.00 0.00 178.15 180.11 1wu8 h LEU 44 N 1.13 -0.07 -0.09 1.44 5.85 -1.93 0.18 115.31 121.82 1wu8 h LEU 44 Ca 0.25 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1wu8 h LEU 44 Cb 0.26 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1wu8 h LEU 44 CO -0.02 -0.02 0.06 -0.08 -0.34 0.00 0.00 178.44 178.04 1wu8 h GLU 45 N 0.01 0.12 -0.92 1.25 4.81 -1.75 -1.41 114.58 116.69 1wu8 h GLU 45 Ca 0.05 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1wu8 h GLU 45 Cb 0.06 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.36 1wu8 h GLU 45 CO -0.09 0.08 0.60 0.78 -0.73 0.00 0.00 179.01 179.65 1wu8 h GLY 46 N 0.12 1.36 1.18 1.92 0.00 -0.96 -1.66 103.07 105.03 1wu8 h GLY 46 Ca 0.03 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1wu8 h GLY 46 CO -0.01 0.31 0.13 0.23 0.00 0.00 0.00 176.54 177.21 1wu8 h SER 47 N 1.06 0.96 -0.50 0.19 0.87 -0.19 -2.90 113.55 113.05 1wu8 h SER 47 Ca 0.40 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.68 1wu8 h SER 47 Cb 0.18 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1wu8 h SER 47 CO -0.15 0.94 0.02 0.15 -0.53 0.00 0.00 176.83 177.26 1wu8 h PHE 48 N 0.96 0.95 0.00 2.24 3.04 -0.39 -1.60 116.94 122.14 1wu8 h PHE 48 Ca 0.20 -0.16 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1wu8 h PHE 48 Cb 0.37 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1wu8 h PHE 48 CO 0.03 0.88 0.00 0.28 -2.02 0.00 0.00 178.31 177.48 1wu8 n VAL 49 N -4.34 0.02 0.00 1.41 0.31 -0.75 -2.40 118.33 112.58 1wu8 n VAL 49 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1wu8 n VAL 49 Cb 0.30 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 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 0.58 0.00 -0.07 5.55 2.13 -0.60 -2.46 120.64 125.77 1wu8 n GLU 51 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1wu8 n GLU 51 Cb 0.02 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.70 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 0.35 -0.57 5.31 1.08 -1.76 -2.10 115.11 117.41 1wu8 h GLN 52 Ca 0.00 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1wu8 h GLN 52 Cb 0.00 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1wu8 h GLN 52 CO 0.00 0.27 0.31 0.28 -0.95 0.00 0.00 178.83 178.73 1wu8 h VAL 53 N 0.33 1.19 -0.61 -0.54 2.07 -1.78 -2.25 116.25 114.67 1wu8 h VAL 53 Ca 0.09 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1wu8 h VAL 53 Cb 0.01 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1wu8 h VAL 53 CO -0.02 0.21 0.40 0.58 0.02 0.00 0.00 177.57 178.76 1wu8 h VAL 54 N 0.77 1.03 -0.02 2.57 2.07 -1.78 -1.45 116.25 119.43 1wu8 h VAL 54 Ca 0.20 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1wu8 h VAL 54 Cb 0.06 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1wu8 h VAL 54 CO -0.03 0.12 -0.19 0.11 0.02 0.00 0.00 177.57 177.59 1wu8 h LYS 55 N 0.63 0.04 -0.01 1.57 1.57 -0.75 -2.99 116.57 116.63 1wu8 h LYS 55 Ca 0.26 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1wu8 h LYS 55 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1wu8 h LYS 55 CO -0.07 0.23 -0.42 0.66 -0.57 0.00 0.00 179.45 179.27 1wu8 n TYR 56 N -4.29 0.00 -2.31 -1.35 4.01 -0.86 -5.01 117.16 107.34 1wu8 n TYR 56 Ca -0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.33 1wu8 n TYR 56 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.27 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 -2.05 6.62 0.55 7.72 0.01 -0.60 -5.00 113.70 120.94 1wu8 s SER 57 Ca 0.12 2.34 -0.22 0.00 1.31 0.00 0.00 55.95 59.51 1wu8 s SER 57 Cb 0.13 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 1wu8 s SER 57 CO 0.46 -0.61 1.33 -2.84 0.41 0.00 0.00 173.24 172.00 1wu8 s PRO 58 N -2.20 3.15 0.48 12.44 0.02 -1.26 -4.92 135.00 142.71 1wu8 s PRO 58 Ca 0.55 2.18 -0.24 0.00 0.02 0.00 0.00 61.00 63.51 1wu8 s PRO 58 Cb -0.31 -2.24 -0.07 0.00 0.02 0.00 0.00 34.50 31.90 1wu8 s PRO 58 CO 0.39 -1.16 1.41 0.15 -0.33 0.00 0.00 177.00 177.46 1wu8 s LYS 59 N -2.93 3.52 0.00 5.54 -0.14 -1.26 -2.23 119.74 122.24 1wu8 s LYS 59 Ca 0.72 2.37 0.00 0.00 -1.36 0.00 0.00 55.97 57.69 1wu8 s LYS 59 Cb -0.39 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.23 1wu8 s LYS 59 CO 0.46 -0.93 0.00 0.41 -0.76 0.00 0.00 175.35 174.52 1wu8 n GLY 60 N 0.62 0.70 3.77 -3.33 0.00 -0.45 -5.01 105.19 101.49 1wu8 n GLY 60 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.29 2.71 -0.19 2.61 2.01 -0.95 -4.74 115.64 114.80 1wu8 s THR 61 Ca 0.00 0.63 -0.06 0.00 0.31 0.00 0.00 61.69 62.57 1wu8 s THR 61 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1wu8 s THR 61 CO 0.00 0.09 0.04 -0.69 -0.69 0.00 0.00 174.62 173.37 1wu8 s VAL 62 N -1.28 4.40 -0.28 3.82 1.01 -1.26 -1.11 120.40 125.71 1wu8 s VAL 62 Ca 0.56 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 1wu8 s VAL 62 Cb -0.37 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.05 1wu8 s VAL 62 CO 0.47 0.43 -0.01 -1.00 0.00 0.00 0.00 175.10 174.99 1wu8 s HIS 63 N 0.74 3.16 -0.26 5.22 3.76 0.15 -1.01 115.29 127.06 1wu8 s HIS 63 Ca 0.02 -1.62 -0.14 0.00 -0.15 0.00 0.00 55.06 53.16 1wu8 s HIS 63 Cb -0.14 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.41 1wu8 s HIS 63 CO 0.02 -0.75 0.35 0.08 -0.85 0.00 0.00 174.74 173.59 1wu8 s VAL 64 N 1.32 5.20 -0.11 -0.90 1.01 -0.40 -0.89 120.40 125.63 1wu8 s VAL 64 Ca -0.02 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1wu8 s VAL 64 Cb -0.18 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1wu8 s VAL 64 CO -0.02 0.19 -0.17 -0.83 0.00 0.00 0.00 175.10 174.27 1wu8 s GLY 65 N 1.52 1.12 -0.44 4.51 0.00 -0.31 -1.80 107.32 111.92 1wu8 s GLY 65 Ca 0.14 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1wu8 s GLY 65 CO 0.09 0.11 0.25 0.14 0.00 0.00 0.00 173.10 173.69 1wu8 s VAL 66 N 0.86 1.35 -0.41 1.40 1.01 0.11 -4.13 120.40 120.59 1wu8 s VAL 66 Ca -0.09 -2.56 0.03 0.00 0.00 0.00 0.00 61.98 59.36 1wu8 s VAL 66 Cb -0.15 -1.95 0.11 0.00 0.00 0.00 0.00 36.38 34.39 1wu8 s VAL 66 CO -0.00 -0.91 0.14 -0.63 0.00 0.00 0.00 175.10 173.70 1wu8 s ILE 67 N 0.33 2.51 -0.49 2.22 1.09 -1.26 -3.11 121.20 122.49 1wu8 s ILE 67 Ca 0.18 -2.66 0.07 0.00 -1.10 0.00 0.00 60.65 57.14 1wu8 s ILE 67 Cb -0.23 -2.80 0.24 0.00 -1.06 0.00 0.00 42.46 38.61 1wu8 s ILE 67 CO -0.01 -0.68 0.58 -0.67 -0.10 0.00 0.00 174.94 174.06 1wu8 n ASP 68 N 3.88 1.46 0.25 3.58 2.03 -1.26 -4.86 116.55 121.63 1wu8 n ASP 68 Ca 0.04 -2.94 0.11 0.00 0.52 0.00 0.00 54.79 52.51 1wu8 n ASP 68 Cb 0.39 -0.65 0.68 0.00 -0.72 0.00 0.00 41.12 40.81 1wu8 n ASP 68 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wu8 h PRO 69 N 4.26 0.00 -0.75 -0.67 0.13 -1.97 -1.84 132.00 131.15 1wu8 h PRO 69 Ca 0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 1wu8 h PRO 69 Cb 0.80 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 1wu8 h PRO 69 CO 0.59 0.13 0.06 0.41 -0.23 0.00 0.00 178.00 178.96 1wu8 n GLY 70 N -0.86 2.69 3.64 1.56 0.00 -1.26 -4.98 105.19 105.98 1wu8 n GLY 70 Ca -0.02 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.90 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 0.28 1.67 -0.73 1.61 3.14 -0.70 -1.55 118.33 122.05 1wu8 n VAL 71 Ca 0.22 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1wu8 n VAL 71 Cb 0.96 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 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 1.35 1.17 0.00 7.55 0.00 -1.19 -4.81 105.19 109.27 1wu8 n GLY 72 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.35 2.61 -2.24 -0.60 -4.97 114.28 107.43 1wu8 n THR 73 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1wu8 n THR 73 Cb 0.00 -1.37 0.56 0.00 -2.10 0.00 0.00 70.33 67.42 1wu8 n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1wu8 h GLU 74 N 0.00 0.00 -6.58 -0.78 4.57 -1.95 -3.45 114.58 106.39 1wu8 h GLU 74 Ca 0.00 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.59 1wu8 h GLU 74 Cb 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 28.75 28.68 1wu8 h GLU 74 CO 0.00 0.00 0.46 2.89 -1.18 0.00 0.00 179.01 181.18 1wu8 n ARG 75 N -2.68 1.84 -1.97 1.92 -4.01 -1.26 -4.96 116.66 105.54 1wu8 n ARG 75 Ca 0.02 0.65 -0.31 0.00 -1.04 0.00 0.00 57.85 57.17 1wu8 n ARG 75 Cb 0.29 -2.22 0.00 0.00 -3.04 0.00 0.00 32.46 27.50 1wu8 n ARG 75 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 1wu8 s ARG 76 N -1.01 3.63 -0.17 2.89 0.52 -1.26 -4.89 118.95 118.67 1wu8 s ARG 76 Ca 0.64 0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 56.55 1wu8 s ARG 76 Cb -0.66 -2.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 1wu8 s ARG 76 CO 0.55 -0.52 -0.06 0.00 0.02 0.00 0.00 175.30 175.30 1wu8 s ALA 77 N -3.10 2.88 0.21 2.13 0.00 -1.26 -0.01 121.76 122.61 1wu8 s ALA 77 Ca 0.55 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.66 1wu8 s ALA 77 Cb -0.11 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 1wu8 s ALA 77 CO 0.51 0.07 -0.11 0.96 0.00 0.00 0.00 175.76 177.19 1wu8 s ILE 78 N 0.63 1.53 -0.09 0.00 -4.36 -0.37 -0.07 121.20 118.47 1wu8 s ILE 78 Ca -0.03 -2.15 0.02 0.00 -0.26 0.00 0.00 60.65 58.23 1wu8 s ILE 78 Cb -0.15 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.47 1wu8 s ILE 78 CO 0.03 -0.55 -0.14 -0.69 0.24 0.00 0.00 174.94 173.83 1wu8 s VAL 79 N -3.10 1.33 -0.23 8.37 1.01 -0.04 -2.05 120.40 125.68 1wu8 s VAL 79 Ca 0.23 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 1wu8 s VAL 79 Cb 0.01 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1wu8 s VAL 79 CO 0.07 0.40 0.01 -0.63 0.00 0.00 0.00 175.10 174.95 1wu8 s ILE 80 N 0.87 3.86 -0.15 2.22 1.01 0.11 -0.31 121.20 128.81 1wu8 s ILE 80 Ca -0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 1wu8 s ILE 80 Cb -0.15 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1wu8 s ILE 80 CO 0.01 0.38 0.04 -0.70 0.00 0.00 0.00 174.94 174.67 1wu8 s GLU 81 N 1.53 3.66 0.00 2.79 2.12 0.03 -1.35 118.70 127.48 1wu8 s GLU 81 Ca 0.06 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.03 1wu8 s GLU 81 Cb -0.15 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1wu8 s GLU 81 CO 0.00 0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.54 1wu8 n GLY 82 N 3.08 1.08 0.33 -1.50 0.00 -1.26 0.04 105.19 106.95 1wu8 n GLY 82 Ca -0.17 0.07 0.20 0.00 0.00 0.00 0.00 46.02 46.11 1wu8 n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wu8 h ASP 83 N 0.00 0.40 -5.62 1.61 3.32 -1.60 -3.42 116.42 111.12 1wu8 h ASP 83 Ca 0.00 0.18 -0.29 0.00 0.02 0.00 0.00 57.03 56.94 1wu8 h ASP 83 Cb 0.00 0.15 -0.12 0.00 0.22 0.00 0.00 39.33 39.59 1wu8 h ASP 83 CO 0.00 -0.10 -0.40 -1.10 -1.72 0.00 0.00 179.24 175.92 1wu8 s GLN 84 N -5.76 1.60 0.09 3.56 -0.21 -1.26 -1.34 119.66 116.34 1wu8 s GLN 84 Ca -0.11 -1.73 0.07 0.00 0.02 0.00 0.00 55.36 53.61 1wu8 s GLN 84 Cb 0.28 0.36 -0.04 0.00 1.00 0.00 0.00 33.01 34.61 1wu8 s GLN 84 CO 0.79 -0.61 -0.12 0.71 -2.12 0.00 0.00 175.29 173.94 1wu8 s TYR 85 N -3.63 2.69 -0.06 0.91 1.51 -0.26 -4.64 117.35 113.86 1wu8 s TYR 85 Ca 0.35 -0.18 0.04 0.00 -1.01 0.00 0.00 57.07 56.27 1wu8 s TYR 85 Cb 0.03 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1wu8 s TYR 85 CO 0.18 0.39 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.32 1wu8 s LEU 86 N -2.03 1.91 -0.29 -1.29 1.43 -0.46 -0.68 118.68 117.27 1wu8 s LEU 86 Ca 0.20 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1wu8 s LEU 86 Cb -0.11 -1.08 0.09 0.00 0.03 0.00 0.00 46.19 45.13 1wu8 s LEU 86 CO 0.11 0.14 0.07 -0.69 0.23 0.00 0.00 176.35 176.21 1wu8 s VAL 87 N 0.23 1.13 0.21 -1.59 1.01 -0.07 0.10 120.40 121.42 1wu8 s VAL 87 Ca -0.10 -1.44 -0.08 0.00 0.00 0.00 0.00 61.98 60.36 1wu8 s VAL 87 Cb -0.14 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1wu8 s VAL 87 CO 0.04 -0.55 0.32 0.68 0.00 0.00 0.00 175.10 175.60 1wu8 s VAL 88 N 1.51 0.02 0.52 2.92 -7.23 -0.87 -1.16 120.40 116.11 1wu8 s VAL 88 Ca 0.07 -1.57 -0.18 0.00 -1.81 0.00 0.00 61.98 58.49 1wu8 s VAL 88 Cb -0.18 -2.18 -0.07 0.00 0.56 0.00 0.00 36.38 34.52 1wu8 s VAL 88 CO -0.19 -0.09 1.03 -2.16 -0.31 0.00 0.00 175.10 173.38 1wu8 s PRO 89 N -4.04 3.70 -1.35 4.82 0.04 -1.26 -1.24 135.00 135.67 1wu8 s PRO 89 Ca 0.25 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.34 1wu8 s PRO 89 Cb 0.03 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.56 1wu8 s PRO 89 CO 0.07 -0.49 1.91 -3.47 0.04 0.00 0.00 177.00 175.06 1wu8 n ASP 90 N -1.44 4.59 -0.44 6.66 2.03 0.99 -4.40 116.55 124.54 1wu8 n ASP 90 Ca 0.08 -2.93 0.02 0.00 0.52 0.00 0.00 54.79 52.48 1wu8 n ASP 90 Cb 0.53 -1.65 0.02 0.00 -0.72 0.00 0.00 41.12 39.30 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 6.49 0.40 0.00 1.67 0.23 -1.26 -4.52 115.26 118.27 1wu8 n ASN 91 Ca 0.47 -2.18 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 1wu8 n ASN 91 Cb 0.41 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 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 -0.23 1.10 0.44 4.83 0.00 -1.23 -4.86 105.19 105.24 1wu8 n GLY 92 Ca 0.03 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.30 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 0.15 -0.00 0.99 5.85 -1.84 -0.29 115.31 120.17 1wu8 h LEU 93 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1wu8 h LEU 93 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1wu8 h LEU 93 CO 0.00 0.05 -0.01 0.00 -0.34 0.00 0.00 178.44 178.15 1wu8 n ALA 94 N -2.64 2.41 -0.21 1.25 0.00 -1.26 -4.23 120.51 115.83 1wu8 n ALA 94 Ca 0.19 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 1wu8 n ALA 94 Cb 0.86 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 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 0.01 0.00 -0.15 0.00 2.02 -1.35 -0.24 112.91 113.20 1wu8 h THR 95 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1wu8 h THR 95 Cb 0.42 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1wu8 h THR 95 CO 0.00 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.80 1wu8 h LEU 96 N -0.17 0.28 -1.42 2.58 3.38 -1.81 -3.17 115.31 114.98 1wu8 h LEU 96 Ca 0.09 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1wu8 h LEU 96 Cb 0.41 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1wu8 h LEU 96 CO -0.59 0.55 0.46 -0.65 0.09 0.00 0.00 178.44 178.30 1wu8 h PRO 97 N -0.01 0.68 -0.49 1.13 0.11 -1.68 -1.82 132.00 129.93 1wu8 h PRO 97 Ca 0.04 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 66.25 1wu8 h PRO 97 Cb 0.43 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1wu8 h PRO 97 CO 0.01 0.45 0.39 -0.07 -0.21 0.00 0.00 178.00 178.57 1wu8 h LEU 98 N 0.70 0.00 -2.80 2.35 3.38 -1.01 -1.17 115.31 116.76 1wu8 h LEU 98 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1wu8 h LEU 98 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1wu8 h LEU 98 CO -0.10 0.00 0.03 0.11 0.09 0.00 0.00 178.44 178.57 1wu8 h LYS 99 N 0.00 0.00 -0.03 1.13 1.57 -1.44 -2.56 116.57 115.24 1wu8 h LYS 99 Ca 0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1wu8 h LYS 99 Cb 1.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 1wu8 h LYS 99 CO -0.00 0.00 -0.10 0.72 -0.57 0.00 0.00 179.45 179.50 1wu8 n HIS 100 N -3.24 0.11 -4.67 -1.35 8.25 -0.44 -4.99 115.22 108.88 1wu8 n HIS 100 Ca -0.03 -1.10 -0.26 0.00 -0.26 0.00 0.00 57.72 56.06 1wu8 n HIS 100 Cb 0.10 -0.19 -0.17 0.00 1.12 0.00 0.00 29.99 30.85 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 -2.96 1.33 -0.73 1.59 1.01 -0.97 -4.94 121.20 115.55 1wu8 s ILE 101 Ca 0.34 -0.59 -0.27 0.00 0.00 0.00 0.00 60.65 60.14 1wu8 s ILE 101 Cb 0.31 -1.20 0.03 0.00 0.01 0.00 0.00 42.46 41.61 1wu8 s ILE 101 CO 0.01 0.40 1.25 -0.75 0.00 0.00 0.00 174.94 175.85 1wu8 s LYS 102 N 0.66 3.20 0.05 2.79 2.20 -1.26 -4.87 119.74 122.50 1wu8 s LYS 102 Ca -0.14 -0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 54.89 1wu8 s LYS 102 Cb -0.16 -4.18 -0.05 0.00 -1.51 0.00 0.00 37.83 31.93 1wu8 s LYS 102 CO 0.04 -2.10 1.16 0.08 -0.36 0.00 0.00 175.35 174.16 1wu8 s VAL 103 N 5.56 4.20 -0.26 4.02 1.01 -1.26 -1.48 120.40 132.19 1wu8 s VAL 103 Ca 0.34 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.91 1wu8 s VAL 103 Cb -0.09 -4.01 -0.16 0.00 0.00 0.00 0.00 36.38 32.12 1wu8 s VAL 103 CO 0.15 0.12 -0.23 1.17 0.00 0.00 0.00 175.10 176.30 1wu8 n LYS 104 N 3.95 0.64 -3.60 2.72 4.81 0.11 -4.95 118.16 121.83 1wu8 n LYS 104 Ca 0.08 0.15 -0.05 0.00 -0.87 0.00 0.00 58.31 57.63 1wu8 n LYS 104 Cb 0.47 -1.51 -0.02 0.00 0.02 0.00 0.00 35.03 34.00 1wu8 n LYS 104 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1wu8 s SER 105 N -6.55 -0.21 0.06 3.14 1.04 -0.94 -5.04 113.70 105.20 1wu8 s SER 105 Ca -0.35 -0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.04 1wu8 s SER 105 Cb 0.09 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 1wu8 s SER 105 CO 0.58 -0.50 -0.17 -0.69 0.98 0.00 0.00 173.24 173.44 1wu8 s VAL 106 N -2.82 1.40 0.07 5.02 1.01 -1.26 -0.79 120.40 123.03 1wu8 s VAL 106 Ca 0.09 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 60.91 1wu8 s VAL 106 Cb -0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1wu8 s VAL 106 CO -0.05 0.03 -0.11 -0.31 0.00 0.00 0.00 175.10 174.66 1wu8 s TYR 107 N -0.94 1.01 -0.19 5.22 2.02 0.57 -1.29 117.35 123.76 1wu8 s TYR 107 Ca 0.04 -0.52 -0.09 0.00 -0.37 0.00 0.00 57.07 56.12 1wu8 s TYR 107 Cb -0.09 -0.57 -0.05 0.00 -0.40 0.00 0.00 41.96 40.85 1wu8 s TYR 107 CO 0.02 0.00 0.12 -2.00 -1.57 0.00 0.00 175.55 172.12 1wu8 s GLU 108 N -1.98 4.12 -0.11 -0.62 2.12 0.03 -0.86 118.70 121.40 1wu8 s GLU 108 Ca -0.02 -0.24 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 1wu8 s GLU 108 Cb -0.08 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1wu8 s GLU 108 CO 0.01 0.31 1.19 0.42 -0.54 0.00 0.00 175.26 176.65 1wu8 s ILE 109 N 0.32 4.35 -0.55 -3.70 1.01 0.91 -1.76 121.20 121.76 1wu8 s ILE 109 Ca 0.07 1.65 -0.20 0.00 0.00 0.00 0.00 60.65 62.18 1wu8 s ILE 109 Cb -0.11 -4.06 0.07 0.00 0.01 0.00 0.00 42.46 38.36 1wu8 s ILE 109 CO -0.01 -0.06 0.71 -0.63 0.00 0.00 0.00 174.94 174.94 1wu8 s ILE 110 N 2.72 4.76 0.17 2.92 1.01 -0.51 -4.66 121.20 127.61 1wu8 s ILE 110 Ca 0.54 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 1wu8 s ILE 110 Cb -0.22 -4.42 0.20 0.00 0.01 0.00 0.00 42.46 38.04 1wu8 s ILE 110 CO 0.18 -1.00 1.14 -2.65 0.00 0.00 0.00 174.94 172.61 1wu8 n PRO 111 N 6.48 -0.15 -0.09 2.79 -0.02 -1.26 -0.60 135.00 142.16 1wu8 n PRO 111 Ca -0.06 1.13 -0.00 0.00 -2.02 0.00 0.00 63.50 62.54 1wu8 n PRO 111 Cb 0.45 -1.68 0.27 0.00 -0.02 0.00 0.00 33.50 32.52 1wu8 n PRO 111 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wu8 h ASP 112 N 0.00 0.66 0.56 2.55 3.45 -1.96 -0.66 116.42 121.02 1wu8 h ASP 112 Ca 0.27 -0.08 -0.09 0.00 0.43 0.00 0.00 57.03 57.56 1wu8 h ASP 112 Cb 0.45 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 1wu8 h ASP 112 CO -0.73 0.60 -0.42 0.11 -1.57 0.00 0.00 179.24 177.23 1wu8 h LYS 113 N 0.71 0.00 -0.06 3.56 1.57 -1.17 -2.89 116.57 118.29 1wu8 h LYS 113 Ca 0.17 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.76 1wu8 h LYS 113 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1wu8 h LYS 113 CO -0.02 0.42 -0.72 0.82 -0.57 0.00 0.00 179.45 179.38 1wu8 h ILE 114 N 0.00 1.34 0.00 1.86 1.08 -0.85 -3.12 117.51 117.81 1wu8 h ILE 114 Ca -0.00 -2.02 -0.00 0.00 -0.39 0.00 0.00 64.86 62.44 1wu8 h ILE 114 Cb 0.81 2.29 -0.00 0.00 -3.07 0.00 0.00 36.82 36.85 1wu8 h ILE 114 CO 0.05 0.62 -0.01 -0.09 -0.69 0.00 0.00 178.15 178.03 1wu8 h ARG 115 N 0.23 0.00 0.00 2.37 2.43 -1.00 0.98 114.38 119.39 1wu8 h ARG 115 Ca -0.07 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1wu8 h ARG 115 Cb 1.38 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 1wu8 h ARG 115 CO 0.15 0.01 -0.21 -0.22 -1.51 0.00 0.00 179.97 178.18 1wu8 h LYS 116 N 0.00 0.00 0.09 0.20 3.64 -1.44 -1.51 116.57 117.54 1wu8 h LYS 116 Ca -0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.01 1wu8 h LYS 116 Cb 0.11 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1wu8 h LYS 116 CO 0.00 0.21 -2.14 1.19 -2.27 0.00 0.00 179.45 176.44 1wu8 n PHE 117 N -3.44 0.89 0.01 1.91 3.72 0.28 -4.57 117.46 116.25 1wu8 n PHE 117 Ca -0.00 0.19 -0.18 0.00 -0.05 0.00 0.00 57.45 57.41 1wu8 n PHE 117 Cb 0.39 -1.12 -0.12 0.00 -0.94 0.00 0.00 39.48 37.69 1wu8 n PHE 117 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1wu8 h THR 118 N 0.05 1.51 0.00 4.37 1.35 -1.38 -3.48 112.91 115.32 1wu8 h THR 118 Ca -0.47 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 1wu8 h THR 118 Cb 2.00 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 71.32 1wu8 h THR 118 CO 0.04 0.63 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1wu8 n GLY 119 N 1.31 0.73 3.21 5.82 0.00 -0.57 -5.05 105.19 110.64 1wu8 n GLY 119 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.75 1.21 0.38 1.61 -2.14 -1.26 -5.10 118.94 110.89 1wu8 s TRP 120 Ca 0.00 -0.64 -0.28 0.00 2.66 0.00 0.00 56.10 57.84 1wu8 s TRP 120 Cb 0.00 -0.64 -0.11 0.00 -3.10 0.00 0.00 33.47 29.62 1wu8 s TRP 120 CO 0.00 0.06 1.50 0.39 -2.66 0.00 0.00 176.95 176.24 1wu8 n GLU 121 N 0.41 2.70 -2.89 3.25 1.02 -1.26 -4.85 120.64 119.02 1wu8 n GLU 121 Ca -0.15 0.95 -0.42 0.00 -0.02 0.00 0.00 57.16 57.52 1wu8 n GLU 121 Cb 0.58 -2.69 -0.04 0.00 -0.02 0.00 0.00 31.44 29.27 1wu8 n GLU 121 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wu8 s ILE 122 N -1.12 4.85 1.07 -3.67 1.01 -1.26 -4.97 121.20 117.12 1wu8 s ILE 122 Ca 0.53 1.61 -0.16 0.00 0.00 0.00 0.00 60.65 62.62 1wu8 s ILE 122 Cb -0.47 -4.13 0.23 0.00 0.01 0.00 0.00 42.46 38.10 1wu8 s ILE 122 CO 0.64 -0.03 1.16 -0.94 0.00 0.00 0.00 174.94 175.77 1wu8 s SER 123 N 1.25 2.08 -0.02 3.58 1.04 -1.26 -5.00 113.70 115.37 1wu8 s SER 123 Ca 0.37 0.68 0.20 0.00 0.48 0.00 0.00 55.95 57.68 1wu8 s SER 123 Cb -0.16 -1.00 -0.28 0.00 0.10 0.00 0.00 66.02 64.68 1wu8 s SER 123 CO 0.09 -3.41 0.59 -1.20 0.98 0.00 0.00 173.24 170.29 1wu8 n SER 124 N -4.29 0.52 0.00 7.02 7.64 -1.26 -4.55 113.62 118.69 1wu8 n SER 124 Ca 0.11 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1wu8 n SER 124 Cb 0.59 1.62 0.00 0.00 -1.01 0.00 0.00 64.21 65.41 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 -1.96 0.26 -3.17 0.44 -2.24 -1.26 -3.17 114.28 103.19 1wu8 n THR 125 Ca -0.01 -0.63 -0.22 0.00 -2.27 0.00 0.00 64.05 60.92 1wu8 n THR 125 Cb 0.46 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.13 -0.39 0.56 4.78 -0.00 -1.26 -4.94 117.46 116.08 1wu8 n PHE 126 Ca 0.00 -3.53 0.12 0.00 -0.00 0.00 0.00 57.45 54.03 1wu8 n PHE 126 Cb 0.07 -0.27 0.45 0.00 -0.00 0.00 0.00 39.48 39.73 1wu8 n PHE 126 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1wu8 n HIS 127 N 1.16 0.58 -0.09 -5.13 8.25 -1.26 -2.62 115.22 116.12 1wu8 n HIS 127 Ca 0.21 0.20 -0.06 0.00 -0.26 0.00 0.00 57.72 57.82 1wu8 n HIS 127 Cb 0.56 -0.83 0.13 0.00 1.12 0.00 0.00 29.99 30.97 1wu8 n HIS 127 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1wu8 h GLY 128 N 3.25 0.82 1.47 -1.41 0.00 -1.94 0.65 103.07 105.90 1wu8 h GLY 128 Ca 0.00 -0.63 -0.26 0.00 0.00 0.00 0.00 47.33 46.44 1wu8 h GLY 128 CO 0.00 0.58 -1.37 -0.09 0.00 0.00 0.00 176.54 175.66 1wu8 h ARG 129 N 0.68 0.08 0.00 4.80 2.43 -1.90 -0.53 114.38 119.94 1wu8 h ARG 129 Ca 0.11 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1wu8 h ARG 129 Cb 0.62 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1wu8 h ARG 129 CO 0.04 0.88 -1.87 -0.25 -1.51 0.00 0.00 179.97 177.27 1wu8 n ASP 130 N -3.29 0.31 0.03 -3.80 10.43 -1.08 -4.55 116.55 114.61 1wu8 n ASP 130 Ca -0.10 -0.08 0.00 0.00 2.57 0.00 0.00 54.79 57.18 1wu8 n ASP 130 Cb 1.00 1.87 0.00 0.00 1.84 0.00 0.00 41.12 45.84 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 -2.16 0.34 -0.03 0.53 5.41 0.21 -4.78 119.36 118.88 1wu8 n ILE 131 Ca -0.03 0.11 -0.09 0.00 1.00 0.00 0.00 62.75 63.74 1wu8 n ILE 131 Cb 0.52 -0.91 -0.03 0.00 -0.71 0.00 0.00 39.64 38.51 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 -0.06 0.41 1.39 0.04 -1.26 -0.81 116.94 116.66 1wu8 h PHE 132 Ca 0.00 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1wu8 h PHE 132 Cb 0.00 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1wu8 h PHE 132 CO 0.00 -0.06 -0.22 0.78 -0.60 0.00 0.00 178.31 178.21 1wu8 h GLY 133 N 0.02 -0.61 0.63 -1.45 0.00 -1.29 -1.80 103.07 98.57 1wu8 h GLY 133 Ca 0.08 0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1wu8 h GLY 133 CO -0.17 -0.23 0.39 -2.55 0.00 0.00 0.00 176.54 173.99 1wu8 h PRO 134 N -0.59 0.68 -0.82 4.80 0.11 -1.77 -1.43 132.00 132.98 1wu8 h PRO 134 Ca -0.05 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.08 1wu8 h PRO 134 Cb 0.46 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 31.36 1wu8 h PRO 134 CO 0.07 0.45 0.51 0.00 -0.21 0.00 0.00 178.00 178.82 1wu8 h ALA 135 N 1.38 1.13 -0.48 -0.75 0.00 -0.98 0.17 119.26 119.72 1wu8 h ALA 135 Ca 0.32 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1wu8 h ALA 135 Cb 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1wu8 h ALA 135 CO -0.20 0.24 0.01 0.78 0.00 0.00 0.00 179.25 180.07 1wu8 h GLY 136 N 0.93 0.91 1.15 0.00 0.00 -0.60 -1.91 103.07 103.56 1wu8 h GLY 136 Ca 0.36 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1wu8 h GLY 136 CO -0.17 0.62 0.39 0.00 0.00 0.00 0.00 176.54 177.37 1wu8 h ALA 137 N 0.93 1.22 -0.04 3.60 0.00 -0.47 -0.85 119.26 123.65 1wu8 h ALA 137 Ca 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wu8 h ALA 137 Cb 0.50 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wu8 h ALA 137 CO 0.02 0.60 0.01 -0.07 0.00 0.00 0.00 179.25 179.81 1wu8 h LEU 138 N 1.09 0.06 -0.77 0.00 3.38 -0.77 -2.51 115.31 115.79 1wu8 h LEU 138 Ca 0.27 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1wu8 h LEU 138 Cb 0.09 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1wu8 h LEU 138 CO -0.04 0.30 0.48 0.40 0.09 0.00 0.00 178.44 179.67 1wu8 h ILE 139 N -0.19 1.07 -0.94 1.22 2.04 -1.14 -1.50 117.51 118.08 1wu8 h ILE 139 Ca 0.01 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.64 1wu8 h ILE 139 Cb 0.26 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.36 1wu8 h ILE 139 CO 0.00 0.17 0.61 -0.08 0.00 0.00 0.00 178.15 178.84 1wu8 h GLU 140 N 0.91 0.99 -0.67 2.37 4.57 -1.05 -1.67 114.58 120.03 1wu8 h GLU 140 Ca 0.32 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1wu8 h GLU 140 Cb 0.08 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1wu8 h GLU 140 CO -0.14 0.65 0.00 0.36 -1.18 0.00 0.00 179.01 178.71 1wu8 n LYS 141 N -4.52 3.01 -0.03 1.92 2.85 -0.76 -4.91 118.16 115.72 1wu8 n LYS 141 Ca 0.15 -1.83 0.00 0.00 -1.05 0.00 0.00 58.31 55.58 1wu8 n LYS 141 Cb 0.25 -1.80 0.00 0.00 -0.65 0.00 0.00 35.03 32.83 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 0.60 0.36 3.71 2.58 0.00 -0.63 -5.07 105.19 106.75 1wu8 n GLY 142 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.12 3.45 0.36 -0.61 -1.09 -0.64 -4.98 121.20 115.57 1wu8 s ILE 143 Ca 0.00 1.01 -0.26 0.00 -2.23 0.00 0.00 60.65 59.16 1wu8 s ILE 143 Cb 0.00 -3.64 -0.09 0.00 -1.58 0.00 0.00 42.46 37.15 1wu8 s ILE 143 CO 0.00 0.06 1.11 -1.00 -1.23 0.00 0.00 174.94 173.88 1wu8 s HIS 144 N 1.40 3.29 0.52 3.97 3.76 -1.26 -4.04 115.29 122.93 1wu8 s HIS 144 Ca 0.64 1.63 0.19 0.00 -0.15 0.00 0.00 55.06 57.37 1wu8 s HIS 144 Cb -0.35 -3.28 1.31 0.00 1.11 0.00 0.00 32.58 31.37 1wu8 s HIS 144 CO 0.29 -0.86 2.09 -1.35 -0.85 0.00 0.00 174.74 174.07 1wu8 h PRO 145 N 2.98 0.01 -0.69 8.40 0.11 -1.96 -1.18 132.00 139.67 1wu8 h PRO 145 Ca -0.48 -0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.81 1wu8 h PRO 145 Cb 1.22 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1wu8 h PRO 145 CO 0.64 0.01 0.48 0.93 -0.21 0.00 0.00 178.00 179.85 1wu8 h GLU 146 N 0.01 0.10 0.00 1.05 3.07 -1.92 0.29 114.58 117.19 1wu8 h GLU 146 Ca 0.10 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1wu8 h GLU 146 Cb 0.37 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1wu8 h GLU 146 CO -0.00 0.07 -0.05 0.93 -1.40 0.00 0.00 179.01 178.56 1wu8 h GLU 147 N 0.10 0.00 0.00 2.33 4.39 -1.59 -3.18 114.58 116.64 1wu8 h GLU 147 Ca 0.33 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.93 1wu8 h GLU 147 Cb 1.17 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.61 1wu8 h GLU 147 CO -0.04 0.05 -0.77 1.97 -1.16 0.00 0.00 179.01 179.06 1wu8 n PHE 148 N -4.31 0.00 -3.65 4.33 -1.74 -0.00 -4.91 117.46 107.18 1wu8 n PHE 148 Ca -0.03 -0.84 -0.03 0.00 -0.56 0.00 0.00 57.45 55.99 1wu8 n PHE 148 Cb 0.13 -0.18 -0.01 0.00 1.52 0.00 0.00 39.48 40.94 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 -2.40 -0.33 -0.08 4.97 0.00 -0.62 -1.43 107.32 107.42 1wu8 s GLY 149 Ca 0.33 0.61 0.02 0.00 0.00 0.00 0.00 44.72 45.68 1wu8 s GLY 149 CO -0.11 0.16 -0.15 1.09 0.00 0.00 0.00 173.10 174.09 1wu8 s ARG 150 N -2.96 2.86 0.58 2.90 1.70 -0.72 -4.42 118.95 118.89 1wu8 s ARG 150 Ca 0.11 -0.71 -0.20 0.00 -0.47 0.00 0.00 55.73 54.46 1wu8 s ARG 150 Cb 0.00 -2.46 -0.04 0.00 -0.57 0.00 0.00 34.95 31.88 1wu8 s ARG 150 CO -0.02 0.44 1.28 -1.91 -1.08 0.00 0.00 175.30 174.00 1wu8 n GLU 151 N 2.85 1.40 -4.10 3.89 2.13 -1.26 -0.79 120.64 124.76 1wu8 n GLU 151 Ca -0.18 0.53 -0.09 0.00 0.66 0.00 0.00 57.16 58.08 1wu8 n GLU 151 Cb 0.52 -2.49 -0.09 0.00 0.27 0.00 0.00 31.44 29.65 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 -1.34 0.11 -0.02 6.31 -4.36 -0.41 -4.80 121.20 116.70 1wu8 s ILE 152 Ca 0.75 -1.79 -0.30 0.00 -0.26 0.00 0.00 60.65 59.05 1wu8 s ILE 152 Cb -0.41 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.35 1wu8 s ILE 152 CO 0.46 -0.52 1.11 -2.84 0.24 0.00 0.00 174.94 173.40 1wu8 s PRO 153 N -4.01 4.44 0.24 0.37 0.02 -1.26 -4.13 135.00 130.67 1wu8 s PRO 153 Ca 0.20 1.59 -0.14 0.00 0.02 0.00 0.00 61.00 62.67 1wu8 s PRO 153 Cb 0.07 -3.47 0.31 0.00 0.02 0.00 0.00 34.50 31.43 1wu8 s PRO 153 CO -0.01 -0.27 1.57 0.28 -0.33 0.00 0.00 177.00 178.25 1wu8 h VAL 154 N 4.83 0.08 0.00 3.83 2.07 -1.97 0.80 116.25 125.89 1wu8 h VAL 154 Ca -0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1wu8 h VAL 154 Cb 1.19 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1wu8 h VAL 154 CO 0.82 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.88 1wu8 n ASP 155 N -5.53 0.00 0.13 0.57 10.43 -1.26 -2.56 116.55 118.33 1wu8 n ASP 155 Ca 0.11 0.39 0.07 0.00 2.57 0.00 0.00 54.79 57.94 1wu8 n ASP 155 Cb 0.42 -0.41 0.03 0.00 1.84 0.00 0.00 41.12 43.01 1wu8 n ASP 155 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 1wu8 h SER 156 N 0.00 0.00 -4.15 -2.24 4.64 0.25 -3.47 113.55 108.58 1wu8 h SER 156 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1wu8 h SER 156 Cb 0.03 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.20 1wu8 h SER 156 CO 0.00 0.25 0.40 0.27 -0.87 0.00 0.00 176.83 176.87 1wu8 s ILE 157 N -3.13 3.33 0.48 0.95 -4.36 -1.06 -4.99 121.20 112.42 1wu8 s ILE 157 Ca 0.02 0.71 -0.23 0.00 -0.26 0.00 0.00 60.65 60.89 1wu8 s ILE 157 Cb 0.08 -3.24 -0.07 0.00 1.25 0.00 0.00 42.46 40.49 1wu8 s ILE 157 CO 0.75 -0.29 1.29 -0.69 0.24 0.00 0.00 174.94 176.24 1wu8 s VAL 158 N -2.11 2.52 0.02 8.37 1.01 -1.26 -5.01 120.40 123.94 1wu8 s VAL 158 Ca 0.69 0.41 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1wu8 s VAL 158 Cb -0.21 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1wu8 s VAL 158 CO 0.34 0.01 -0.04 -0.54 0.00 0.00 0.00 175.10 174.88 1wu8 s LYS 159 N -2.68 0.32 0.28 2.72 1.02 -1.26 -3.52 119.74 116.62 1wu8 s LYS 159 Ca 0.65 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 56.06 1wu8 s LYS 159 Cb -0.36 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.94 1wu8 s LYS 159 CO 0.44 -0.03 0.48 -0.51 -0.92 0.00 0.00 175.35 174.82 1wu8 s LEU 160 N -1.35 4.12 -0.27 3.17 1.43 -1.26 -4.90 118.68 119.61 1wu8 s LEU 160 Ca -0.14 0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 53.19 1wu8 s LEU 160 Cb -0.09 -3.28 -0.00 0.00 0.03 0.00 0.00 46.19 42.85 1wu8 s LEU 160 CO -0.01 -0.17 0.80 0.20 0.23 0.00 0.00 176.35 177.40 1wu8 s ASN 161 N -3.55 6.74 0.00 2.29 0.01 -1.26 -4.87 114.94 114.30 1wu8 s ASN 161 Ca 0.40 0.85 0.00 0.00 -0.71 0.00 0.00 52.86 53.40 1wu8 s ASN 161 Cb -0.10 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1wu8 s ASN 161 CO 0.32 -0.55 0.48 1.33 -1.51 0.00 0.00 177.10 177.17 1wu8 n VAL 162 N 5.38 0.23 -2.68 1.60 0.24 -1.26 -5.08 118.33 116.76 1wu8 n VAL 162 Ca 0.04 -0.33 -0.39 0.00 -2.04 0.00 0.00 64.34 61.63 1wu8 n VAL 162 Cb 0.48 1.15 -0.06 0.00 -1.47 0.00 0.00 33.84 33.94 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 -0.23 4.63 0.33 7.34 0.41 -1.26 -4.98 118.70 124.94 1wu8 s GLU 163 Ca 0.00 1.50 -0.18 0.00 -0.41 0.00 0.00 54.97 55.88 1wu8 s GLU 163 Cb 0.00 -3.00 -0.09 0.00 -1.78 0.00 0.00 34.13 29.26 1wu8 s GLU 163 CO 0.00 0.29 0.79 -1.25 -0.49 0.00 0.00 175.26 174.60 1wu8 s PRO 164 N -1.71 4.13 0.04 0.39 0.04 -1.26 -4.95 135.00 131.67 1wu8 s PRO 164 Ca 0.47 0.84 0.03 0.00 0.04 0.00 0.00 61.00 62.38 1wu8 s PRO 164 Cb -0.24 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 1wu8 s PRO 164 CO 0.30 0.16 0.00 1.03 0.04 0.00 0.00 177.00 178.54 1wu8 s ARG 165 N -2.79 2.70 -0.08 4.56 0.52 -1.08 -4.99 118.95 117.79 1wu8 s ARG 165 Ca 0.54 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1wu8 s ARG 165 Cb -0.12 -2.62 0.02 0.00 0.52 0.00 0.00 34.95 32.75 1wu8 s ARG 165 CO 0.17 0.59 -0.06 0.21 0.02 0.00 0.00 175.30 176.23 1wu8 s LYS 166 N -1.89 1.22 -0.87 3.54 2.20 -1.26 0.63 119.74 123.31 1wu8 s LYS 166 Ca 0.22 -0.19 -0.06 0.00 -0.36 0.00 0.00 55.97 55.58 1wu8 s LYS 166 Cb -0.12 -1.23 0.22 0.00 -1.51 0.00 0.00 37.83 35.19 1wu8 s LYS 166 CO 0.14 -0.15 0.78 -1.21 -0.36 0.00 0.00 175.35 174.54 1wu8 s GLU 167 N 1.29 3.40 4.87 4.03 2.02 0.18 -4.93 118.70 129.56 1wu8 s GLU 167 Ca -0.04 -2.92 0.00 0.00 0.02 0.00 0.00 54.97 52.03 1wu8 s GLU 167 Cb -0.14 -4.15 0.00 0.00 0.10 0.00 0.00 34.13 29.95 1wu8 s GLU 167 CO -0.03 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.42 1wu8 n GLY 168 N 3.04 1.80 0.00 -1.39 0.00 -1.26 -2.67 105.19 104.72 1wu8 n GLY 168 Ca 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 8.24 1.65 -4.71 1.61 5.75 -1.26 -4.96 116.55 122.86 1wu8 n ASP 169 Ca 0.00 -1.84 -0.38 0.00 -0.01 0.00 0.00 54.79 52.55 1wu8 n ASP 169 Cb 0.00 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.02 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 -0.85 5.16 0.10 2.12 1.01 -1.09 -4.49 120.40 122.35 1wu8 s VAL 170 Ca 0.01 1.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.89 1wu8 s VAL 170 Cb 0.00 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 1wu8 s VAL 170 CO 0.00 0.30 0.42 0.26 0.00 0.00 0.00 175.10 176.08 1wu8 s TRP 171 N 0.79 3.57 -0.58 5.22 0.52 0.26 0.50 118.94 129.21 1wu8 s TRP 171 Ca 0.27 0.80 0.03 0.00 0.02 0.00 0.00 56.10 57.23 1wu8 s TRP 171 Cb -0.15 -2.17 0.14 0.00 -1.15 0.00 0.00 33.47 30.14 1wu8 s TRP 171 CO 0.11 0.49 0.34 0.42 0.02 0.00 0.00 176.95 178.33 1wu8 s ILE 172 N -1.44 2.81 0.37 2.03 1.01 0.21 0.03 121.20 126.21 1wu8 s ILE 172 Ca 0.35 -3.52 -0.03 0.00 0.00 0.00 0.00 60.65 57.44 1wu8 s ILE 172 Cb -0.14 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1wu8 s ILE 172 CO 0.19 -0.86 0.63 -0.76 0.00 0.00 0.00 174.94 174.13 1wu8 s LEU 173 N -0.57 3.91 0.02 2.97 1.43 -0.70 -2.65 118.68 123.09 1wu8 s LEU 173 Ca 0.19 0.69 0.07 0.00 -1.03 0.00 0.00 54.13 54.05 1wu8 s LEU 173 Cb -0.20 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 1wu8 s LEU 173 CO -0.04 -0.35 -0.20 -0.75 0.23 0.00 0.00 176.35 175.24 1wu8 s LYS 174 N -4.19 2.11 -0.64 1.70 2.47 -1.26 -0.52 119.74 119.40 1wu8 s LYS 174 Ca 0.44 -0.94 -0.27 0.00 -1.56 0.00 0.00 55.97 53.63 1wu8 s LYS 174 Cb -0.10 -2.17 0.02 0.00 -1.46 0.00 0.00 37.83 34.12 1wu8 s LYS 174 CO 0.37 0.55 1.36 0.08 0.16 0.00 0.00 175.35 177.87 1wu8 s VAL 175 N -0.83 3.76 -0.70 4.02 1.01 -0.29 -1.35 120.40 126.03 1wu8 s VAL 175 Ca 0.13 0.57 0.24 0.00 0.00 0.00 0.00 61.98 62.92 1wu8 s VAL 175 Cb -0.10 -4.63 -0.00 0.00 0.00 0.00 0.00 36.38 31.64 1wu8 s VAL 175 CO 0.03 -1.45 1.26 2.30 0.00 0.00 0.00 175.10 177.24 1wu8 n ILE 176 N 6.67 0.24 -3.59 2.22 -5.35 -0.63 -0.42 119.36 118.50 1wu8 n ILE 176 Ca 0.09 -0.22 -0.11 0.00 -0.27 0.00 0.00 62.75 62.24 1wu8 n ILE 176 Cb 0.49 0.03 -0.06 0.00 -1.74 0.00 0.00 39.64 38.36 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 -3.14 -0.47 -0.07 4.28 5.04 -1.21 -4.52 117.35 117.26 1wu8 s TYR 177 Ca 0.06 0.96 -0.00 0.00 -2.44 0.00 0.00 57.07 55.65 1wu8 s TYR 177 Cb 0.14 0.40 0.02 0.00 0.35 0.00 0.00 41.96 42.88 1wu8 s TYR 177 CO 0.74 -0.34 -0.04 0.42 -1.34 0.00 0.00 175.55 174.99 1wu8 s ILE 178 N -0.55 0.64 0.25 3.14 1.01 -1.26 -0.31 121.20 124.12 1wu8 s ILE 178 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 1wu8 s ILE 178 Cb -0.02 -0.70 0.05 0.00 0.01 0.00 0.00 42.46 41.80 1wu8 s ILE 178 CO -0.00 0.28 0.35 -0.90 0.00 0.00 0.00 174.94 174.67 1wu8 n ASP 179 N 4.62 0.35 0.11 3.58 5.68 -0.96 -4.93 116.55 125.00 1wu8 n ASP 179 Ca -0.16 -1.33 0.10 0.00 -0.50 0.00 0.00 54.79 52.91 1wu8 n ASP 179 Cb 0.50 -0.24 0.45 0.00 -1.14 0.00 0.00 41.12 40.70 1wu8 n ASP 179 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wu8 n ASP 180 N -3.04 0.50 0.00 -1.12 8.00 -1.26 -1.83 116.55 117.81 1wu8 n ASP 180 Ca 0.05 0.64 0.11 0.00 0.71 0.00 0.00 54.79 56.31 1wu8 n ASP 180 Cb 0.19 -0.74 0.04 0.00 -0.02 0.00 0.00 41.12 40.59 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 -2.07 0.05 -0.43 1.24 3.72 -1.26 -4.95 117.46 113.75 1wu8 n PHE 181 Ca 0.02 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1wu8 n PHE 181 Cb 0.18 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 1.47 0.76 3.73 1.37 0.00 -0.76 -4.02 105.19 107.75 1wu8 n GLY 182 Ca 0.04 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.18 7.24 -0.24 1.61 0.01 -1.26 -0.58 114.94 119.53 1wu8 s ASN 183 Ca 0.00 2.08 -0.09 0.00 -0.71 0.00 0.00 52.86 54.13 1wu8 s ASN 183 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1wu8 s ASN 183 CO 0.00 -0.26 0.13 -0.69 -1.51 0.00 0.00 177.10 174.77 1wu8 s VAL 184 N -0.05 5.07 -0.24 1.60 1.01 -0.37 -2.28 120.40 125.15 1wu8 s VAL 184 Ca 0.51 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 1wu8 s VAL 184 Cb -0.29 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1wu8 s VAL 184 CO 0.34 0.35 0.14 -0.63 0.00 0.00 0.00 175.10 175.30 1wu8 s ILE 185 N 1.15 5.13 -0.05 2.22 1.09 0.58 -0.80 121.20 130.51 1wu8 s ILE 185 Ca 0.06 0.10 -0.02 0.00 -1.10 0.00 0.00 60.65 59.69 1wu8 s ILE 185 Cb -0.14 -3.39 -0.04 0.00 -1.06 0.00 0.00 42.46 37.84 1wu8 s ILE 185 CO 0.05 0.35 0.05 -0.76 -0.10 0.00 0.00 174.94 174.53 1wu8 s LEU 186 N 1.10 3.80 -0.02 2.97 1.43 -0.02 -1.61 118.68 126.34 1wu8 s LEU 186 Ca 0.07 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1wu8 s LEU 186 Cb -0.14 -2.03 -0.14 0.00 0.03 0.00 0.00 46.19 43.91 1wu8 s LEU 186 CO 0.05 0.34 2.09 -0.46 0.23 0.00 0.00 176.35 178.59 1wu8 n ASN 187 N 1.70 2.70 -4.15 2.29 6.94 -0.45 -3.33 115.26 120.96 1wu8 n ASN 187 Ca -0.16 -2.00 -0.31 0.00 -0.02 0.00 0.00 54.58 52.08 1wu8 n ASN 187 Cb 0.53 -0.73 -0.17 0.00 -2.36 0.00 0.00 39.78 37.06 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 0.00 2.01 0.05 -4.53 2.96 -1.26 -4.29 118.68 113.63 1wu8 s LEU 188 Ca 0.34 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1wu8 s LEU 188 Cb 0.16 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 1wu8 s LEU 188 CO -0.00 0.08 -0.01 -1.83 -1.32 0.00 0.00 176.35 173.27 1wu8 s GLU 189 N 0.77 0.61 -1.16 1.98 -1.05 -1.26 -1.70 118.70 116.88 1wu8 s GLU 189 Ca -0.09 -1.15 -0.11 0.00 -0.15 0.00 0.00 54.97 53.47 1wu8 s GLU 189 Cb -0.16 0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 33.72 1wu8 s GLU 189 CO 0.00 -0.12 0.81 0.09 0.95 0.00 0.00 175.26 176.99 1wu8 n ASN 190 N 0.20 -4.54 -4.50 0.83 3.02 -1.26 -5.01 115.26 104.00 1wu8 n ASN 190 Ca -0.15 -0.87 -0.24 0.00 -0.03 0.00 0.00 54.58 53.29 1wu8 n ASN 190 Cb 0.61 -4.13 -0.10 0.00 -0.61 0.00 0.00 39.78 35.55 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 -3.50 2.38 0.07 3.10 1.13 -1.26 -5.09 117.35 114.18 1wu8 s TYR 191 Ca 0.34 -0.31 -0.31 0.00 -1.41 0.00 0.00 57.07 55.38 1wu8 s TYR 191 Cb -0.09 -1.06 -0.07 0.00 -1.10 0.00 0.00 41.96 39.64 1wu8 s TYR 191 CO 0.81 0.66 1.40 -1.21 -2.51 0.00 0.00 175.55 174.71 1wu8 s GLU 192 N -3.40 4.30 0.14 -3.49 2.02 -1.26 -4.91 118.70 112.11 1wu8 s GLU 192 Ca 0.29 2.04 -0.31 0.00 0.02 0.00 0.00 54.97 57.01 1wu8 s GLU 192 Cb -0.06 -3.39 -0.09 0.00 0.10 0.00 0.00 34.13 30.69 1wu8 s GLU 192 CO 0.15 -0.50 1.49 0.15 0.02 0.00 0.00 175.26 176.57 1wu8 s LYS 193 N 1.65 4.26 0.73 1.61 1.02 -1.26 -4.97 119.74 122.78 1wu8 s LYS 193 Ca 0.65 2.23 -0.06 0.00 0.02 0.00 0.00 55.97 58.81 1wu8 s LYS 193 Cb -0.35 -3.20 0.09 0.00 -0.52 0.00 0.00 37.83 33.85 1wu8 s LYS 193 CO 0.29 -0.53 1.03 -1.25 -0.92 0.00 0.00 175.35 173.97 1wu8 s PRO 194 N 1.15 1.90 -0.22 -1.68 0.04 -1.26 -5.03 135.00 129.90 1wu8 s PRO 194 Ca 0.68 -0.50 0.01 0.00 0.04 0.00 0.00 61.00 61.23 1wu8 s PRO 194 Cb -0.40 -2.19 -0.20 0.00 0.04 0.00 0.00 34.50 31.75 1wu8 s PRO 194 CO 0.31 -1.40 -0.04 0.54 0.04 0.00 0.00 177.00 176.44 1wu8 n ARG 195 N -2.97 0.68 -4.60 4.56 1.74 0.43 -4.75 116.66 111.75 1wu8 n ARG 195 Ca 0.10 0.17 -0.25 0.00 -0.77 0.00 0.00 57.85 57.10 1wu8 n ARG 195 Cb 0.60 -1.57 -0.14 0.00 -1.02 0.00 0.00 32.46 30.33 1wu8 n ARG 195 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1wu8 s THR 196 N -2.53 1.69 -0.18 0.55 2.01 -1.11 -1.11 115.64 114.96 1wu8 s THR 196 Ca -0.30 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 60.46 1wu8 s THR 196 Cb 0.08 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 71.14 1wu8 s THR 196 CO 0.66 0.17 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.88 1wu8 s VAL 197 N -0.85 2.00 -0.21 3.82 1.01 0.05 -1.03 120.40 125.19 1wu8 s VAL 197 Ca 0.07 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 1wu8 s VAL 197 Cb -0.09 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1wu8 s VAL 197 CO 0.02 0.53 0.01 -1.83 0.00 0.00 0.00 175.10 173.83 1wu8 s GLU 198 N 1.31 3.63 -0.93 2.72 -1.05 -0.08 -0.31 118.70 123.99 1wu8 s GLU 198 Ca 0.05 -0.51 -0.24 0.00 -0.15 0.00 0.00 54.97 54.12 1wu8 s GLU 198 Cb -0.13 -3.12 0.05 0.00 -0.44 0.00 0.00 34.13 30.48 1wu8 s GLU 198 CO -0.13 -0.02 1.39 -0.51 0.95 0.00 0.00 175.26 176.94 1wu8 s LEU 199 N 1.10 3.44 0.50 1.83 1.43 -0.52 -2.21 118.68 124.26 1wu8 s LEU 199 Ca 0.03 -1.16 0.23 0.00 -1.03 0.00 0.00 54.13 52.20 1wu8 s LEU 199 Cb -0.14 -2.56 1.31 0.00 0.03 0.00 0.00 46.19 44.83 1wu8 s LEU 199 CO 0.02 -1.60 1.96 -0.07 0.23 0.00 0.00 176.35 176.89 1wu8 h LEU 200 N 12.80 0.11 -1.00 1.79 4.07 -1.43 -0.27 115.31 131.39 1wu8 h LEU 200 Ca 0.05 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1wu8 h LEU 200 Cb 1.02 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.74 1wu8 h LEU 200 CO 1.37 0.06 -0.12 0.44 -1.08 0.00 0.00 178.44 179.11 1wu8 h ASP 201 N 0.12 0.00 -0.20 -0.43 3.32 -1.90 -2.99 116.42 114.34 1wu8 h ASP 201 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1wu8 h ASP 201 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1wu8 h ASP 201 CO -0.04 0.12 0.00 0.49 -1.72 0.00 0.00 179.24 178.09 1wu8 n PHE 202 N -3.22 0.26 -3.91 4.55 3.01 -0.18 -4.99 117.46 112.99 1wu8 n PHE 202 Ca 0.01 -0.29 -0.33 0.00 1.01 0.00 0.00 57.45 57.85 1wu8 n PHE 202 Cb 0.42 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 39.88 1wu8 n PHE 202 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1wu8 n ASN 203 N 0.53 -3.01 -4.25 4.37 5.15 -0.79 -4.96 115.26 112.30 1wu8 n ASN 203 Ca 0.09 -1.10 -0.31 0.00 -0.60 0.00 0.00 54.58 52.66 1wu8 n ASN 203 Cb 0.35 -2.74 -0.16 0.00 -0.53 0.00 0.00 39.78 36.70 1wu8 n ASN 203 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wu8 s LEU 204 N -6.93 2.05 -0.23 1.20 1.43 -1.14 -5.02 118.68 110.05 1wu8 s LEU 204 Ca 0.30 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1wu8 s LEU 204 Cb -0.13 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1wu8 s LEU 204 CO 0.91 0.23 0.09 -0.13 0.23 0.00 0.00 176.35 177.67 1wu8 s ARG 205 N -0.11 3.83 -0.03 1.70 0.52 -1.26 -1.45 118.95 122.16 1wu8 s ARG 205 Ca -0.05 -0.40 0.07 0.00 -0.52 0.00 0.00 55.73 54.84 1wu8 s ARG 205 Cb -0.14 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 1wu8 s ARG 205 CO 0.04 -0.00 -0.25 -0.51 0.02 0.00 0.00 175.30 174.60 1wu8 s LEU 206 N 1.14 2.13 0.46 2.53 1.43 0.58 -4.95 118.68 122.00 1wu8 s LEU 206 Ca 0.05 -0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 1wu8 s LEU 206 Cb -0.14 -1.37 -0.08 0.00 0.03 0.00 0.00 46.19 44.63 1wu8 s LEU 206 CO 0.04 0.31 1.11 -2.16 0.23 0.00 0.00 176.35 175.87 1wu8 s PRO 207 N -0.54 3.83 -0.45 1.29 0.04 -1.26 -0.77 135.00 137.13 1wu8 s PRO 207 Ca 0.08 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 1wu8 s PRO 207 Cb -0.11 -2.34 0.08 0.00 0.04 0.00 0.00 34.50 32.17 1wu8 s PRO 207 CO -0.00 -0.45 0.33 -0.47 0.04 0.00 0.00 177.00 176.45 1wu8 s TYR 208 N -1.68 3.30 0.32 0.56 5.04 -0.27 -1.57 117.35 123.04 1wu8 s TYR 208 Ca 0.64 -1.29 0.07 0.00 -2.44 0.00 0.00 57.07 54.04 1wu8 s TYR 208 Cb -0.24 -3.12 -0.06 0.00 0.35 0.00 0.00 41.96 38.89 1wu8 s TYR 208 CO 0.29 -0.84 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.11 1wu8 s LEU 209 N 1.52 2.53 0.34 6.97 1.43 -0.58 -4.87 118.68 126.01 1wu8 s LEU 209 Ca 0.04 -1.25 0.17 0.00 -1.03 0.00 0.00 54.13 52.06 1wu8 s LEU 209 Cb -0.24 -0.70 0.48 0.00 0.03 0.00 0.00 46.19 45.77 1wu8 s LEU 209 CO 0.04 -0.38 1.64 -0.33 0.23 0.00 0.00 176.35 177.55 1wu8 h GLU 210 N 2.13 0.00 -3.67 1.70 4.39 -1.97 -3.37 114.58 113.79 1wu8 h GLU 210 Ca -0.41 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.23 1wu8 h GLU 210 Cb 1.24 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.79 1wu8 h GLU 210 CO 0.70 0.44 -0.15 -0.08 -1.16 0.00 0.00 179.01 178.76 1wu8 s THR 211 N -3.40 0.02 0.11 1.13 -1.32 -1.26 -4.74 115.64 106.18 1wu8 s THR 211 Ca 0.01 -1.32 -0.23 0.00 -1.21 0.00 0.00 61.69 58.93 1wu8 s THR 211 Cb 0.10 -2.05 -0.07 0.00 -1.51 0.00 0.00 72.50 68.97 1wu8 s THR 211 CO 0.71 -0.07 1.69 1.88 -2.21 0.00 0.00 174.62 176.61 1wu8 h TYR 212 N 2.31 -0.30 0.00 9.09 0.05 -1.97 -2.78 116.97 123.37 1wu8 h TYR 212 Ca -0.28 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.51 1wu8 h TYR 212 Cb 1.25 0.14 0.00 0.00 1.01 0.00 0.00 36.73 39.13 1wu8 h TYR 212 CO 0.39 -0.18 0.01 0.41 -1.05 0.00 0.00 178.16 177.74 1wu8 n GLY 213 N -1.25 -0.33 0.02 3.88 0.00 -1.26 -2.80 105.19 103.45 1wu8 n GLY 213 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.32 0.05 -4.21 0.99 4.77 -1.05 -4.78 117.00 111.46 1wu8 n LEU 214 Ca 0.00 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 1wu8 n LEU 214 Cb 0.01 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 1wu8 n LEU 214 CO 0.00 0.01 -0.32 0.68 -1.33 0.00 0.00 177.39 176.43 1wu8 s VAL 215 N -1.99 0.46 0.80 4.08 -7.23 -1.12 -5.08 120.40 110.32 1wu8 s VAL 215 Ca 0.23 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 1wu8 s VAL 215 Cb 0.11 -2.08 0.07 0.00 0.56 0.00 0.00 36.38 35.04 1wu8 s VAL 215 CO 0.18 -0.48 1.09 -1.61 -0.31 0.00 0.00 175.10 173.97 1wu8 s GLU 216 N -3.96 2.02 0.41 4.82 0.41 -1.26 -4.92 118.70 116.21 1wu8 s GLU 216 Ca 0.24 1.15 -0.27 0.00 -0.41 0.00 0.00 54.97 55.67 1wu8 s GLU 216 Cb 0.07 -1.87 -0.10 0.00 -1.78 0.00 0.00 34.13 30.45 1wu8 s GLU 216 CO 0.03 -1.81 1.47 1.17 -0.49 0.00 0.00 175.26 175.63 1wu8 n LYS 217 N -3.63 2.50 0.00 1.61 4.81 -1.26 -1.85 118.16 120.34 1wu8 n LYS 217 Ca 0.09 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1wu8 n LYS 217 Cb 0.53 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.92 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 0.50 2.61 0.00 3.14 0.00 -0.60 -4.99 105.19 105.85 1wu8 n GLY 218 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 2.40 0.00 1.61 1.02 -0.77 -4.79 120.64 118.11 1wu8 n GLU 219 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1wu8 n GLU 219 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1wu8 n GLU 219 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1wu8 n LEU 221 N 0.00 0.00 -4.23 -4.62 -0.00 0.84 -1.11 117.00 107.89 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 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 1wu8 n LEU 221 CO 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 177.39 176.86 1wu8 s ALA 222 N -2.00 1.80 0.15 1.47 0.00 -0.61 -1.07 121.76 121.49 1wu8 s ALA 222 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1wu8 s ALA 222 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1wu8 s ALA 222 CO 0.00 0.42 0.09 -0.51 0.00 0.00 0.00 175.76 175.76 1wu8 s LEU 223 N -0.42 1.57 0.36 0.00 1.02 0.09 -1.53 118.68 119.76 1wu8 s LEU 223 Ca 0.06 -1.22 0.08 0.00 0.02 0.00 0.00 54.13 53.07 1wu8 s LEU 223 Cb -0.09 0.40 0.69 0.00 0.02 0.00 0.00 46.19 47.21 1wu8 s LEU 223 CO -0.00 -0.77 1.87 -0.65 0.02 0.00 0.00 176.35 176.82 1wu8 h PRO 224 N 2.78 0.30 0.00 1.29 0.11 -1.85 -2.28 132.00 132.36 1wu8 h PRO 224 Ca -0.35 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wu8 h PRO 224 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wu8 h PRO 224 CO 0.57 0.45 0.00 0.41 -0.21 0.00 0.00 178.00 179.22 1wu8 n GLY 225 N -0.77 -2.11 0.18 -0.55 0.00 -1.26 -4.06 105.19 96.62 1wu8 n GLY 225 Ca -0.00 -1.49 0.02 0.00 0.00 0.00 0.00 46.02 44.55 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 0.77 2.18 -0.41 1.61 3.41 -1.26 -4.63 113.62 115.30 1wu8 n SER 226 Ca 0.00 -1.93 0.06 0.00 -0.26 0.00 0.00 58.87 56.74 1wu8 n SER 226 Cb 0.00 -0.06 0.10 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.18 0.00 -0.82 7.33 8.25 -1.26 -4.99 115.22 123.54 1wu8 n HIS 227 Ca 0.03 -0.72 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1wu8 n HIS 227 Cb 0.28 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.78 -2.69 -4.69 0.41 8.00 -1.26 -4.98 116.55 110.55 1wu8 n ASP 228 Ca 0.11 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.35 1wu8 n ASP 228 Cb 0.71 -2.27 -0.07 0.00 -0.02 0.00 0.00 41.12 39.47 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 -1.53 2.89 0.00 1.24 2.02 -1.26 -4.31 117.35 116.40 1wu8 s TYR 229 Ca 0.00 -0.13 -0.30 0.00 -0.37 0.00 0.00 57.07 56.27 1wu8 s TYR 229 Cb 0.00 -1.37 -0.07 0.00 -0.40 0.00 0.00 41.96 40.12 1wu8 s TYR 229 CO 0.00 0.53 1.68 -1.17 -1.57 0.00 0.00 175.55 175.02 1wu8 s LEU 230 N -3.15 4.35 -0.09 -1.29 2.96 -0.69 -4.41 118.68 116.36 1wu8 s LEU 230 Ca 0.29 2.37 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 1wu8 s LEU 230 Cb -0.09 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 1wu8 s LEU 230 CO 0.20 -0.92 -0.09 -0.70 -1.32 0.00 0.00 176.35 173.53 1wu8 s GLU 231 N 3.52 2.95 -0.15 1.98 2.12 -0.86 -0.84 118.70 127.43 1wu8 s GLU 231 Ca 0.75 -0.59 -0.02 0.00 0.36 0.00 0.00 54.97 55.47 1wu8 s GLU 231 Cb -0.37 -2.61 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 1wu8 s GLU 231 CO 0.32 0.52 -0.08 0.42 -0.54 0.00 0.00 175.26 175.90 1wu8 s ILE 232 N -0.44 3.51 0.15 -3.70 -1.09 0.02 -0.73 121.20 118.91 1wu8 s ILE 232 Ca 0.06 -0.50 -0.10 0.00 -2.23 0.00 0.00 60.65 57.88 1wu8 s ILE 232 Cb -0.12 -2.51 -0.00 0.00 -1.58 0.00 0.00 42.46 38.24 1wu8 s ILE 232 CO 0.02 0.50 0.30 0.00 -1.23 0.00 0.00 174.94 174.53 1wu8 s ALA 233 N 0.39 -0.21 -0.18 9.38 0.00 -0.24 -1.24 121.76 129.67 1wu8 s ALA 233 Ca -0.07 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.19 1wu8 s ALA 233 Cb -0.15 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1wu8 s ALA 233 CO 0.04 -0.63 -0.15 0.08 0.00 0.00 0.00 175.76 175.09 1wu8 s VAL 234 N -3.92 2.54 0.00 0.00 1.01 -1.26 -0.11 120.40 118.66 1wu8 s VAL 234 Ca 0.13 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1wu8 s VAL 234 Cb 0.03 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1wu8 s VAL 234 CO -0.03 0.51 0.00 -3.20 0.00 0.00 0.00 175.10 172.37 1wu8 n ASN 235 N 4.42 0.00 0.00 3.32 5.15 -0.26 -4.45 115.26 123.44 1wu8 n ASN 235 Ca -0.20 -0.62 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 1wu8 n ASN 235 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 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 1.60 -0.58 3.03 8.20 0.00 -1.26 -1.56 105.19 114.62 1wu8 n GLY 237 Ca 0.00 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 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 -3.77 4.76 0.33 1.61 0.15 -1.26 -4.70 113.70 110.83 1wu8 s SER 238 Ca 0.00 -2.05 0.04 0.00 0.70 0.00 0.00 55.95 54.64 1wu8 s SER 238 Cb 0.00 -1.63 0.66 0.00 -1.71 0.00 0.00 66.02 63.34 1wu8 s SER 238 CO 0.00 -0.36 1.92 0.00 1.20 0.00 0.00 173.24 175.99 1wu8 h ALA 239 N 7.66 1.64 -0.87 5.45 0.00 -1.68 -0.84 119.26 130.61 1wu8 h ALA 239 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wu8 h ALA 239 Cb 1.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1wu8 h ALA 239 CO 0.52 0.21 0.55 0.00 0.00 0.00 0.00 179.25 180.54 1wu8 h ALA 240 N 1.56 1.11 0.01 0.00 0.00 -1.18 0.15 119.26 120.90 1wu8 h ALA 240 Ca 0.38 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.97 1wu8 h ALA 240 Cb 0.32 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wu8 h ALA 240 CO -0.15 0.54 -0.98 0.93 0.00 0.00 0.00 179.25 179.59 1wu8 h GLU 241 N 1.19 0.48 -0.46 0.00 5.08 -1.56 0.17 114.58 119.49 1wu8 h GLU 241 Ca 0.32 -0.53 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1wu8 h GLU 241 Cb -0.10 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1wu8 h GLU 241 CO -0.06 1.17 0.08 0.00 -1.00 0.00 0.00 179.01 179.19 1wu8 h ARG 242 N 0.27 0.76 0.00 2.33 2.47 -0.83 -2.77 114.38 116.60 1wu8 h ARG 242 Ca -0.10 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1wu8 h ARG 242 Cb 1.63 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.86 1wu8 h ARG 242 CO 0.18 0.77 -0.41 1.28 0.56 0.00 0.00 179.97 182.35 1wu8 n LEU 243 N -4.46 0.60 -3.73 3.04 4.77 0.49 -4.96 117.00 112.76 1wu8 n LEU 243 Ca 0.00 0.28 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 1wu8 n LEU 243 Cb 0.24 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1wu8 n LEU 243 CO 0.40 -0.04 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.12 1wu8 n ASN 244 N -1.95 -2.00 -4.62 -1.43 5.15 0.56 -5.00 115.26 105.97 1wu8 n ASN 244 Ca 0.05 -0.89 -0.24 0.00 -0.60 0.00 0.00 54.58 52.89 1wu8 n ASN 244 Cb 0.41 -3.78 -0.08 0.00 -0.53 0.00 0.00 39.78 35.80 1wu8 n ASN 244 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1wu8 s VAL 245 N -3.68 3.35 0.16 3.44 -7.23 -1.00 -5.03 120.40 110.41 1wu8 s VAL 245 Ca 0.11 -1.83 0.06 0.00 -1.81 0.00 0.00 61.98 58.51 1wu8 s VAL 245 Cb -0.03 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1wu8 s VAL 245 CO 0.83 -0.28 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.47 1wu8 s LYS 246 N -3.38 1.14 0.25 4.82 2.20 -1.26 -4.85 119.74 118.66 1wu8 s LYS 246 Ca 0.29 -1.47 -0.31 0.00 -0.36 0.00 0.00 55.97 54.13 1wu8 s LYS 246 Cb -0.07 -0.81 -0.14 0.00 -1.51 0.00 0.00 37.83 35.30 1wu8 s LYS 246 CO 0.18 0.12 1.31 0.28 -0.36 0.00 0.00 175.35 176.88 1wu8 n VAL 247 N -0.17 1.22 0.00 4.02 0.31 -1.26 -1.46 118.33 120.99 1wu8 n VAL 247 Ca -0.10 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1wu8 n VAL 247 Cb 0.60 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1wu8 n VAL 247 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wu8 n GLY 248 N 1.82 3.20 3.75 2.92 0.00 0.44 -4.99 105.19 112.33 1wu8 n GLY 248 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.53 4.68 -0.06 1.61 1.01 -0.53 -4.67 116.67 118.17 1wu8 s ASP 249 Ca 0.00 2.10 0.03 0.00 0.71 0.00 0.00 52.55 55.39 1wu8 s ASP 249 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1wu8 s ASP 249 CO 0.00 -1.92 -0.14 -1.61 0.21 0.00 0.00 175.17 171.71 1wu8 s GLU 250 N -4.12 2.58 -0.05 8.23 2.02 -1.26 -1.13 118.70 124.96 1wu8 s GLU 250 Ca 0.69 -0.68 0.04 0.00 0.02 0.00 0.00 54.97 55.03 1wu8 s GLU 250 Cb -0.23 -2.41 -0.00 0.00 0.10 0.00 0.00 34.13 31.59 1wu8 s GLU 250 CO 0.44 0.60 -0.18 -0.51 0.02 0.00 0.00 175.26 175.64 1wu8 s LEU 251 N -0.66 1.91 -0.19 1.80 1.43 0.32 -4.97 118.68 118.32 1wu8 s LEU 251 Ca 0.10 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.56 1wu8 s LEU 251 Cb -0.11 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1wu8 s LEU 251 CO 0.01 0.15 0.91 -0.13 0.23 0.00 0.00 176.35 177.51 1wu8 s ARG 252 N 0.12 4.28 -0.01 1.70 0.52 -1.26 -1.73 118.95 122.58 1wu8 s ARG 252 Ca -0.06 1.13 0.04 0.00 -0.52 0.00 0.00 55.73 56.31 1wu8 s ARG 252 Cb -0.13 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.73 1wu8 s ARG 252 CO 0.03 -0.45 -0.12 0.08 0.02 0.00 0.00 175.30 174.87 1wu8 s VAL 253 N 2.56 0.92 -0.06 3.52 1.01 0.10 -1.20 120.40 127.26 1wu8 s VAL 253 Ca 0.40 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1wu8 s VAL 253 Cb -0.16 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1wu8 s VAL 253 CO 0.10 0.23 -0.11 -0.60 0.00 0.00 0.00 175.10 174.72 1wu8 s ARG 254 N -0.34 1.60 -0.22 2.72 3.52 -0.94 0.89 118.95 126.18 1wu8 s ARG 254 Ca 0.04 -0.38 -0.13 0.00 -0.13 0.00 0.00 55.73 55.13 1wu8 s ARG 254 Cb -0.05 -1.34 -0.04 0.00 -1.56 0.00 0.00 34.95 31.96 1wu8 s ARG 254 CO -0.00 0.02 0.28 -0.51 -0.81 0.00 0.00 175.30 174.28 1wu8 s LEU 255 N 0.66 4.14 0.00 -0.88 1.43 -1.26 -0.90 118.68 121.87 1wu8 s LEU 255 Ca -0.14 0.33 0.21 0.00 -1.03 0.00 0.00 54.13 53.50 1wu8 s LEU 255 Cb -0.15 -2.31 0.17 0.00 0.03 0.00 0.00 46.19 43.92 1wu8 s LEU 255 CO 0.03 0.00 1.17 0.18 0.23 0.00 0.00 176.35 177.97