#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uw9 s MET 2 N 0.00 3.36 -0.21 0.03 1.00 -1.26 -5.02 119.30 117.20 1uw9 s MET 2 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 55.69 55.29 1uw9 s MET 2 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 34.83 31.74 1uw9 s MET 2 CO 0.00 0.68 0.05 0.08 0.00 0.00 0.00 175.02 175.84 1uw9 s VAL 3 N -1.25 4.44 -0.10 -6.03 1.01 -1.26 -4.84 120.40 112.36 1uw9 s VAL 3 Ca 0.25 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 1uw9 s VAL 3 Cb -0.12 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1uw9 s VAL 3 CO 0.16 0.40 1.39 0.86 0.00 0.00 0.00 175.10 177.90 1uw9 s TRP 4 N 0.99 2.63 0.11 5.22 -0.11 -1.26 -0.56 118.94 125.95 1uw9 s TRP 4 Ca 0.03 0.77 -0.30 0.00 1.22 0.00 0.00 56.10 57.82 1uw9 s TRP 4 Cb -0.14 -3.64 -0.06 0.00 -1.50 0.00 0.00 33.47 28.13 1uw9 s TRP 4 CO 0.03 -2.38 1.14 -0.08 -4.62 0.00 0.00 176.95 171.03 1uw9 s THR 5 N 3.39 4.03 -1.40 5.86 -1.32 -0.12 -4.92 115.64 121.16 1uw9 s THR 5 Ca 0.61 1.57 0.28 0.00 -1.21 0.00 0.00 61.69 62.94 1uw9 s THR 5 Cb -0.27 -4.01 0.28 0.00 -1.51 0.00 0.00 72.50 67.00 1uw9 s THR 5 CO 0.21 0.19 1.72 -0.81 -2.21 0.00 0.00 174.62 173.72 1uw9 n PRO 6 N 3.24 0.43 -4.49 7.08 -0.04 -1.26 -4.72 135.00 135.25 1uw9 n PRO 6 Ca 0.06 -0.18 -0.29 0.00 -0.04 0.00 0.00 63.50 63.05 1uw9 n PRO 6 Cb 0.47 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 1uw9 n PRO 6 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uw9 s VAL 7 N -2.69 2.27 -0.48 0.52 1.01 -1.26 -4.45 120.40 115.31 1uw9 s VAL 7 Ca 0.21 -1.67 -0.21 0.00 0.00 0.00 0.00 61.98 60.31 1uw9 s VAL 7 Cb 0.19 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.63 1uw9 s VAL 7 CO 0.54 0.15 0.72 0.20 0.00 0.00 0.00 175.10 176.71 1uw9 s ASN 8 N -1.90 6.31 -0.19 3.32 0.02 -1.26 -4.96 114.94 116.28 1uw9 s ASN 8 Ca 0.14 -0.48 0.19 0.00 -1.02 0.00 0.00 52.86 51.68 1uw9 s ASN 8 Cb -0.10 -2.34 0.47 0.00 0.02 0.00 0.00 41.25 39.29 1uw9 s ASN 8 CO 0.05 -0.92 1.16 -3.20 0.02 0.00 0.00 177.10 174.21 1uw9 n ASN 9 N 6.55 2.10 -4.76 -1.22 4.05 -1.12 -2.32 115.26 118.53 1uw9 n ASN 9 Ca -0.02 -2.62 -0.40 0.00 0.45 0.00 0.00 54.58 51.99 1uw9 n ASN 9 Cb 0.47 -0.41 0.02 0.00 1.23 0.00 0.00 39.78 41.09 1uw9 n ASN 9 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1uw9 s LYS 10 N -2.64 3.67 0.50 1.20 -0.14 -0.24 -4.84 119.74 117.24 1uw9 s LYS 10 Ca 0.35 2.35 0.03 0.00 -1.36 0.00 0.00 55.97 57.35 1uw9 s LYS 10 Cb 0.36 -2.62 0.03 0.00 -1.68 0.00 0.00 37.83 33.92 1uw9 s LYS 10 CO -0.06 -0.81 0.28 -1.33 -0.76 0.00 0.00 175.35 172.67 1uw9 n MET 11 N -0.24 0.77 -2.72 1.68 2.81 -1.26 -4.67 117.12 113.49 1uw9 n MET 11 Ca 0.05 -3.25 -0.05 0.00 -1.81 0.00 0.00 57.70 52.64 1uw9 n MET 11 Cb 0.42 0.49 0.06 0.00 -0.71 0.00 0.00 33.22 33.49 1uw9 n MET 11 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1uw9 n PHE 12 N -1.56 0.14 -4.23 2.03 3.01 -1.26 -5.12 117.46 110.48 1uw9 n PHE 12 Ca -0.07 -2.33 0.00 0.00 1.01 0.00 0.00 57.45 56.07 1uw9 n PHE 12 Cb 0.58 0.25 0.00 0.00 -0.01 0.00 0.00 39.48 40.30 1uw9 n PHE 12 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1uw9 n GLU 13 N -0.48 0.00 -1.68 -1.08 -0.58 -1.26 -4.59 120.64 110.97 1uw9 n GLU 13 Ca 0.03 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.31 1uw9 n GLU 13 Cb 0.83 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.66 1uw9 n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1uw9 n THR 14 N 0.00 0.34 -0.48 2.62 -1.04 -1.26 -1.68 114.28 112.78 1uw9 n THR 14 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1uw9 n THR 14 Cb 0.00 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 66.69 1uw9 n THR 14 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1uw9 n PHE 15 N 5.33 0.00 0.38 -1.42 0.99 -1.26 -4.55 117.46 116.93 1uw9 n PHE 15 Ca 0.20 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.75 1uw9 n PHE 15 Cb 0.31 0.00 0.46 0.00 -1.00 0.00 0.00 39.48 39.25 1uw9 n PHE 15 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1uw9 n SER 16 N 0.00 0.52 -0.53 4.37 3.41 -0.67 -1.97 113.62 118.75 1uw9 n SER 16 Ca 0.00 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1uw9 n SER 16 Cb 0.00 -0.75 0.38 0.00 -0.26 0.00 0.00 64.21 63.58 1uw9 n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1uw9 n TYR 17 N -2.09 0.00 -3.14 7.33 4.02 -1.26 -4.87 117.16 117.15 1uw9 n TYR 17 Ca 0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.69 1uw9 n TYR 17 Cb 0.19 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 1uw9 n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1uw9 s LEU 18 N -2.13 3.76 0.69 7.72 1.43 -0.83 -5.08 118.68 124.24 1uw9 s LEU 18 Ca 0.32 0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 53.49 1uw9 s LEU 18 Cb 0.20 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 43.31 1uw9 s LEU 18 CO 0.38 -0.59 1.16 -2.65 0.23 0.00 0.00 176.35 174.89 1uw9 n PRO 19 N -1.96 0.79 -1.61 1.29 -0.02 -1.26 -4.87 135.00 127.37 1uw9 n PRO 19 Ca 0.00 0.33 -0.46 0.00 -2.02 0.00 0.00 63.50 61.35 1uw9 n PRO 19 Cb 0.57 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 1uw9 n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1uw9 n PRO 20 N -2.01 1.48 -2.14 0.52 -0.02 -1.26 -4.87 135.00 126.70 1uw9 n PRO 20 Ca 0.15 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1uw9 n PRO 20 Cb 0.49 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 1uw9 n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uw9 s LEU 21 N 0.34 4.39 0.85 2.45 1.43 -1.26 -5.02 118.68 121.86 1uw9 s LEU 21 Ca 0.65 2.46 -0.12 0.00 -1.03 0.00 0.00 54.13 56.09 1uw9 s LEU 21 Cb -0.73 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 41.99 1uw9 s LEU 21 CO 0.56 -0.62 1.10 0.42 0.23 0.00 0.00 176.35 178.04 1uw9 s THR 22 N 0.42 2.77 0.27 5.49 -4.23 -1.26 -4.82 115.64 114.28 1uw9 s THR 22 Ca 0.60 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 61.34 1uw9 s THR 22 Cb -0.38 -2.91 0.27 0.00 1.34 0.00 0.00 72.50 70.82 1uw9 s THR 22 CO 0.37 -0.33 1.90 0.44 -0.54 0.00 0.00 174.62 176.46 1uw9 h ASP 23 N -1.31 1.05 -0.83 3.99 3.32 -1.99 -0.15 116.42 120.50 1uw9 h ASP 23 Ca -0.48 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 1uw9 h ASP 23 Cb 1.28 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 1uw9 h ASP 23 CO 0.58 0.70 0.39 -0.08 -1.72 0.00 0.00 179.24 179.11 1uw9 h GLU 24 N 1.20 1.21 -0.47 3.56 4.81 -1.99 0.03 114.58 122.94 1uw9 h GLU 24 Ca 0.41 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1uw9 h GLU 24 Cb 0.08 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1uw9 h GLU 24 CO -0.14 0.94 -0.14 1.96 -0.73 0.00 0.00 179.01 180.90 1uw9 h GLN 25 N 1.19 0.92 -0.11 1.92 4.20 -1.68 -1.41 115.11 120.14 1uw9 h GLN 25 Ca 0.29 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1uw9 h GLN 25 Cb 0.14 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1uw9 h GLN 25 CO -0.03 1.02 0.07 0.82 -0.67 0.00 0.00 178.83 180.03 1uw9 h ILE 26 N 0.76 1.07 -0.98 2.54 2.04 -0.83 -2.34 117.51 119.76 1uw9 h ILE 26 Ca 0.11 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1uw9 h ILE 26 Cb 0.70 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1uw9 h ILE 26 CO 0.05 0.06 0.64 0.00 0.00 0.00 0.00 178.15 178.90 1uw9 h ALA 27 N 0.99 1.41 -0.84 1.87 0.00 -0.91 -0.73 119.26 121.05 1uw9 h ALA 27 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1uw9 h ALA 27 Cb 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1uw9 h ALA 27 CO -0.01 0.46 0.46 0.00 0.00 0.00 0.00 179.25 180.17 1uw9 h ALA 28 N 1.45 1.22 -0.51 0.00 0.00 -1.06 -0.47 119.26 119.89 1uw9 h ALA 28 Ca 0.41 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1uw9 h ALA 28 Cb 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1uw9 h ALA 28 CO -0.15 0.63 -0.09 1.96 0.00 0.00 0.00 179.25 181.59 1uw9 h GLN 29 N 1.18 0.93 -0.57 0.00 1.08 -0.66 -2.03 115.11 115.04 1uw9 h GLN 29 Ca 0.30 -0.32 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1uw9 h GLN 29 Cb 0.03 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1uw9 h GLN 29 CO -0.05 0.98 0.20 0.28 -0.95 0.00 0.00 178.83 179.29 1uw9 h VAL 30 N 0.84 1.23 -0.89 -0.54 2.07 -0.82 -2.11 116.25 116.04 1uw9 h VAL 30 Ca 0.14 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 66.97 1uw9 h VAL 30 Cb 0.62 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 1uw9 h VAL 30 CO 0.04 0.29 0.55 0.44 0.02 0.00 0.00 177.57 178.91 1uw9 h ASP 31 N 0.80 0.83 -0.76 0.57 3.32 -0.88 -1.85 116.42 118.46 1uw9 h ASP 31 Ca 0.19 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1uw9 h ASP 31 Cb 0.26 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1uw9 h ASP 31 CO -0.01 0.50 0.31 0.22 -1.72 0.00 0.00 179.24 178.54 1uw9 h TYR 32 N 0.95 1.15 0.06 4.55 3.20 -0.94 0.21 116.97 126.16 1uw9 h TYR 32 Ca 0.41 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 62.21 1uw9 h TYR 32 Cb 0.28 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 1uw9 h TYR 32 CO -0.03 0.88 -0.17 0.82 -1.64 0.00 0.00 178.16 178.02 1uw9 h ILE 33 N 1.10 0.61 -0.41 1.81 2.04 -0.74 -2.55 117.51 119.35 1uw9 h ILE 33 Ca 0.25 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.05 1uw9 h ILE 33 Cb 0.21 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1uw9 h ILE 33 CO -0.02 0.00 -0.00 0.58 0.00 0.00 0.00 178.15 178.71 1uw9 h VAL 34 N -0.31 1.26 -0.63 1.67 2.07 -1.08 -2.06 116.25 117.17 1uw9 h VAL 34 Ca 0.03 -1.02 0.12 0.00 0.82 0.00 0.00 66.70 66.64 1uw9 h VAL 34 Cb 0.34 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1uw9 h VAL 34 CO -0.12 0.35 0.43 0.00 0.02 0.00 0.00 177.57 178.25 1uw9 h ALA 35 N 0.89 2.08 -0.02 1.67 0.00 -0.52 -1.26 119.26 122.09 1uw9 h ALA 35 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1uw9 h ALA 35 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1uw9 h ALA 35 CO 0.02 -0.23 -0.06 0.09 0.00 0.00 0.00 179.25 179.07 1uw9 n ASN 36 N -4.47 2.04 -1.27 0.00 3.02 -0.97 -4.96 115.26 108.65 1uw9 n ASN 36 Ca 0.11 -1.62 -0.13 0.00 -0.03 0.00 0.00 54.58 52.91 1uw9 n ASN 36 Cb 0.43 0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 1uw9 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uw9 n GLY 37 N 1.27 0.37 3.89 7.41 0.00 -0.48 -5.02 105.19 112.63 1uw9 n GLY 37 Ca 0.16 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1uw9 n GLY 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uw9 s TRP 38 N -2.57 3.44 -0.42 1.61 0.51 -0.82 -4.98 118.94 115.70 1uw9 s TRP 38 Ca 0.00 0.99 -0.17 0.00 -2.12 0.00 0.00 56.10 54.80 1uw9 s TRP 38 Cb 0.00 -2.77 0.02 0.00 -0.81 0.00 0.00 33.47 29.91 1uw9 s TRP 38 CO 0.00 -0.82 0.44 0.42 -0.51 0.00 0.00 176.95 176.48 1uw9 s ILE 39 N -3.13 5.09 0.47 2.03 1.01 -0.11 -4.71 121.20 121.85 1uw9 s ILE 39 Ca 0.55 -0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.61 1uw9 s ILE 39 Cb -0.11 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 1uw9 s ILE 39 CO 0.50 -0.43 1.12 -2.84 0.00 0.00 0.00 174.94 173.28 1uw9 s PRO 40 N 2.14 3.77 -0.07 2.79 0.02 -1.26 -0.44 135.00 141.94 1uw9 s PRO 40 Ca 0.12 1.63 -0.23 0.00 0.02 0.00 0.00 61.00 62.54 1uw9 s PRO 40 Cb -0.17 -2.31 0.05 0.00 0.02 0.00 0.00 34.50 32.09 1uw9 s PRO 40 CO 0.14 -0.51 0.52 0.00 -0.33 0.00 0.00 177.00 176.82 1uw9 s LEU 42 N -0.91 3.01 0.05 0.00 1.43 -1.26 -0.87 118.68 120.12 1uw9 s LEU 42 Ca -0.09 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1uw9 s LEU 42 Cb -0.03 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1uw9 s LEU 42 CO 0.06 0.31 -0.10 -1.61 0.23 0.00 0.00 176.35 175.24 1uw9 s GLU 43 N -1.18 0.63 0.09 1.70 2.02 -0.61 -0.63 118.70 120.72 1uw9 s GLU 43 Ca 0.15 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.25 1uw9 s GLU 43 Cb -0.11 -0.48 -0.01 0.00 0.10 0.00 0.00 34.13 33.64 1uw9 s GLU 43 CO 0.05 0.10 0.18 -0.59 0.02 0.00 0.00 175.26 175.02 1uw9 s PHE 44 N -1.30 0.20 -0.18 1.61 -0.12 -0.03 -0.64 117.98 117.53 1uw9 s PHE 44 Ca -0.07 -0.64 -0.24 0.00 -0.05 0.00 0.00 56.93 55.93 1uw9 s PHE 44 Cb -0.10 -0.09 0.06 0.00 -0.63 0.00 0.00 43.02 42.27 1uw9 s PHE 44 CO 0.01 -0.55 0.63 0.00 -0.05 0.00 0.00 175.22 175.27 1uw9 s ALA 45 N -3.88 -1.59 0.75 1.99 0.00 -0.42 -0.81 121.76 117.80 1uw9 s ALA 45 Ca 0.06 1.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.49 1uw9 s ALA 45 Cb 0.05 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.51 1uw9 s ALA 45 CO -0.10 -0.32 1.11 -1.83 0.00 0.00 0.00 175.76 174.62 1uw9 s GLU 46 N -0.17 2.33 0.30 0.00 -1.05 -1.26 -0.49 118.70 118.35 1uw9 s GLU 46 Ca -0.04 1.29 0.05 0.00 -0.15 0.00 0.00 54.97 56.13 1uw9 s GLU 46 Cb -0.03 -1.90 0.74 0.00 -0.44 0.00 0.00 34.13 32.50 1uw9 s GLU 46 CO 0.04 -1.60 1.73 0.00 0.95 0.00 0.00 175.26 176.37 1uw9 h ALA 47 N -0.78 1.55 0.00 -0.84 0.00 -1.96 0.61 119.26 117.85 1uw9 h ALA 47 Ca -0.45 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1uw9 h ALA 47 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1uw9 h ALA 47 CO 0.51 -0.23 0.00 -0.44 0.00 0.00 0.00 179.25 179.09 1uw9 h ASP 48 N 0.55 0.00 -0.28 0.00 3.32 -1.99 -2.72 116.42 115.30 1uw9 h ASP 48 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1uw9 h ASP 48 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1uw9 h ASP 48 CO -0.46 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.35 1uw9 n LYS 49 N -2.95 2.93 0.06 3.56 4.76 0.19 -4.73 118.16 121.98 1uw9 n LYS 49 Ca -0.00 -2.70 -0.23 0.00 -2.87 0.00 0.00 58.31 52.51 1uw9 n LYS 49 Cb 0.22 -1.74 -0.15 0.00 -1.84 0.00 0.00 35.03 31.52 1uw9 n LYS 49 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uw9 h ALA 50 N 1.86 0.20 -3.44 7.82 0.00 -1.30 -3.45 119.26 120.94 1uw9 h ALA 50 Ca 0.00 -1.18 -0.67 0.00 0.00 0.00 0.00 54.91 53.06 1uw9 h ALA 50 Cb 1.32 0.50 -0.15 0.00 0.00 0.00 0.00 17.79 19.46 1uw9 h ALA 50 CO 0.18 1.05 -0.66 0.71 0.00 0.00 0.00 179.25 180.53 1uw9 s TYR 51 N -2.57 3.00 0.11 0.00 1.51 -1.26 -4.95 117.35 113.19 1uw9 s TYR 51 Ca -0.17 0.03 -0.35 0.00 -1.01 0.00 0.00 57.07 55.56 1uw9 s TYR 51 Cb 0.05 -1.64 -0.17 0.00 -0.11 0.00 0.00 41.96 40.10 1uw9 s TYR 51 CO 0.83 0.43 1.24 1.55 -1.11 0.00 0.00 175.55 178.49 1uw9 n VAL 52 N 1.39 0.36 -4.24 0.71 3.14 -1.26 -4.70 118.33 113.74 1uw9 n VAL 52 Ca -0.15 -0.09 -0.19 0.00 -2.96 0.00 0.00 64.34 60.96 1uw9 n VAL 52 Cb 0.53 -0.74 -0.07 0.00 -1.06 0.00 0.00 33.84 32.49 1uw9 n VAL 52 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1uw9 s SER 53 N 0.24 1.58 0.00 6.55 1.04 -0.57 -4.97 113.70 117.57 1uw9 s SER 53 Ca 0.81 -1.72 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1uw9 s SER 53 Cb -0.94 0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.77 1uw9 s SER 53 CO 0.50 -1.14 0.89 0.59 0.98 0.00 0.00 173.24 175.05 1uw9 n ASN 54 N -1.61 1.70 0.05 7.02 3.02 -1.26 -0.82 115.26 123.36 1uw9 n ASN 54 Ca 0.06 -1.79 0.04 0.00 -0.03 0.00 0.00 54.58 52.87 1uw9 n ASN 54 Cb 0.62 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.24 1uw9 n ASN 54 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1uw9 h GLU 55 N 0.00 0.43 0.00 3.52 9.09 -1.99 -1.47 114.58 124.16 1uw9 h GLU 55 Ca 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.36 1uw9 h GLU 55 Cb 0.48 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1uw9 h GLU 55 CO 0.00 0.32 -0.06 0.77 0.05 0.00 0.00 179.01 180.08 1uw9 h SER 56 N 0.44 0.00 0.25 3.06 0.02 -2.00 -2.99 113.55 112.32 1uw9 h SER 56 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1uw9 h SER 56 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1uw9 h SER 56 CO -0.02 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.73 1uw9 h ALA 57 N 1.94 1.00 -0.16 3.77 0.00 -1.66 -0.95 119.26 123.20 1uw9 h ALA 57 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1uw9 h ALA 57 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1uw9 h ALA 57 CO 0.01 0.00 0.17 0.97 0.00 0.00 0.00 179.25 180.40 1uw9 h ILE 58 N 0.00 0.51 -0.02 0.00 2.10 -1.71 -1.59 117.51 116.80 1uw9 h ILE 58 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1uw9 h ILE 58 Cb 0.12 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 1uw9 h ILE 58 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.61 1uw9 n ARG 59 N -3.86 1.53 -3.96 2.19 1.74 -0.36 -4.96 116.66 108.99 1uw9 n ARG 59 Ca 0.01 -0.78 -0.28 0.00 -0.77 0.00 0.00 57.85 56.03 1uw9 n ARG 59 Cb 0.29 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 1uw9 n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uw9 s PHE 60 N -1.99 3.44 0.00 -1.55 2.99 -0.60 -5.12 117.98 115.15 1uw9 s PHE 60 Ca 0.40 0.15 0.00 0.00 0.00 0.00 0.00 56.93 57.48 1uw9 s PHE 60 Cb 0.21 -1.68 0.00 0.00 0.00 0.00 0.00 43.02 41.55 1uw9 s PHE 60 CO 0.34 0.55 0.00 0.41 -0.00 0.00 0.00 175.22 176.51 1uw9 n GLY 61 N -0.12 -0.29 2.23 4.36 0.00 -1.26 -4.88 105.19 105.23 1uw9 n GLY 61 Ca -0.06 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 1uw9 n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uw9 n SER 62 N 0.00 6.15 -0.71 1.61 7.64 -1.26 -4.41 113.62 122.64 1uw9 n SER 62 Ca 0.00 -2.79 0.06 0.00 1.01 0.00 0.00 58.87 57.15 1uw9 n SER 62 Cb 0.00 -1.36 0.13 0.00 -1.01 0.00 0.00 64.21 61.96 1uw9 n SER 62 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1uw9 n VAL 63 N 1.97 1.36 1.15 0.44 0.24 -1.26 -4.78 118.33 117.44 1uw9 n VAL 63 Ca 0.49 -2.14 0.14 0.00 -2.04 0.00 0.00 64.34 60.79 1uw9 n VAL 63 Cb 0.69 0.15 0.64 0.00 -1.47 0.00 0.00 33.84 33.84 1uw9 n VAL 63 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1uw9 n SER 64 N -0.66 0.06 -4.71 -1.34 3.41 -1.26 -4.77 113.62 104.35 1uw9 n SER 64 Ca 0.13 0.20 -0.58 0.00 -0.26 0.00 0.00 58.87 58.36 1uw9 n SER 64 Cb 0.80 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 1uw9 n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uw9 n LEU 66 N 5.40 -1.57 -4.55 0.00 4.77 -1.26 -4.98 117.00 114.81 1uw9 n LEU 66 Ca 0.27 0.18 -0.36 0.00 -0.03 0.00 0.00 56.01 56.07 1uw9 n LEU 66 Cb 0.12 -2.64 -0.11 0.00 -2.33 0.00 0.00 43.42 38.46 1uw9 n LEU 66 CO 0.81 -0.43 -0.26 -0.47 -1.33 0.00 0.00 177.39 175.72 1uw9 s TYR 67 N -2.78 3.17 -0.03 -1.77 5.04 0.01 -5.10 117.35 115.89 1uw9 s TYR 67 Ca 0.00 -0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.46 1uw9 s TYR 67 Cb 0.00 -2.18 0.01 0.00 0.35 0.00 0.00 41.96 40.14 1uw9 s TYR 67 CO 0.00 -0.10 0.10 0.71 -1.34 0.00 0.00 175.55 174.93 1uw9 s TYR 68 N 1.04 -0.06 0.64 4.97 2.02 -1.26 -4.97 117.35 119.73 1uw9 s TYR 68 Ca 0.04 0.15 -0.12 0.00 -0.37 0.00 0.00 57.07 56.78 1uw9 s TYR 68 Cb -0.14 0.01 -0.03 0.00 -0.40 0.00 0.00 41.96 41.40 1uw9 s TYR 68 CO 0.03 -0.11 1.04 -0.51 -1.57 0.00 0.00 175.55 174.43 1uw9 s ASP 69 N -0.33 5.92 -0.23 2.29 1.01 -0.00 -4.28 116.67 121.05 1uw9 s ASP 69 Ca -0.04 1.53 0.00 0.00 0.71 0.00 0.00 52.55 54.75 1uw9 s ASP 69 Cb -0.03 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1uw9 s ASP 69 CO 0.00 -1.08 0.00 0.59 0.21 0.00 0.00 175.17 174.89 1uw9 n ASN 70 N -2.75 -3.81 -0.02 0.27 3.02 -1.26 -1.51 115.26 109.20 1uw9 n ASN 70 Ca 0.07 0.05 -0.16 0.00 -0.03 0.00 0.00 54.58 54.51 1uw9 n ASN 70 Cb 0.54 -1.50 -0.11 0.00 -0.61 0.00 0.00 39.78 38.10 1uw9 n ASN 70 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1uw9 h ARG 71 N 0.46 0.30 -6.63 3.52 3.08 -1.90 -3.41 114.38 109.80 1uw9 h ARG 71 Ca -0.04 -0.29 -0.53 0.00 0.07 0.00 0.00 59.98 59.19 1uw9 h ARG 71 Cb 0.32 0.08 0.03 0.00 0.08 0.00 0.00 29.97 30.48 1uw9 h ARG 71 CO 0.07 0.98 0.65 0.71 -1.07 0.00 0.00 179.97 181.31 1uw9 s TYR 72 N -3.32 3.28 0.31 3.04 2.02 -1.26 -5.04 117.35 116.38 1uw9 s TYR 72 Ca -0.14 1.18 0.03 0.00 -0.37 0.00 0.00 57.07 57.76 1uw9 s TYR 72 Cb 0.03 -3.59 0.03 0.00 -0.40 0.00 0.00 41.96 38.02 1uw9 s TYR 72 CO 0.78 -1.90 0.22 0.91 -1.57 0.00 0.00 175.55 173.99 1uw9 n TRP 73 N 3.03 -0.92 -3.39 2.71 7.02 -1.26 -5.06 117.44 119.58 1uw9 n TRP 73 Ca 0.07 -1.32 -0.38 0.00 -1.02 0.00 0.00 57.50 54.86 1uw9 n TRP 73 Cb 0.43 -0.25 -0.06 0.00 -2.42 0.00 0.00 31.31 29.01 1uw9 n TRP 73 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1uw9 s THR 74 N -1.56 5.19 0.09 -0.99 2.01 0.01 -4.87 115.64 115.53 1uw9 s THR 74 Ca 0.17 0.85 -0.31 0.00 0.31 0.00 0.00 61.69 62.71 1uw9 s THR 74 Cb -0.01 -3.76 -0.07 0.00 0.01 0.00 0.00 72.50 68.66 1uw9 s THR 74 CO 0.11 0.38 1.32 -0.32 -0.69 0.00 0.00 174.62 175.41 1uw9 s MET 75 N 0.35 4.36 -0.37 4.92 1.75 -1.26 -0.85 119.30 128.20 1uw9 s MET 75 Ca 0.24 1.96 -0.26 0.00 -1.25 0.00 0.00 55.69 56.37 1uw9 s MET 75 Cb -0.15 -3.30 0.02 0.00 2.84 0.00 0.00 34.83 34.24 1uw9 s MET 75 CO 0.09 -0.38 0.95 -0.46 -0.65 0.00 0.00 175.02 174.57 1uw9 s TRP 76 N 1.16 3.07 0.00 4.11 -0.11 0.20 -4.89 118.94 122.49 1uw9 s TRP 76 Ca 0.62 0.80 0.00 0.00 1.22 0.00 0.00 56.10 58.74 1uw9 s TRP 76 Cb -0.34 -3.70 0.00 0.00 -1.50 0.00 0.00 33.47 27.93 1uw9 s TRP 76 CO 0.30 -0.85 0.00 1.63 -4.62 0.00 0.00 176.95 173.40 1uw9 n LYS 77 N 6.85 0.00 -4.25 5.86 5.02 -1.26 -4.50 118.16 125.88 1uw9 n LYS 77 Ca 0.08 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.22 1uw9 n LYS 77 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 1uw9 n LYS 77 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uw9 s LEU 78 N 0.00 2.51 0.41 -0.35 1.43 -1.26 -5.10 118.68 116.33 1uw9 s LEU 78 Ca 0.00 -0.98 -0.25 0.00 -1.03 0.00 0.00 54.13 51.87 1uw9 s LEU 78 Cb 0.00 -0.40 -0.10 0.00 0.03 0.00 0.00 46.19 45.72 1uw9 s LEU 78 CO 0.00 -0.29 1.19 -2.65 0.23 0.00 0.00 176.35 174.83 1uw9 n PRO 79 N -0.08 1.75 -2.22 1.29 -0.02 -1.26 -4.82 135.00 129.64 1uw9 n PRO 79 Ca -0.11 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 1uw9 n PRO 79 Cb 0.60 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1uw9 n PRO 79 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1uw9 n MET 80 N 0.11 3.60 -1.69 -0.52 2.81 0.71 -4.97 117.12 117.18 1uw9 n MET 80 Ca 0.07 -3.39 -0.44 0.00 -1.81 0.00 0.00 57.70 52.13 1uw9 n MET 80 Cb 0.39 -2.95 -0.03 0.00 -0.71 0.00 0.00 33.22 29.93 1uw9 n MET 80 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1uw9 n PHE 81 N 3.97 2.39 -0.79 2.03 3.72 -1.26 -1.97 117.46 125.55 1uw9 n PHE 81 Ca 0.43 0.33 0.00 0.00 -0.05 0.00 0.00 57.45 58.16 1uw9 n PHE 81 Cb 0.36 -2.52 0.00 0.00 -0.94 0.00 0.00 39.48 36.37 1uw9 n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uw9 n GLY 82 N 2.54 1.34 3.69 1.37 0.00 -1.26 -4.99 105.19 107.88 1uw9 n GLY 82 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1uw9 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uw9 n ARG 84 N 5.57 0.95 -3.92 0.00 1.74 -1.26 -4.94 116.66 114.81 1uw9 n ARG 84 Ca 0.15 -1.81 -0.30 0.00 -0.77 0.00 0.00 57.85 55.12 1uw9 n ARG 84 Cb 0.41 -1.05 -0.15 0.00 -1.02 0.00 0.00 32.46 30.65 1uw9 n ARG 84 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1uw9 s ASP 85 N -1.87 3.98 0.36 0.55 2.15 -1.26 -5.00 116.67 115.57 1uw9 s ASP 85 Ca 0.16 -1.37 0.07 0.00 0.43 0.00 0.00 52.55 51.84 1uw9 s ASP 85 Cb 0.14 -1.18 0.76 0.00 -0.30 0.00 0.00 42.92 42.33 1uw9 s ASP 85 CO 0.01 -0.28 1.93 -0.65 -0.17 0.00 0.00 175.17 176.01 1uw9 h PRO 86 N 7.93 0.73 -0.52 4.34 0.11 -1.94 -1.61 132.00 141.04 1uw9 h PRO 86 Ca -0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1uw9 h PRO 86 Cb 1.06 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 1uw9 h PRO 86 CO 0.43 0.48 0.34 0.52 -0.21 0.00 0.00 178.00 179.56 1uw9 h MET 87 N 0.75 0.69 -0.61 1.05 2.86 -1.99 -1.73 114.93 115.95 1uw9 h MET 87 Ca 0.36 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 1uw9 h MET 87 Cb 0.40 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1uw9 h MET 87 CO -0.13 0.46 0.36 0.37 1.06 0.00 0.00 176.91 179.03 1uw9 h GLN 88 N 0.71 0.84 -0.19 1.72 4.15 -1.72 0.39 115.11 121.00 1uw9 h GLN 88 Ca 0.19 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 1uw9 h GLN 88 Cb -0.07 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 1uw9 h GLN 88 CO -0.04 0.61 0.10 0.28 -1.93 0.00 0.00 178.83 177.85 1uw9 h VAL 89 N 0.83 1.11 -0.95 2.39 2.07 -1.32 -1.81 116.25 118.56 1uw9 h VAL 89 Ca 0.22 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1uw9 h VAL 89 Cb -0.01 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1uw9 h VAL 89 CO -0.04 0.10 0.60 -0.07 0.02 0.00 0.00 177.57 178.19 1uw9 h LEU 90 N 0.20 1.12 -0.99 2.57 3.38 -1.07 -0.99 115.31 119.53 1uw9 h LEU 90 Ca 0.07 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1uw9 h LEU 90 Cb 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1uw9 h LEU 90 CO -0.01 0.83 0.20 0.03 0.09 0.00 0.00 178.44 179.59 1uw9 h ARG 91 N 1.30 0.94 -0.36 1.13 3.08 -0.79 -2.33 114.38 117.35 1uw9 h ARG 91 Ca 0.35 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 1uw9 h ARG 91 Cb -0.11 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 1uw9 h ARG 91 CO -0.07 0.80 -0.23 0.93 -1.07 0.00 0.00 179.97 180.33 1uw9 h GLU 92 N 0.91 0.71 -0.49 0.04 4.39 -0.52 -0.78 114.58 118.84 1uw9 h GLU 92 Ca 0.21 -0.28 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1uw9 h GLU 92 Cb 0.24 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1uw9 h GLU 92 CO -0.01 0.87 0.24 0.82 -1.16 0.00 0.00 179.01 179.77 1uw9 h ILE 93 N 0.62 0.95 -0.32 3.13 2.04 -0.96 0.11 117.51 123.07 1uw9 h ILE 93 Ca 0.09 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1uw9 h ILE 93 Cb 0.72 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1uw9 h ILE 93 CO 0.06 0.09 0.21 0.58 0.00 0.00 0.00 178.15 179.08 1uw9 h VAL 94 N 0.47 1.09 -0.57 1.67 2.07 -1.08 -1.64 116.25 118.26 1uw9 h VAL 94 Ca 0.22 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1uw9 h VAL 94 Cb 0.13 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1uw9 h VAL 94 CO -0.16 0.09 0.16 0.00 0.02 0.00 0.00 177.57 177.67 1uw9 h ALA 95 N 1.11 0.75 0.09 1.67 0.00 -0.71 -1.05 119.26 121.12 1uw9 h ALA 95 Ca 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1uw9 h ALA 95 Cb -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1uw9 h ALA 95 CO -0.02 0.44 -0.04 0.00 0.00 0.00 0.00 179.25 179.62 1uw9 h THR 97 N -0.38 1.01 -0.25 0.00 1.35 -1.28 -0.44 112.91 112.93 1uw9 h THR 97 Ca -0.01 -0.67 -0.08 0.00 -0.55 0.00 0.00 66.41 65.10 1uw9 h THR 97 Cb 0.32 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1uw9 h THR 97 CO 0.02 0.18 -0.15 0.50 -0.25 0.00 0.00 175.52 175.82 1uw9 h LYS 98 N 0.00 0.55 -0.11 4.72 3.64 -1.00 -2.05 116.57 122.32 1uw9 h LYS 98 Ca -0.00 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 1uw9 h LYS 98 Cb 0.36 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1uw9 h LYS 98 CO 0.02 0.82 -0.47 0.00 -2.27 0.00 0.00 179.45 177.56 1uw9 h ALA 99 N 0.72 1.01 -2.13 5.00 0.00 -0.90 -3.36 119.26 119.60 1uw9 h ALA 99 Ca 0.05 -0.45 -0.58 0.00 0.00 0.00 0.00 54.91 53.93 1uw9 h ALA 99 Cb 0.67 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.96 1uw9 h ALA 99 CO 0.04 0.63 -0.80 1.19 0.00 0.00 0.00 179.25 180.32 1uw9 n PHE 100 N -3.98 2.00 0.30 0.00 3.01 -0.21 -4.96 117.46 113.63 1uw9 n PHE 100 Ca -0.02 -3.91 0.17 0.00 1.01 0.00 0.00 57.45 54.70 1uw9 n PHE 100 Cb 0.52 -0.47 0.78 0.00 -0.01 0.00 0.00 39.48 40.30 1uw9 n PHE 100 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1uw9 h PRO 101 N 4.14 0.00 -0.32 -1.08 0.13 -1.52 -2.66 132.00 130.69 1uw9 h PRO 101 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1uw9 h PRO 101 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1uw9 h PRO 101 CO 0.68 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.20 1uw9 n ASP 102 N -2.81 2.96 -4.92 1.44 8.00 -1.26 -4.71 116.55 115.25 1uw9 n ASP 102 Ca -0.00 -1.87 -0.27 0.00 0.71 0.00 0.00 54.79 53.36 1uw9 n ASP 102 Cb 0.20 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1uw9 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uw9 s ALA 103 N -1.15 3.72 0.21 2.24 0.00 -1.00 -4.40 121.76 121.37 1uw9 s ALA 103 Ca 0.28 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 1uw9 s ALA 103 Cb 0.16 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 21.06 1uw9 s ALA 103 CO 0.22 0.23 1.13 0.71 0.00 0.00 0.00 175.76 178.06 1uw9 s TYR 104 N -2.08 3.53 -0.04 0.00 1.51 0.36 -3.94 117.35 116.69 1uw9 s TYR 104 Ca 0.41 1.57 0.02 0.00 -1.01 0.00 0.00 57.07 58.05 1uw9 s TYR 104 Cb -0.10 -3.33 0.01 0.00 -0.11 0.00 0.00 41.96 38.43 1uw9 s TYR 104 CO 0.31 -0.80 -0.07 0.08 -1.11 0.00 0.00 175.55 173.97 1uw9 s VAL 105 N -0.45 0.67 0.02 0.71 1.01 -0.19 -1.30 120.40 120.86 1uw9 s VAL 105 Ca 0.49 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1uw9 s VAL 105 Cb -0.31 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1uw9 s VAL 105 CO 0.37 0.24 -0.19 0.00 0.00 0.00 0.00 175.10 175.52 1uw9 s ARG 106 N 0.57 1.40 -0.13 2.72 1.70 0.18 -0.30 118.95 125.10 1uw9 s ARG 106 Ca -0.08 -0.80 -0.16 0.00 -0.47 0.00 0.00 55.73 54.21 1uw9 s ARG 106 Cb -0.12 -1.43 -0.04 0.00 -0.57 0.00 0.00 34.95 32.78 1uw9 s ARG 106 CO 0.01 0.38 0.40 -1.17 -1.08 0.00 0.00 175.30 173.83 1uw9 s LEU 107 N -0.84 4.27 0.28 -1.89 2.96 -0.45 -1.57 118.68 121.45 1uw9 s LEU 107 Ca 0.07 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 1uw9 s LEU 107 Cb -0.08 -2.55 -0.06 0.00 0.50 0.00 0.00 46.19 44.00 1uw9 s LEU 107 CO 0.01 0.06 0.04 0.68 -1.32 0.00 0.00 176.35 175.82 1uw9 s VAL 108 N 0.46 1.03 -0.03 1.68 -7.23 -0.05 -1.57 120.40 114.69 1uw9 s VAL 108 Ca 0.22 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.32 1uw9 s VAL 108 Cb -0.14 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 34.18 1uw9 s VAL 108 CO 0.08 -0.10 0.12 0.00 -0.31 0.00 0.00 175.10 174.88 1uw9 s ALA 109 N -3.42 -0.29 -0.03 1.32 0.00 -1.03 -0.91 121.76 117.40 1uw9 s ALA 109 Ca 0.34 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.47 1uw9 s ALA 109 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1uw9 s ALA 109 CO 0.13 -0.11 -0.05 -0.06 0.00 0.00 0.00 175.76 175.67 1uw9 s PHE 110 N -0.47 2.95 -0.26 0.00 0.08 0.41 -0.27 117.98 120.43 1uw9 s PHE 110 Ca -0.05 0.02 -0.09 0.00 0.12 0.00 0.00 56.93 56.93 1uw9 s PHE 110 Cb -0.04 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1uw9 s PHE 110 CO 0.00 0.38 0.11 0.34 -0.10 0.00 0.00 175.22 175.96 1uw9 s ASP 111 N -1.21 5.45 0.02 1.36 -1.08 -0.31 -0.93 116.67 119.97 1uw9 s ASP 111 Ca 0.16 -0.13 0.28 0.00 -0.52 0.00 0.00 52.55 52.33 1uw9 s ASP 111 Cb -0.11 -1.99 0.99 0.00 -1.46 0.00 0.00 42.92 40.34 1uw9 s ASP 111 CO 0.06 -0.04 1.76 -0.46 0.52 0.00 0.00 175.17 177.02 1uw9 n ASN 112 N 4.95 0.22 -0.02 -0.34 6.94 -1.26 -1.23 115.26 124.52 1uw9 n ASN 112 Ca -0.15 0.31 -0.18 0.00 -0.02 0.00 0.00 54.58 54.53 1uw9 n ASN 112 Cb 0.52 -0.31 -0.13 0.00 -2.36 0.00 0.00 39.78 37.49 1uw9 n ASN 112 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1uw9 h GLN 113 N 0.00 0.13 0.00 -3.83 1.08 -1.95 -3.27 115.11 107.27 1uw9 h GLN 113 Ca 0.00 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1uw9 h GLN 113 Cb 0.53 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1uw9 h GLN 113 CO 0.00 1.11 -0.08 1.63 -0.95 0.00 0.00 178.83 180.54 1uw9 n LYS 114 N -4.34 0.12 -3.77 1.46 5.02 -1.25 -4.97 118.16 110.43 1uw9 n LYS 114 Ca -0.15 0.09 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 1uw9 n LYS 114 Cb 0.67 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 34.06 1uw9 n LYS 114 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1uw9 n GLN 115 N -1.84 -1.05 -3.59 1.97 7.27 -0.36 -5.02 117.38 114.76 1uw9 n GLN 115 Ca 0.06 0.55 -0.17 0.00 0.07 0.00 0.00 57.00 57.52 1uw9 n GLN 115 Cb 0.38 -3.19 -0.07 0.00 2.41 0.00 0.00 30.24 29.77 1uw9 n GLN 115 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1uw9 s VAL 116 N -3.27 0.01 0.24 1.69 0.11 -0.87 -5.02 120.40 113.29 1uw9 s VAL 116 Ca 0.27 -0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 58.91 1uw9 s VAL 116 Cb -0.13 -0.90 -0.11 0.00 -1.53 0.00 0.00 36.38 33.71 1uw9 s VAL 116 CO 0.90 -0.06 1.60 -1.58 -3.33 0.00 0.00 175.10 172.62 1uw9 s GLN 117 N -1.10 4.16 -0.00 1.54 0.74 -1.26 -1.16 119.66 122.58 1uw9 s GLN 117 Ca -0.11 2.50 0.05 0.00 0.05 0.00 0.00 55.36 57.86 1uw9 s GLN 117 Cb -0.02 -3.07 -0.07 0.00 1.10 0.00 0.00 33.01 30.95 1uw9 s GLN 117 CO 0.08 -0.63 0.19 1.51 -0.55 0.00 0.00 175.29 175.89 1uw9 n ILE 118 N 3.00 0.00 -3.87 -2.34 0.13 0.63 -4.88 119.36 112.03 1uw9 n ILE 118 Ca 0.11 -0.28 -0.08 0.00 -1.10 0.00 0.00 62.75 61.41 1uw9 n ILE 118 Cb 0.37 0.75 -0.03 0.00 -0.84 0.00 0.00 39.64 39.90 1uw9 n ILE 118 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1uw9 s MET 119 N -1.86 1.71 0.00 9.51 0.23 -1.21 -4.99 119.30 122.69 1uw9 s MET 119 Ca 0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 55.69 53.64 1uw9 s MET 119 Cb 0.04 0.58 0.00 0.00 -1.53 0.00 0.00 34.83 33.92 1uw9 s MET 119 CO 0.23 -0.77 0.00 0.41 -2.03 0.00 0.00 175.02 172.86 1uw9 n GLY 120 N -0.44 2.20 3.46 3.16 0.00 -1.26 -2.47 105.19 109.84 1uw9 n GLY 120 Ca -0.04 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1uw9 n GLY 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uw9 s PHE 121 N -1.43 -0.47 0.18 1.61 -0.71 -0.61 -4.37 117.98 112.19 1uw9 s PHE 121 Ca 0.00 0.34 -0.30 0.00 -1.04 0.00 0.00 56.93 55.93 1uw9 s PHE 121 Cb 0.00 0.54 -0.08 0.00 -1.21 0.00 0.00 43.02 42.27 1uw9 s PHE 121 CO 0.00 -0.71 1.14 -1.17 -1.34 0.00 0.00 175.22 173.14 1uw9 s LEU 122 N -2.52 4.47 -0.01 -1.99 2.96 -1.26 -1.34 118.68 119.00 1uw9 s LEU 122 Ca 0.02 2.15 0.05 0.00 -0.22 0.00 0.00 54.13 56.13 1uw9 s LEU 122 Cb -0.01 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 1uw9 s LEU 122 CO -0.10 -0.28 0.12 1.33 -1.32 0.00 0.00 176.35 176.11 1uw9 n VAL 123 N 2.38 0.00 -3.75 1.68 0.24 0.59 -4.88 118.33 114.59 1uw9 n VAL 123 Ca 0.03 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 1uw9 n VAL 123 Cb 0.46 0.47 -0.12 0.00 -1.47 0.00 0.00 33.84 33.18 1uw9 n VAL 123 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1uw9 s GLN 124 N -2.23 0.29 0.10 7.34 0.74 -0.79 -4.96 119.66 120.16 1uw9 s GLN 124 Ca -0.01 0.47 0.10 0.00 0.05 0.00 0.00 55.36 55.96 1uw9 s GLN 124 Cb 0.03 0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.16 1uw9 s GLN 124 CO 0.21 -0.09 -0.25 -0.98 -0.55 0.00 0.00 175.29 173.63 1uw9 s ARG 125 N 0.62 1.38 0.38 1.67 1.70 -1.26 -1.02 118.95 122.41 1uw9 s ARG 125 Ca -0.04 -1.22 -0.27 0.00 -0.47 0.00 0.00 55.73 53.73 1uw9 s ARG 125 Cb -0.05 -1.73 -0.11 0.00 -0.57 0.00 0.00 34.95 32.49 1uw9 s ARG 125 CO -0.04 0.42 1.29 -0.35 -1.08 0.00 0.00 175.30 175.54 1uw9 n PRO 126 N 1.17 2.06 0.14 3.89 -0.04 -1.25 -4.88 135.00 136.09 1uw9 n PRO 126 Ca -0.18 0.73 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 1uw9 n PRO 126 Cb 0.53 -2.37 0.51 0.00 -0.04 0.00 0.00 33.50 32.13 1uw9 n PRO 126 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1uw9 n LYS 127 N 0.32 0.21 0.07 0.54 2.85 -1.26 -1.84 118.16 119.05 1uw9 n LYS 127 Ca 0.05 0.44 0.12 0.00 -1.05 0.00 0.00 58.31 57.87 1uw9 n LYS 127 Cb 0.38 -1.90 0.46 0.00 -0.65 0.00 0.00 35.03 33.32 1uw9 n LYS 127 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1uw9 n SER 128 N -2.29 0.48 -4.72 -5.58 3.41 -1.26 -4.87 113.62 98.79 1uw9 n SER 128 Ca 0.02 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 1uw9 n SER 128 Cb 0.23 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1uw9 n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uw9 s ALA 129 N -3.12 3.81 -0.05 7.33 0.00 -0.77 -4.89 121.76 124.07 1uw9 s ALA 129 Ca 0.09 1.41 0.09 0.00 0.00 0.00 0.00 51.96 53.55 1uw9 s ALA 129 Cb 0.13 -3.65 0.15 0.00 0.00 0.00 0.00 23.12 19.75 1uw9 s ALA 129 CO 0.49 -0.85 1.07 2.89 0.00 0.00 0.00 175.76 179.36 1uw9 n ARG 130 N 4.17 0.44 -0.91 0.00 1.85 -1.26 -4.81 116.66 116.13 1uw9 n ARG 130 Ca 0.15 -1.67 0.06 0.00 -1.00 0.00 0.00 57.85 55.39 1uw9 n ARG 130 Cb 0.38 -0.78 0.40 0.00 -1.05 0.00 0.00 32.46 31.40 1uw9 n ARG 130 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1uw9 n ASP 131 N -0.41 5.65 -4.11 2.89 3.85 -1.26 -4.76 116.55 118.40 1uw9 n ASP 131 Ca 0.06 -2.97 -0.08 0.00 -0.71 0.00 0.00 54.79 51.09 1uw9 n ASP 131 Cb 0.73 -0.69 -0.10 0.00 -1.35 0.00 0.00 41.12 39.71 1uw9 n ASP 131 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1uw9 s TRP 132 N -2.80 0.60 0.08 2.11 1.48 -0.98 -1.07 118.94 118.35 1uw9 s TRP 132 Ca 0.55 -1.10 0.09 0.00 -1.06 0.00 0.00 56.10 54.58 1uw9 s TRP 132 Cb 0.42 -0.41 -0.03 0.00 -1.16 0.00 0.00 33.47 32.28 1uw9 s TRP 132 CO 0.16 -0.40 -0.22 -0.65 -4.06 0.00 0.00 176.95 171.77 1uw9 s GLN 133 N -3.94 1.80 0.79 3.25 -1.52 -1.22 -4.81 119.66 114.00 1uw9 s GLN 133 Ca 0.11 -1.13 -0.12 0.00 -1.95 0.00 0.00 55.36 52.26 1uw9 s GLN 133 Cb 0.08 -2.05 0.07 0.00 -0.22 0.00 0.00 33.01 30.89 1uw9 s GLN 133 CO -0.07 0.50 1.14 -1.25 -0.25 0.00 0.00 175.29 175.36 1uw9 s PRO 134 N -1.64 1.90 0.26 2.91 0.04 -1.26 -4.86 135.00 132.35 1uw9 s PRO 134 Ca 0.14 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 1uw9 s PRO 134 Cb -0.10 -1.83 0.55 0.00 0.04 0.00 0.00 34.50 33.15 1uw9 s PRO 134 CO 0.05 -1.96 1.76 0.00 0.04 0.00 0.00 177.00 176.89 1uw9 h ALA 135 N -0.97 1.29 -0.03 8.56 0.00 -1.98 -1.09 119.26 125.04 1uw9 h ALA 135 Ca -0.45 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1uw9 h ALA 135 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1uw9 h ALA 135 CO 0.48 -0.11 0.00 0.27 0.00 0.00 0.00 179.25 179.89 1uw9 n ASN 136 N -4.89 0.45 -0.21 0.00 6.94 -1.26 -3.12 115.26 113.17 1uw9 n ASN 136 Ca 0.17 -1.36 0.02 0.00 -0.02 0.00 0.00 54.58 53.39 1uw9 n ASN 136 Cb 0.45 -0.02 0.05 0.00 -2.36 0.00 0.00 39.78 37.90 1uw9 n ASN 136 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uw9 n LYS 137 N -0.55 2.25 0.22 -3.83 4.76 -0.42 -4.65 118.16 115.93 1uw9 n LYS 137 Ca 0.18 -1.49 0.10 0.00 -2.87 0.00 0.00 58.31 54.22 1uw9 n LYS 137 Cb 0.15 -1.09 0.47 0.00 -1.84 0.00 0.00 35.03 32.72 1uw9 n LYS 137 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uw9 h ARG 138 N 0.72 0.00 -5.26 1.97 3.08 -1.47 -3.44 114.38 109.98 1uw9 h ARG 138 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 1uw9 h ARG 138 Cb 0.49 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.34 1uw9 h ARG 138 CO 0.00 0.22 -0.77 -1.54 -1.07 0.00 0.00 179.97 176.82 1uw9 s SER 139 N -6.19 1.66 0.00 7.04 1.04 -1.26 -0.95 113.70 115.05 1uw9 s SER 139 Ca 0.00 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1uw9 s SER 139 Cb 0.10 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1uw9 s SER 139 CO 0.63 -0.12 0.18 1.33 0.98 0.00 0.00 173.24 176.24