#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 3.56 -0.22 0.03 1.00 -1.26 -5.02 119.30 117.38 1uw9 s MET 2 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 55.69 55.49 1uw9 s MET 2 Cb 0.00 -3.05 -0.03 0.00 0.00 0.00 0.00 34.83 31.75 1uw9 s MET 2 CO 0.00 0.63 0.06 0.08 0.00 0.00 0.00 175.02 175.79 1uw9 s VAL 3 N -1.36 4.41 -0.14 -6.03 1.01 -1.26 -4.84 120.40 112.19 1uw9 s VAL 3 Ca 0.29 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 1uw9 s VAL 3 Cb -0.13 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1uw9 s VAL 3 CO 0.18 0.38 1.40 0.86 0.00 0.00 0.00 175.10 177.92 1uw9 s TRP 4 N 1.19 2.54 0.11 5.22 -0.11 -1.26 -0.65 118.94 125.98 1uw9 s TRP 4 Ca 0.04 0.73 -0.30 0.00 1.22 0.00 0.00 56.10 57.79 1uw9 s TRP 4 Cb -0.14 -3.67 -0.06 0.00 -1.50 0.00 0.00 33.47 28.09 1uw9 s TRP 4 CO 0.03 -2.41 1.12 -0.08 -4.62 0.00 0.00 176.95 170.99 1uw9 s THR 5 N 3.79 4.04 -1.54 5.86 -1.32 -0.09 -4.93 115.64 121.45 1uw9 s THR 5 Ca 0.61 1.60 0.28 0.00 -1.21 0.00 0.00 61.69 62.97 1uw9 s THR 5 Cb -0.25 -4.02 0.33 0.00 -1.51 0.00 0.00 72.50 67.05 1uw9 s THR 5 CO 0.20 0.20 1.73 -0.81 -2.21 0.00 0.00 174.62 173.74 1uw9 n PRO 6 N 3.14 0.59 -4.40 7.08 -0.04 -1.26 -4.70 135.00 135.41 1uw9 n PRO 6 Ca 0.05 -0.25 -0.26 0.00 -0.04 0.00 0.00 63.50 63.00 1uw9 n PRO 6 Cb 0.47 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.59 2.23 -0.64 0.52 1.01 -1.26 -4.43 120.40 115.25 1uw9 s VAL 7 Ca 0.24 -1.94 -0.25 0.00 0.00 0.00 0.00 61.98 60.03 1uw9 s VAL 7 Cb 0.19 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.58 1uw9 s VAL 7 CO 0.52 -0.10 1.07 0.20 0.00 0.00 0.00 175.10 176.79 1uw9 s ASN 8 N -2.52 6.25 -0.26 3.32 0.01 -1.26 -4.94 114.94 115.54 1uw9 s ASN 8 Ca 0.18 -0.53 0.14 0.00 -0.71 0.00 0.00 52.86 51.95 1uw9 s ASN 8 Cb -0.08 -2.48 0.48 0.00 0.41 0.00 0.00 41.25 39.58 1uw9 s ASN 8 CO 0.08 -1.49 1.16 -3.20 -1.51 0.00 0.00 177.10 172.15 1uw9 n ASN 9 N 8.16 3.21 -4.76 -1.22 4.05 -1.12 -2.11 115.26 121.47 1uw9 n ASN 9 Ca 0.01 -2.99 -0.39 0.00 0.45 0.00 0.00 54.58 51.65 1uw9 n ASN 9 Cb 0.47 -0.40 0.01 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 -3.48 3.69 0.42 1.20 -0.14 -0.17 -4.85 119.74 116.41 1uw9 s LYS 10 Ca 0.40 2.28 0.02 0.00 -1.36 0.00 0.00 55.97 57.32 1uw9 s LYS 10 Cb 0.37 -2.62 0.02 0.00 -1.68 0.00 0.00 37.83 33.93 1uw9 s LYS 10 CO -0.01 -0.76 0.20 -1.33 -0.76 0.00 0.00 175.35 172.68 1uw9 n MET 11 N -0.23 0.91 -2.73 1.68 2.81 -1.26 -4.68 117.12 113.62 1uw9 n MET 11 Ca 0.06 -2.82 -0.04 0.00 -1.81 0.00 0.00 57.70 53.09 1uw9 n MET 11 Cb 0.43 0.49 0.08 0.00 -0.71 0.00 0.00 33.22 33.51 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 -1.32 -0.27 -5.00 2.03 3.01 -1.26 -5.11 117.46 109.53 1uw9 n PHE 12 Ca -0.08 -2.13 0.00 0.00 1.01 0.00 0.00 57.45 56.25 1uw9 n PHE 12 Cb 0.50 0.52 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 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 -0.74 0.00 -1.67 -1.08 -0.58 -1.26 -4.58 120.64 110.73 1uw9 n GLU 13 Ca -0.01 0.00 -0.49 0.00 -0.42 0.00 0.00 57.16 56.24 1uw9 n GLU 13 Cb 0.83 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.65 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 0.29 -0.78 2.62 -1.04 -1.26 -1.57 114.28 112.53 1uw9 n THR 14 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1uw9 n THR 14 Cb 0.00 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 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 4.94 0.00 0.67 -1.42 0.99 -1.26 -4.56 117.46 116.82 1uw9 n PHE 15 Ca 0.21 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.75 1uw9 n PHE 15 Cb 0.26 0.00 0.43 0.00 -1.00 0.00 0.00 39.48 39.17 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 0.06 -0.60 4.37 3.41 -0.61 -2.17 113.62 118.08 1uw9 n SER 16 Ca 0.00 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 1uw9 n SER 16 Cb 0.00 -0.52 0.37 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.56 0.00 -3.18 7.33 4.02 -1.26 -4.86 117.16 117.64 1uw9 n TYR 17 Ca 0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.72 1uw9 n TYR 17 Cb 0.24 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 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 -2.06 3.78 0.66 7.72 1.43 -0.92 -5.08 118.68 124.21 1uw9 s LEU 18 Ca 0.33 0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.39 1uw9 s LEU 18 Cb 0.20 -3.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 1uw9 s LEU 18 CO 0.35 -0.59 1.22 -2.65 0.23 0.00 0.00 176.35 174.91 1uw9 n PRO 19 N -1.91 0.98 -1.60 1.29 -0.02 -1.26 -4.88 135.00 127.60 1uw9 n PRO 19 Ca 0.00 0.39 -0.46 0.00 -2.02 0.00 0.00 63.50 61.41 1uw9 n PRO 19 Cb 0.58 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.86 1.42 -2.18 0.52 -0.02 -1.26 -4.86 135.00 126.77 1uw9 n PRO 20 Ca 0.15 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1uw9 n PRO 20 Cb 0.48 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 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 0.43 4.39 0.89 2.45 1.43 -1.26 -5.03 118.68 121.98 1uw9 s LEU 21 Ca 0.66 2.38 -0.12 0.00 -1.03 0.00 0.00 54.13 56.03 1uw9 s LEU 21 Cb -0.75 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.00 1uw9 s LEU 21 CO 0.55 -0.61 1.10 0.42 0.23 0.00 0.00 176.35 178.04 1uw9 s THR 22 N 0.63 2.60 0.29 5.49 -4.23 -1.26 -4.82 115.64 114.33 1uw9 s THR 22 Ca 0.61 0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 61.29 1uw9 s THR 22 Cb -0.37 -2.75 0.26 0.00 1.34 0.00 0.00 72.50 70.99 1uw9 s THR 22 CO 0.34 -0.25 1.95 0.44 -0.54 0.00 0.00 174.62 176.56 1uw9 h ASP 23 N -1.51 0.99 -0.58 3.99 3.32 -1.99 -0.25 116.42 120.40 1uw9 h ASP 23 Ca -0.50 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.48 1uw9 h ASP 23 Cb 1.29 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1uw9 h ASP 23 CO 0.56 0.70 0.16 -0.08 -1.72 0.00 0.00 179.24 178.87 1uw9 h GLU 24 N 1.16 0.95 -0.37 3.56 4.81 -1.99 0.09 114.58 122.80 1uw9 h GLU 24 Ca 0.33 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 1uw9 h GLU 24 Cb -0.08 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1uw9 h GLU 24 CO -0.08 0.84 -0.34 1.96 -0.73 0.00 0.00 179.01 180.66 1uw9 h GLN 25 N 0.91 0.84 -0.17 1.92 4.20 -1.65 -1.55 115.11 119.61 1uw9 h GLN 25 Ca 0.20 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1uw9 h GLN 25 Cb 0.31 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1uw9 h GLN 25 CO -0.00 1.05 0.03 0.82 -0.67 0.00 0.00 178.83 180.05 1uw9 h ILE 26 N 0.70 1.22 -0.97 2.54 2.04 -0.84 -2.37 117.51 119.82 1uw9 h ILE 26 Ca 0.07 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.31 1uw9 h ILE 26 Cb 0.90 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 38.28 1uw9 h ILE 26 CO 0.08 0.22 0.62 0.00 0.00 0.00 0.00 178.15 179.07 1uw9 h ALA 27 N 0.82 1.52 -0.58 1.87 0.00 -0.94 -0.71 119.26 121.23 1uw9 h ALA 27 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1uw9 h ALA 27 Cb 0.31 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1uw9 h ALA 27 CO 0.00 0.28 0.13 0.00 0.00 0.00 0.00 179.25 179.67 1uw9 h ALA 28 N 1.52 1.13 -0.49 0.00 0.00 -1.07 -0.33 119.26 120.02 1uw9 h ALA 28 Ca 0.45 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1uw9 h ALA 28 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1uw9 h ALA 28 CO -0.21 0.58 -0.19 1.96 0.00 0.00 0.00 179.25 181.39 1uw9 h GLN 29 N 0.87 0.99 -0.75 0.00 1.08 -0.70 -2.19 115.11 114.41 1uw9 h GLN 29 Ca 0.19 -0.41 -0.05 0.00 -1.45 0.00 0.00 58.65 56.93 1uw9 h GLN 29 Cb 0.33 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 1uw9 h GLN 29 CO 0.00 1.09 0.28 0.28 -0.95 0.00 0.00 178.83 179.52 1uw9 h VAL 30 N 0.86 1.26 -0.98 -0.54 2.07 -0.86 -2.09 116.25 115.97 1uw9 h VAL 30 Ca 0.12 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.85 1uw9 h VAL 30 Cb 0.77 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1uw9 h VAL 30 CO 0.06 0.34 0.64 0.44 0.02 0.00 0.00 177.57 179.07 1uw9 h ASP 31 N 1.10 1.02 -0.69 0.57 3.32 -0.84 -2.09 116.42 118.81 1uw9 h ASP 31 Ca 0.25 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1uw9 h ASP 31 Cb 0.25 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1uw9 h ASP 31 CO -0.02 0.66 0.29 0.22 -1.72 0.00 0.00 179.24 178.67 1uw9 h TYR 32 N 1.16 1.04 -0.04 4.55 3.20 -0.88 0.15 116.97 126.16 1uw9 h TYR 32 Ca 0.42 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.23 1uw9 h TYR 32 Cb 0.15 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1uw9 h TYR 32 CO -0.00 0.80 -0.05 0.82 -1.64 0.00 0.00 178.16 178.09 1uw9 h ILE 33 N 0.98 0.85 -0.27 1.81 2.04 -0.82 -2.40 117.51 119.70 1uw9 h ILE 33 Ca 0.23 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.04 1uw9 h ILE 33 Cb 0.19 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1uw9 h ILE 33 CO -0.02 0.00 -0.03 0.58 0.00 0.00 0.00 178.15 178.68 1uw9 h VAL 34 N -0.08 1.27 -0.81 1.67 2.07 -1.18 -1.89 116.25 117.30 1uw9 h VAL 34 Ca 0.03 -1.00 0.15 0.00 0.82 0.00 0.00 66.70 66.71 1uw9 h VAL 34 Cb 0.12 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1uw9 h VAL 34 CO -0.08 0.32 0.54 0.00 0.02 0.00 0.00 177.57 178.36 1uw9 h ALA 35 N 0.79 2.05 -0.01 1.67 0.00 -0.66 -1.10 119.26 122.00 1uw9 h ALA 35 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1uw9 h ALA 35 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1uw9 h ALA 35 CO 0.02 -0.28 -0.15 0.09 0.00 0.00 0.00 179.25 178.93 1uw9 n ASN 36 N -4.50 1.55 -0.95 0.00 3.02 -0.91 -4.95 115.26 108.51 1uw9 n ASN 36 Ca 0.16 -1.33 -0.10 0.00 -0.03 0.00 0.00 54.58 53.29 1uw9 n ASN 36 Cb 0.54 0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.79 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 1.29 0.41 3.89 7.41 0.00 -0.42 -5.03 105.19 112.73 1uw9 n GLY 37 Ca 0.15 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.43 3.51 -0.42 1.61 0.51 -0.76 -4.99 118.94 115.97 1uw9 s TRP 38 Ca 0.00 0.99 -0.19 0.00 -2.12 0.00 0.00 56.10 54.78 1uw9 s TRP 38 Cb 0.00 -2.62 0.02 0.00 -0.81 0.00 0.00 33.47 30.06 1uw9 s TRP 38 CO 0.00 -0.63 0.54 0.42 -0.51 0.00 0.00 176.95 176.77 1uw9 s ILE 39 N -3.02 4.96 0.51 2.03 1.01 0.21 -4.71 121.20 122.19 1uw9 s ILE 39 Ca 0.53 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.90 1uw9 s ILE 39 Cb -0.11 -4.11 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 1uw9 s ILE 39 CO 0.49 -0.49 1.08 -2.84 0.00 0.00 0.00 174.94 173.18 1uw9 s PRO 40 N 2.48 3.61 -0.13 2.79 0.02 -1.26 -0.20 135.00 142.31 1uw9 s PRO 40 Ca 0.18 1.46 -0.28 0.00 0.02 0.00 0.00 61.00 62.38 1uw9 s PRO 40 Cb -0.16 -2.06 0.07 0.00 0.02 0.00 0.00 34.50 32.37 1uw9 s PRO 40 CO 0.16 -0.61 0.67 0.00 -0.33 0.00 0.00 177.00 176.89 1uw9 s LEU 42 N -0.58 3.24 0.05 0.00 1.43 -1.26 -1.00 118.68 120.57 1uw9 s LEU 42 Ca -0.07 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1uw9 s LEU 42 Cb -0.02 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1uw9 s LEU 42 CO 0.06 0.26 -0.08 -1.61 0.23 0.00 0.00 176.35 175.22 1uw9 s GLU 43 N -1.59 0.58 0.10 1.70 2.02 -0.73 -0.81 118.70 119.96 1uw9 s GLU 43 Ca 0.19 -0.85 -0.11 0.00 0.02 0.00 0.00 54.97 54.22 1uw9 s GLU 43 Cb -0.11 -0.28 0.01 0.00 0.10 0.00 0.00 34.13 33.85 1uw9 s GLU 43 CO 0.09 0.04 0.24 -0.59 0.02 0.00 0.00 175.26 175.07 1uw9 s PHE 44 N -1.75 0.06 -0.16 1.61 -0.12 0.07 -0.71 117.98 116.99 1uw9 s PHE 44 Ca -0.06 -0.46 -0.24 0.00 -0.05 0.00 0.00 56.93 56.11 1uw9 s PHE 44 Cb -0.08 0.02 0.06 0.00 -0.63 0.00 0.00 43.02 42.40 1uw9 s PHE 44 CO -0.00 -0.58 0.62 0.00 -0.05 0.00 0.00 175.22 175.20 1uw9 s ALA 45 N -3.84 -1.57 0.80 1.99 0.00 -0.35 -0.81 121.76 117.98 1uw9 s ALA 45 Ca 0.04 1.51 -0.10 0.00 0.00 0.00 0.00 51.96 53.41 1uw9 s ALA 45 Cb 0.04 -0.60 0.08 0.00 0.00 0.00 0.00 23.12 22.64 1uw9 s ALA 45 CO -0.11 -0.32 1.10 -1.83 0.00 0.00 0.00 175.76 174.60 1uw9 s GLU 46 N -0.32 1.99 0.27 0.00 -1.05 -1.26 -0.52 118.70 117.81 1uw9 s GLU 46 Ca -0.05 1.21 -0.00 0.00 -0.15 0.00 0.00 54.97 55.98 1uw9 s GLU 46 Cb -0.03 -1.86 0.55 0.00 -0.44 0.00 0.00 34.13 32.35 1uw9 s GLU 46 CO 0.04 -1.84 1.77 0.00 0.95 0.00 0.00 175.26 176.18 1uw9 h ALA 47 N -1.28 1.35 0.00 -0.84 0.00 -1.96 0.22 119.26 116.75 1uw9 h ALA 47 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1uw9 h ALA 47 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1uw9 h ALA 47 CO 0.50 -0.04 0.00 -0.44 0.00 0.00 0.00 179.25 179.27 1uw9 h ASP 48 N 0.69 0.00 -0.27 0.00 3.32 -1.99 -2.76 116.42 115.41 1uw9 h ASP 48 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1uw9 h ASP 48 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1uw9 h ASP 48 CO -0.35 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.46 1uw9 n LYS 49 N -3.02 2.91 0.05 3.56 4.76 0.05 -4.72 118.16 121.75 1uw9 n LYS 49 Ca -0.01 -2.72 -0.23 0.00 -2.87 0.00 0.00 58.31 52.48 1uw9 n LYS 49 Cb 0.16 -1.76 -0.15 0.00 -1.84 0.00 0.00 35.03 31.44 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 1.82 0.23 -3.45 7.82 0.00 -1.32 -3.45 119.26 120.91 1uw9 h ALA 50 Ca 0.00 -1.20 -0.67 0.00 0.00 0.00 0.00 54.91 53.04 1uw9 h ALA 50 Cb 1.34 0.53 -0.15 0.00 0.00 0.00 0.00 17.79 19.50 1uw9 h ALA 50 CO 0.19 1.08 -0.66 0.71 0.00 0.00 0.00 179.25 180.57 1uw9 s TYR 51 N -2.56 3.01 0.17 0.00 1.51 -1.26 -4.95 117.35 113.28 1uw9 s TYR 51 Ca -0.18 0.05 -0.33 0.00 -1.01 0.00 0.00 57.07 55.60 1uw9 s TYR 51 Cb 0.06 -1.66 -0.16 0.00 -0.11 0.00 0.00 41.96 40.09 1uw9 s TYR 51 CO 0.82 0.43 1.14 1.55 -1.11 0.00 0.00 175.55 178.38 1uw9 n VAL 52 N 1.51 0.96 -4.18 0.71 3.14 -1.26 -4.72 118.33 114.49 1uw9 n VAL 52 Ca -0.15 -0.24 -0.17 0.00 -2.96 0.00 0.00 64.34 60.82 1uw9 n VAL 52 Cb 0.53 -0.81 -0.06 0.00 -1.06 0.00 0.00 33.84 32.44 1uw9 n VAL 52 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1uw9 n SER 53 N 1.96 -0.98 0.00 6.55 3.41 -0.43 -4.97 113.62 119.17 1uw9 n SER 53 Ca 0.15 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 1uw9 n SER 53 Cb 0.25 2.02 0.00 0.00 -0.26 0.00 0.00 64.21 66.21 1uw9 n SER 53 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1uw9 n ASN 54 N -1.68 1.23 -0.13 4.04 3.02 -1.26 -0.63 115.26 119.85 1uw9 n ASN 54 Ca 0.05 -1.39 0.12 0.00 -0.03 0.00 0.00 54.58 53.32 1uw9 n ASN 54 Cb 0.59 0.00 0.47 0.00 -0.61 0.00 0.00 39.78 40.23 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 0.47 0.00 3.52 9.09 -1.98 -1.36 114.58 124.31 1uw9 h GLU 55 Ca 0.00 -0.03 -0.02 0.00 0.05 0.00 0.00 59.36 59.36 1uw9 h GLU 55 Cb 0.31 -0.10 -0.00 0.00 -1.65 0.00 0.00 28.75 27.31 1uw9 h GLU 55 CO 0.00 0.31 -0.09 0.77 0.05 0.00 0.00 179.01 180.04 1uw9 h SER 56 N 0.48 0.00 0.25 3.06 0.02 -2.00 -2.95 113.55 112.41 1uw9 h SER 56 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1uw9 h SER 56 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1uw9 h SER 56 CO -0.10 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1uw9 n ALA 57 N -2.19 1.25 0.16 3.77 0.00 -0.51 -1.06 120.51 121.93 1uw9 n ALA 57 Ca -0.01 0.17 0.16 0.00 0.00 0.00 0.00 53.44 53.76 1uw9 n ALA 57 Cb 0.27 -1.34 0.76 0.00 0.00 0.00 0.00 19.45 19.14 1uw9 n ALA 57 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1uw9 h ILE 58 N 0.00 0.63 -0.01 0.00 2.10 -1.71 -1.84 117.51 116.68 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 0.13 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 1uw9 h ILE 58 CO 0.00 0.00 -0.08 0.54 -1.08 0.00 0.00 178.15 177.53 1uw9 n ARG 59 N -4.08 1.05 -3.84 2.19 1.74 -0.22 -4.95 116.66 108.54 1uw9 n ARG 59 Ca 0.03 -0.45 -0.28 0.00 -0.77 0.00 0.00 57.85 56.38 1uw9 n ARG 59 Cb 0.35 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.27 3.49 0.00 -1.55 2.99 -0.70 -5.12 117.98 114.83 1uw9 s PHE 60 Ca 0.34 0.24 0.00 0.00 0.00 0.00 0.00 56.93 57.51 1uw9 s PHE 60 Cb 0.20 -1.77 0.00 0.00 0.00 0.00 0.00 43.02 41.46 1uw9 s PHE 60 CO 0.42 0.48 0.00 0.41 -0.00 0.00 0.00 175.22 176.54 1uw9 n GLY 61 N -0.37 0.65 2.34 4.36 0.00 -1.26 -4.89 105.19 106.02 1uw9 n GLY 61 Ca -0.06 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 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 6.66 -0.76 1.61 7.64 -1.26 -4.37 113.62 123.14 1uw9 n SER 62 Ca 0.00 -2.94 0.05 0.00 1.01 0.00 0.00 58.87 57.00 1uw9 n SER 62 Cb 0.00 -1.34 0.12 0.00 -1.01 0.00 0.00 64.21 61.98 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 1.73 1.25 1.08 0.44 0.24 -1.26 -4.79 118.33 117.02 1uw9 n VAL 63 Ca 0.53 -2.05 0.14 0.00 -2.04 0.00 0.00 64.34 60.92 1uw9 n VAL 63 Cb 0.56 0.21 0.64 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.57 0.00 -4.70 -1.34 3.41 -1.26 -4.77 113.62 104.39 1uw9 n SER 64 Ca 0.12 0.37 -0.58 0.00 -0.26 0.00 0.00 58.87 58.52 1uw9 n SER 64 Cb 0.82 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 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 4.90 -1.44 -4.61 0.00 4.77 -1.26 -4.98 117.00 114.37 1uw9 n LEU 66 Ca 0.26 0.26 -0.35 0.00 -0.03 0.00 0.00 56.01 56.14 1uw9 n LEU 66 Cb 0.11 -2.55 -0.10 0.00 -2.33 0.00 0.00 43.42 38.55 1uw9 n LEU 66 CO 0.80 -0.56 -0.23 -0.47 -1.33 0.00 0.00 177.39 175.59 1uw9 s TYR 67 N -2.67 3.25 -0.06 -1.77 5.04 0.21 -5.10 117.35 116.25 1uw9 s TYR 67 Ca 0.00 0.04 -0.06 0.00 -2.44 0.00 0.00 57.07 54.61 1uw9 s TYR 67 Cb 0.00 -2.17 0.01 0.00 0.35 0.00 0.00 41.96 40.16 1uw9 s TYR 67 CO 0.00 0.04 0.17 0.71 -1.34 0.00 0.00 175.55 175.13 1uw9 s TYR 68 N 0.80 -0.16 0.60 4.97 2.02 -1.26 -4.97 117.35 119.35 1uw9 s TYR 68 Ca 0.05 0.38 -0.14 0.00 -0.37 0.00 0.00 57.07 56.98 1uw9 s TYR 68 Cb -0.13 0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.44 1uw9 s TYR 68 CO 0.02 -0.13 1.04 -0.51 -1.57 0.00 0.00 175.55 174.40 1uw9 s ASP 69 N -0.15 5.98 -0.36 2.29 1.01 0.20 -4.30 116.67 121.34 1uw9 s ASP 69 Ca -0.02 1.67 0.00 0.00 0.71 0.00 0.00 52.55 54.90 1uw9 s ASP 69 Cb -0.02 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1uw9 s ASP 69 CO 0.00 -1.03 0.00 0.59 0.21 0.00 0.00 175.17 174.94 1uw9 n ASN 70 N -2.21 -3.75 -0.03 0.27 3.02 -1.26 -1.31 115.26 109.98 1uw9 n ASN 70 Ca 0.08 0.08 -0.15 0.00 -0.03 0.00 0.00 54.58 54.56 1uw9 n ASN 70 Cb 0.53 -1.54 -0.11 0.00 -0.61 0.00 0.00 39.78 38.05 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 0.30 0.15 -6.61 3.52 3.08 -1.90 -3.40 114.38 109.53 1uw9 h ARG 71 Ca -0.07 -0.16 -0.53 0.00 0.07 0.00 0.00 59.98 59.30 1uw9 h ARG 71 Cb 0.33 0.04 0.03 0.00 0.08 0.00 0.00 29.97 30.45 1uw9 h ARG 71 CO 0.10 0.89 0.69 0.71 -1.07 0.00 0.00 179.97 181.29 1uw9 s TYR 72 N -3.16 3.25 0.23 3.04 2.02 -1.26 -5.04 117.35 116.43 1uw9 s TYR 72 Ca -0.16 1.08 0.02 0.00 -0.37 0.00 0.00 57.07 57.65 1uw9 s TYR 72 Cb 0.01 -3.64 0.02 0.00 -0.40 0.00 0.00 41.96 37.95 1uw9 s TYR 72 CO 0.73 -2.14 0.20 0.91 -1.57 0.00 0.00 175.55 173.68 1uw9 n TRP 73 N 3.32 -1.37 -3.44 2.71 7.02 -1.26 -5.06 117.44 119.36 1uw9 n TRP 73 Ca 0.09 -0.97 -0.37 0.00 -1.02 0.00 0.00 57.50 55.23 1uw9 n TRP 73 Cb 0.43 -0.20 -0.06 0.00 -2.42 0.00 0.00 31.31 29.06 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 -1.04 5.22 0.15 -0.99 2.01 0.01 -4.87 115.64 116.13 1uw9 s THR 74 Ca 0.15 0.75 -0.31 0.00 0.31 0.00 0.00 61.69 62.60 1uw9 s THR 74 Cb -0.01 -3.72 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 1uw9 s THR 74 CO 0.10 0.39 1.33 -0.32 -0.69 0.00 0.00 174.62 175.42 1uw9 s MET 75 N 0.31 4.37 -0.34 4.92 1.75 -1.26 -0.75 119.30 128.29 1uw9 s MET 75 Ca 0.21 2.03 -0.24 0.00 -1.25 0.00 0.00 55.69 56.44 1uw9 s MET 75 Cb -0.14 -3.23 0.01 0.00 2.84 0.00 0.00 34.83 34.30 1uw9 s MET 75 CO 0.08 -0.32 0.83 -0.46 -0.65 0.00 0.00 175.02 174.49 1uw9 s TRP 76 N 0.60 3.14 0.00 4.11 -0.11 0.01 -4.91 118.94 121.78 1uw9 s TRP 76 Ca 0.60 0.72 0.00 0.00 1.22 0.00 0.00 56.10 58.64 1uw9 s TRP 76 Cb -0.36 -3.40 0.00 0.00 -1.50 0.00 0.00 33.47 28.21 1uw9 s TRP 76 CO 0.34 -0.69 0.00 1.63 -4.62 0.00 0.00 176.95 173.60 1uw9 n LYS 77 N 6.44 0.00 -4.37 5.86 5.02 -1.26 -4.49 118.16 125.36 1uw9 n LYS 77 Ca 0.05 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.14 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 2.52 0.47 -0.35 1.43 -1.26 -5.09 118.68 116.40 1uw9 s LEU 78 Ca 0.00 -1.08 -0.23 0.00 -1.03 0.00 0.00 54.13 51.79 1uw9 s LEU 78 Cb 0.00 -0.64 -0.08 0.00 0.03 0.00 0.00 46.19 45.50 1uw9 s LEU 78 CO 0.00 -0.24 1.20 -2.65 0.23 0.00 0.00 176.35 174.89 1uw9 n PRO 79 N -0.44 1.64 -2.20 1.29 -0.02 -1.26 -4.82 135.00 129.19 1uw9 n PRO 79 Ca -0.07 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1uw9 n PRO 79 Cb 0.61 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 -0.30 3.73 -1.72 -0.52 2.81 0.54 -4.97 117.12 116.68 1uw9 n MET 80 Ca 0.09 -3.40 -0.43 0.00 -1.81 0.00 0.00 57.70 52.15 1uw9 n MET 80 Cb 0.42 -2.90 -0.02 0.00 -0.71 0.00 0.00 33.22 30.00 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 3.66 2.66 -0.61 2.03 3.72 -1.26 -1.75 117.46 125.91 1uw9 n PHE 81 Ca 0.46 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 58.11 1uw9 n PHE 81 Cb 0.34 -2.58 0.00 0.00 -0.94 0.00 0.00 39.48 36.30 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 2.53 1.70 3.69 1.37 0.00 -1.26 -5.00 105.19 108.23 1uw9 n GLY 82 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 5.65 1.52 -3.98 0.00 1.74 -1.26 -4.94 116.66 115.38 1uw9 n ARG 84 Ca 0.15 -1.67 -0.31 0.00 -0.77 0.00 0.00 57.85 55.25 1uw9 n ARG 84 Cb 0.41 -1.04 -0.15 0.00 -1.02 0.00 0.00 32.46 30.66 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 -1.53 4.15 0.41 0.55 2.15 -1.26 -4.99 116.67 116.15 1uw9 s ASP 85 Ca 0.12 -1.38 0.09 0.00 0.43 0.00 0.00 52.55 51.80 1uw9 s ASP 85 Cb 0.10 -1.33 0.90 0.00 -0.30 0.00 0.00 42.92 42.29 1uw9 s ASP 85 CO 0.01 -0.25 2.02 -0.65 -0.17 0.00 0.00 175.17 176.14 1uw9 h PRO 86 N 7.86 0.52 -0.35 4.34 0.11 -1.94 -1.89 132.00 140.64 1uw9 h PRO 86 Ca -0.16 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.87 1uw9 h PRO 86 Cb 1.05 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1uw9 h PRO 86 CO 0.44 0.34 0.04 0.52 -0.21 0.00 0.00 178.00 179.13 1uw9 h MET 87 N 0.53 0.53 -0.49 1.05 2.86 -1.99 -1.08 114.93 116.34 1uw9 h MET 87 Ca 0.21 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1uw9 h MET 87 Cb 0.17 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1uw9 h MET 87 CO -0.06 0.53 0.30 0.37 1.06 0.00 0.00 176.91 179.12 1uw9 h GLN 88 N 0.52 0.67 -0.19 1.72 4.15 -1.77 -0.31 115.11 119.89 1uw9 h GLN 88 Ca 0.12 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1uw9 h GLN 88 Cb 0.28 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1uw9 h GLN 88 CO 0.00 0.49 0.10 0.28 -1.93 0.00 0.00 178.83 177.77 1uw9 h VAL 89 N 0.66 1.12 -0.91 2.39 2.07 -1.32 -1.75 116.25 118.51 1uw9 h VAL 89 Ca 0.18 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1uw9 h VAL 89 Cb -0.01 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1uw9 h VAL 89 CO -0.03 0.12 0.61 -0.07 0.02 0.00 0.00 177.57 178.21 1uw9 h LEU 90 N 0.19 1.04 -0.98 2.57 3.38 -1.01 -1.33 115.31 119.18 1uw9 h LEU 90 Ca 0.07 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1uw9 h LEU 90 Cb 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1uw9 h LEU 90 CO -0.01 0.75 0.04 0.03 0.09 0.00 0.00 178.44 179.34 1uw9 h ARG 91 N 1.23 0.78 -0.25 1.13 3.08 -0.82 -2.21 114.38 117.32 1uw9 h ARG 91 Ca 0.34 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 60.07 1uw9 h ARG 91 Cb -0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 1uw9 h ARG 91 CO -0.08 0.76 -0.37 0.93 -1.07 0.00 0.00 179.97 180.15 1uw9 h GLU 92 N 0.73 0.56 -0.52 0.04 4.39 -0.48 -1.01 114.58 118.30 1uw9 h GLU 92 Ca 0.15 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1uw9 h GLU 92 Cb 0.40 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1uw9 h GLU 92 CO 0.01 0.85 0.29 0.82 -1.16 0.00 0.00 179.01 179.81 1uw9 h ILE 93 N 0.47 1.00 -0.20 3.13 2.04 -1.00 0.52 117.51 123.48 1uw9 h ILE 93 Ca 0.05 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.72 1uw9 h ILE 93 Cb 0.86 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1uw9 h ILE 93 CO 0.07 0.10 0.12 0.58 0.00 0.00 0.00 178.15 179.03 1uw9 h VAL 94 N 0.56 1.03 -0.74 1.67 2.07 -1.12 -1.89 116.25 117.84 1uw9 h VAL 94 Ca 0.22 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 1uw9 h VAL 94 Cb 0.08 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1uw9 h VAL 94 CO -0.13 0.05 0.25 0.00 0.02 0.00 0.00 177.57 177.76 1uw9 h ALA 95 N 1.08 1.03 0.11 1.67 0.00 -0.87 -1.09 119.26 121.19 1uw9 h ALA 95 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1uw9 h ALA 95 Cb -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1uw9 h ALA 95 CO -0.03 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.83 1uw9 h THR 97 N -0.54 0.97 -0.24 0.00 1.35 -1.34 -0.29 112.91 112.82 1uw9 h THR 97 Ca -0.02 -0.49 -0.09 0.00 -0.55 0.00 0.00 66.41 65.27 1uw9 h THR 97 Cb 0.43 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1uw9 h THR 97 CO 0.03 0.13 -0.18 0.50 -0.25 0.00 0.00 175.52 175.75 1uw9 h LYS 98 N 0.00 0.56 -0.09 4.72 3.64 -1.05 -2.24 116.57 122.10 1uw9 h LYS 98 Ca -0.00 -0.27 -0.12 0.00 -1.27 0.00 0.00 60.65 58.99 1uw9 h LYS 98 Cb 0.26 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1uw9 h LYS 98 CO 0.02 0.85 -0.48 0.00 -2.27 0.00 0.00 179.45 177.56 1uw9 h ALA 99 N 0.70 1.01 -2.12 5.00 0.00 -0.91 -3.36 119.26 119.59 1uw9 h ALA 99 Ca 0.05 -0.46 -0.58 0.00 0.00 0.00 0.00 54.91 53.91 1uw9 h ALA 99 Cb 0.72 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.01 1uw9 h ALA 99 CO 0.05 0.64 -0.80 1.19 0.00 0.00 0.00 179.25 180.33 1uw9 n PHE 100 N -3.97 2.01 0.29 0.00 3.01 -0.16 -4.95 117.46 113.69 1uw9 n PHE 100 Ca -0.02 -3.91 0.18 0.00 1.01 0.00 0.00 57.45 54.71 1uw9 n PHE 100 Cb 0.53 -0.47 0.81 0.00 -0.01 0.00 0.00 39.48 40.34 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 4.11 0.00 -0.45 -1.08 0.13 -1.55 -2.67 132.00 130.48 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 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.23 1uw9 n ASP 102 N -3.16 3.39 -4.93 1.44 8.00 -1.26 -4.71 116.55 115.32 1uw9 n ASP 102 Ca -0.01 -1.95 -0.25 0.00 0.71 0.00 0.00 54.79 53.29 1uw9 n ASP 102 Cb 0.25 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.20 3.72 0.21 2.24 0.00 -1.01 -4.42 121.76 121.30 1uw9 s ALA 103 Ca 0.37 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 1uw9 s ALA 103 Cb 0.20 -2.11 -0.08 0.00 0.00 0.00 0.00 23.12 21.14 1uw9 s ALA 103 CO 0.28 0.13 1.06 0.71 0.00 0.00 0.00 175.76 177.94 1uw9 s TYR 104 N -2.17 3.68 -0.04 0.00 1.51 0.32 -3.83 117.35 116.82 1uw9 s TYR 104 Ca 0.40 1.70 0.01 0.00 -1.01 0.00 0.00 57.07 58.18 1uw9 s TYR 104 Cb -0.10 -3.20 0.02 0.00 -0.11 0.00 0.00 41.96 38.56 1uw9 s TYR 104 CO 0.33 -0.32 -0.06 0.08 -1.11 0.00 0.00 175.55 174.47 1uw9 s VAL 105 N -0.63 0.66 0.03 0.71 1.01 -0.27 -1.22 120.40 120.70 1uw9 s VAL 105 Ca 0.46 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.31 1uw9 s VAL 105 Cb -0.29 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1uw9 s VAL 105 CO 0.36 0.25 -0.23 0.00 0.00 0.00 0.00 175.10 175.47 1uw9 s ARG 106 N 0.76 1.58 -0.13 2.72 1.70 0.11 -0.30 118.95 125.40 1uw9 s ARG 106 Ca -0.11 -0.97 -0.14 0.00 -0.47 0.00 0.00 55.73 54.03 1uw9 s ARG 106 Cb -0.14 -1.69 -0.05 0.00 -0.57 0.00 0.00 34.95 32.51 1uw9 s ARG 106 CO 0.01 0.44 0.34 -1.17 -1.08 0.00 0.00 175.30 173.84 1uw9 s LEU 107 N -1.09 4.29 0.25 -1.89 2.96 -0.48 -1.77 118.68 120.95 1uw9 s LEU 107 Ca 0.09 0.63 0.03 0.00 -0.22 0.00 0.00 54.13 54.66 1uw9 s LEU 107 Cb -0.09 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 1uw9 s LEU 107 CO 0.01 0.13 0.03 0.68 -1.32 0.00 0.00 176.35 175.88 1uw9 s VAL 108 N 0.20 0.93 -0.02 1.68 -7.23 -0.17 -1.55 120.40 114.25 1uw9 s VAL 108 Ca 0.19 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 1uw9 s VAL 108 Cb -0.14 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1uw9 s VAL 108 CO 0.06 -0.21 0.08 0.00 -0.31 0.00 0.00 175.10 174.73 1uw9 s ALA 109 N -3.49 -0.20 0.02 1.32 0.00 -0.97 -0.99 121.76 117.45 1uw9 s ALA 109 Ca 0.31 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1uw9 s ALA 109 Cb 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1uw9 s ALA 109 CO 0.11 -0.11 -0.04 -0.06 0.00 0.00 0.00 175.76 175.65 1uw9 s PHE 110 N -0.59 2.94 -0.24 0.00 0.08 0.72 -0.46 117.98 120.43 1uw9 s PHE 110 Ca -0.07 -0.01 -0.06 0.00 0.12 0.00 0.00 56.93 56.91 1uw9 s PHE 110 Cb -0.04 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1uw9 s PHE 110 CO 0.00 0.41 0.03 0.34 -0.10 0.00 0.00 175.22 175.91 1uw9 s ASP 111 N -1.59 4.86 0.05 1.36 -1.08 -0.33 -0.62 116.67 119.31 1uw9 s ASP 111 Ca 0.19 -0.31 0.27 0.00 -0.52 0.00 0.00 52.55 52.18 1uw9 s ASP 111 Cb -0.11 -1.86 0.94 0.00 -1.46 0.00 0.00 42.92 40.43 1uw9 s ASP 111 CO 0.10 -0.04 1.75 -0.46 0.52 0.00 0.00 175.17 177.03 1uw9 n ASN 112 N 4.88 0.30 -0.03 -0.34 6.94 -1.26 -1.02 115.26 124.73 1uw9 n ASN 112 Ca -0.17 0.33 -0.16 0.00 -0.02 0.00 0.00 54.58 54.56 1uw9 n ASN 112 Cb 0.51 -0.34 -0.13 0.00 -2.36 0.00 0.00 39.78 37.45 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 0.09 0.00 -3.83 1.08 -1.95 -3.27 115.11 107.22 1uw9 h GLN 113 Ca 0.00 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1uw9 h GLN 113 Cb 0.56 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1uw9 h GLN 113 CO 0.00 1.07 0.00 0.87 -0.95 0.00 0.00 178.83 179.82 1uw9 h LYS 114 N -0.81 0.00 -6.38 1.46 1.57 -2.02 -3.48 116.57 106.91 1uw9 h LYS 114 Ca -0.05 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.32 1uw9 h LYS 114 Cb 1.20 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.54 1uw9 h LYS 114 CO 0.04 0.00 -0.86 0.94 -0.57 0.00 0.00 179.45 179.00 1uw9 n GLN 115 N -2.38 -1.16 -3.60 3.15 7.27 -0.18 -5.02 117.38 115.46 1uw9 n GLN 115 Ca 0.05 0.65 -0.16 0.00 0.07 0.00 0.00 57.00 57.61 1uw9 n GLN 115 Cb 0.43 -3.51 -0.07 0.00 2.41 0.00 0.00 30.24 29.50 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 -3.25 0.02 0.21 1.69 0.11 -0.88 -5.02 120.40 113.27 1uw9 s VAL 116 Ca 0.25 -0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.85 1uw9 s VAL 116 Cb -0.11 -0.88 -0.10 0.00 -1.53 0.00 0.00 36.38 33.77 1uw9 s VAL 116 CO 0.87 -0.08 1.50 -1.58 -3.33 0.00 0.00 175.10 172.49 1uw9 s GLN 117 N -1.18 4.24 -0.00 1.54 0.74 -1.26 -1.19 119.66 122.54 1uw9 s GLN 117 Ca -0.11 2.33 0.06 0.00 0.05 0.00 0.00 55.36 57.69 1uw9 s GLN 117 Cb -0.02 -3.13 -0.07 0.00 1.10 0.00 0.00 33.01 30.89 1uw9 s GLN 117 CO 0.08 -0.52 0.23 1.51 -0.55 0.00 0.00 175.29 176.04 1uw9 n ILE 118 N 3.15 0.00 -3.74 -2.34 0.13 0.39 -4.90 119.36 112.05 1uw9 n ILE 118 Ca 0.10 -0.31 -0.08 0.00 -1.10 0.00 0.00 62.75 61.36 1uw9 n ILE 118 Cb 0.39 0.86 -0.02 0.00 -0.84 0.00 0.00 39.64 40.03 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 -1.76 1.60 0.00 9.51 0.23 -1.21 -4.99 119.30 122.68 1uw9 s MET 119 Ca 0.01 -0.82 0.00 0.00 -1.03 0.00 0.00 55.69 53.85 1uw9 s MET 119 Cb 0.04 0.59 0.00 0.00 -1.53 0.00 0.00 34.83 33.93 1uw9 s MET 119 CO 0.25 -0.73 0.00 0.41 -2.03 0.00 0.00 175.02 172.92 1uw9 n GLY 120 N -0.44 2.14 3.51 3.16 0.00 -1.26 -2.29 105.19 110.02 1uw9 n GLY 120 Ca -0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.52 -0.42 0.19 1.61 -0.71 -0.59 -4.42 117.98 112.12 1uw9 s PHE 121 Ca 0.00 0.44 -0.30 0.00 -1.04 0.00 0.00 56.93 56.03 1uw9 s PHE 121 Cb 0.00 0.51 -0.08 0.00 -1.21 0.00 0.00 43.02 42.23 1uw9 s PHE 121 CO 0.00 -0.56 1.28 -1.17 -1.34 0.00 0.00 175.22 173.43 1uw9 s LEU 122 N -2.06 4.42 -0.00 -1.99 2.96 -1.26 -1.38 118.68 119.36 1uw9 s LEU 122 Ca 0.01 2.35 0.06 0.00 -0.22 0.00 0.00 54.13 56.33 1uw9 s LEU 122 Cb -0.01 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.99 1uw9 s LEU 122 CO -0.05 -0.49 0.17 1.33 -1.32 0.00 0.00 176.35 176.00 1uw9 n VAL 123 N 2.61 0.00 -3.72 1.68 0.24 0.59 -4.87 118.33 114.86 1uw9 n VAL 123 Ca 0.06 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 1uw9 n VAL 123 Cb 0.43 0.62 -0.10 0.00 -1.47 0.00 0.00 33.84 33.32 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 -2.06 0.44 0.08 7.34 0.74 -0.82 -4.96 119.66 120.42 1uw9 s GLN 124 Ca -0.00 0.63 0.08 0.00 0.05 0.00 0.00 55.36 56.12 1uw9 s GLN 124 Cb 0.04 0.15 -0.03 0.00 1.10 0.00 0.00 33.01 34.27 1uw9 s GLN 124 CO 0.24 -0.09 -0.22 -0.98 -0.55 0.00 0.00 175.29 173.69 1uw9 s ARG 125 N 0.59 1.31 0.38 1.67 1.70 -1.26 -1.12 118.95 122.21 1uw9 s ARG 125 Ca -0.03 -1.11 -0.27 0.00 -0.47 0.00 0.00 55.73 53.85 1uw9 s ARG 125 Cb -0.05 -1.56 -0.11 0.00 -0.57 0.00 0.00 34.95 32.66 1uw9 s ARG 125 CO -0.04 0.38 1.30 -0.35 -1.08 0.00 0.00 175.30 175.52 1uw9 n PRO 126 N 1.37 2.11 0.10 3.89 -0.04 -1.25 -4.87 135.00 136.30 1uw9 n PRO 126 Ca -0.18 0.74 0.10 0.00 -0.04 0.00 0.00 63.50 64.13 1uw9 n PRO 126 Cb 0.53 -2.38 0.44 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.34 0.14 0.00 0.54 2.85 -1.26 -1.83 118.16 118.95 1uw9 n LYS 127 Ca 0.05 0.39 0.14 0.00 -1.05 0.00 0.00 58.31 57.84 1uw9 n LYS 127 Cb 0.38 -1.78 0.59 0.00 -0.65 0.00 0.00 35.03 33.57 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 -2.05 0.05 -4.71 -5.58 3.41 -1.26 -4.86 113.62 98.62 1uw9 n SER 128 Ca 0.02 0.37 -0.42 0.00 -0.26 0.00 0.00 58.87 58.59 1uw9 n SER 128 Cb 0.21 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 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 -2.96 3.74 -0.05 7.33 0.00 -0.76 -4.90 121.76 124.15 1uw9 s ALA 129 Ca 0.15 1.30 0.09 0.00 0.00 0.00 0.00 51.96 53.50 1uw9 s ALA 129 Cb 0.19 -3.63 0.15 0.00 0.00 0.00 0.00 23.12 19.83 1uw9 s ALA 129 CO 0.54 -0.85 1.07 2.89 0.00 0.00 0.00 175.76 179.41 1uw9 n ARG 130 N 4.42 0.47 -0.78 0.00 1.85 -1.26 -4.81 116.66 116.55 1uw9 n ARG 130 Ca 0.14 -1.70 0.07 0.00 -1.00 0.00 0.00 57.85 55.36 1uw9 n ARG 130 Cb 0.39 -0.81 0.37 0.00 -1.05 0.00 0.00 32.46 31.36 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 -0.44 5.19 -4.13 2.89 3.85 -1.26 -4.76 116.55 117.87 1uw9 n ASP 131 Ca 0.06 -2.77 -0.09 0.00 -0.71 0.00 0.00 54.79 51.29 1uw9 n ASP 131 Cb 0.73 -0.65 -0.10 0.00 -1.35 0.00 0.00 41.12 39.75 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 -2.46 0.73 0.08 2.11 1.48 -0.90 -1.00 118.94 118.98 1uw9 s TRP 132 Ca 0.50 -1.06 0.10 0.00 -1.06 0.00 0.00 56.10 54.57 1uw9 s TRP 132 Cb 0.37 -0.46 -0.03 0.00 -1.16 0.00 0.00 33.47 32.18 1uw9 s TRP 132 CO 0.16 -0.34 -0.25 -0.65 -4.06 0.00 0.00 176.95 171.82 1uw9 s GLN 133 N -3.92 1.70 0.76 3.25 -1.52 -1.22 -4.83 119.66 113.88 1uw9 s GLN 133 Ca 0.13 -1.18 -0.14 0.00 -1.95 0.00 0.00 55.36 52.22 1uw9 s GLN 133 Cb 0.07 -2.00 0.05 0.00 -0.22 0.00 0.00 33.01 30.92 1uw9 s GLN 133 CO -0.05 0.49 1.17 -1.25 -0.25 0.00 0.00 175.29 175.40 1uw9 s PRO 134 N -1.64 2.06 0.26 2.91 0.04 -1.26 -4.86 135.00 132.51 1uw9 s PRO 134 Ca 0.14 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1uw9 s PRO 134 Cb -0.10 -1.84 0.54 0.00 0.04 0.00 0.00 34.50 33.14 1uw9 s PRO 134 CO 0.05 -1.86 1.71 0.00 0.04 0.00 0.00 177.00 176.93 1uw9 h ALA 135 N -0.61 1.15 -0.01 8.56 0.00 -1.98 -0.97 119.26 125.40 1uw9 h ALA 135 Ca -0.46 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1uw9 h ALA 135 Cb 1.28 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1uw9 h ALA 135 CO 0.49 -0.28 0.00 0.27 0.00 0.00 0.00 179.25 179.74 1uw9 n ASN 136 N -5.05 0.12 -0.20 0.00 6.94 -1.26 -3.10 115.26 112.71 1uw9 n ASN 136 Ca 0.17 -1.27 0.02 0.00 -0.02 0.00 0.00 54.58 53.48 1uw9 n ASN 136 Cb 0.50 -0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.95 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 -0.80 1.99 0.19 -3.83 4.76 -0.38 -4.65 118.16 115.44 1uw9 n LYS 137 Ca 0.18 -1.41 0.04 0.00 -2.87 0.00 0.00 58.31 54.25 1uw9 n LYS 137 Cb 0.10 -1.08 0.38 0.00 -1.84 0.00 0.00 35.03 32.59 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 0.69 0.00 -5.77 1.97 3.08 -1.46 -3.44 114.38 109.45 1uw9 h ARG 138 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1uw9 h ARG 138 Cb 0.46 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.31 1uw9 h ARG 138 CO 0.00 0.37 -0.79 -1.54 -1.07 0.00 0.00 179.97 176.94 1uw9 s SER 139 N -6.65 2.25 0.00 7.04 1.04 -1.26 -0.92 113.70 115.20 1uw9 s SER 139 Ca -0.02 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1uw9 s SER 139 Cb 0.13 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1uw9 s SER 139 CO 0.70 -0.04 0.16 1.33 0.98 0.00 0.00 173.24 176.38