#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 3.23 -0.23 0.03 1.00 -1.26 -5.02 119.30 117.05 1uw9 s MET 2 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 55.69 55.20 1uw9 s MET 2 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 34.83 31.84 1uw9 s MET 2 CO 0.00 0.65 0.04 0.08 0.00 0.00 0.00 175.02 175.80 1uw9 s VAL 3 N -1.27 4.21 -0.07 -6.03 1.01 -1.26 -4.84 120.40 112.15 1uw9 s VAL 3 Ca 0.25 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1uw9 s VAL 3 Cb -0.12 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1uw9 s VAL 3 CO 0.17 0.38 1.55 0.86 0.00 0.00 0.00 175.10 178.05 1uw9 s TRP 4 N 1.31 2.27 0.11 5.22 -0.11 -1.26 -0.55 118.94 125.93 1uw9 s TRP 4 Ca 0.05 0.43 -0.30 0.00 1.22 0.00 0.00 56.10 57.50 1uw9 s TRP 4 Cb -0.15 -3.81 -0.06 0.00 -1.50 0.00 0.00 33.47 27.95 1uw9 s TRP 4 CO 0.03 -3.26 1.15 -0.08 -4.62 0.00 0.00 176.95 170.17 1uw9 s THR 5 N 3.68 3.98 -1.40 5.86 -1.32 -0.18 -4.92 115.64 121.34 1uw9 s THR 5 Ca 0.68 1.54 0.28 0.00 -1.21 0.00 0.00 61.69 62.98 1uw9 s THR 5 Cb -0.31 -3.98 0.30 0.00 -1.51 0.00 0.00 72.50 67.00 1uw9 s THR 5 CO 0.26 0.18 1.75 -0.81 -2.21 0.00 0.00 174.62 173.79 1uw9 n PRO 6 N 3.25 0.43 -4.38 7.08 -0.04 -1.26 -4.71 135.00 135.36 1uw9 n PRO 6 Ca 0.06 -0.17 -0.28 0.00 -0.04 0.00 0.00 63.50 63.08 1uw9 n PRO 6 Cb 0.46 -1.50 -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 -2.69 2.48 -0.55 0.52 1.01 -1.26 -4.43 120.40 115.48 1uw9 s VAL 7 Ca 0.22 -1.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.10 1uw9 s VAL 7 Cb 0.19 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.45 1uw9 s VAL 7 CO 0.54 -0.03 0.99 0.20 0.00 0.00 0.00 175.10 176.80 1uw9 s ASN 8 N -2.44 6.37 -0.27 3.32 0.01 -1.26 -4.95 114.94 115.71 1uw9 s ASN 8 Ca 0.19 -0.24 0.17 0.00 -0.71 0.00 0.00 52.86 52.27 1uw9 s ASN 8 Cb -0.09 -2.46 0.49 0.00 0.41 0.00 0.00 41.25 39.60 1uw9 s ASN 8 CO 0.09 -1.27 1.14 -3.20 -1.51 0.00 0.00 177.10 172.35 1uw9 n ASN 9 N 7.65 2.88 -4.77 -1.22 4.05 -1.09 -2.42 115.26 120.35 1uw9 n ASN 9 Ca 0.03 -2.70 -0.40 0.00 0.45 0.00 0.00 54.58 51.96 1uw9 n ASN 9 Cb 0.48 -0.43 0.00 0.00 1.23 0.00 0.00 39.78 41.07 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 -3.72 3.86 0.55 1.20 -0.14 -0.11 -4.85 119.74 116.53 1uw9 s LYS 10 Ca 0.36 2.30 0.04 0.00 -1.36 0.00 0.00 55.97 57.31 1uw9 s LYS 10 Cb 0.36 -2.73 0.03 0.00 -1.68 0.00 0.00 37.83 33.81 1uw9 s LYS 10 CO -0.01 -0.63 0.29 -1.64 -0.76 0.00 0.00 175.35 172.60 1uw9 s MET 11 N -2.31 2.23 -0.33 1.68 -1.94 -1.26 -4.68 119.30 112.69 1uw9 s MET 11 Ca 0.58 -2.18 0.16 0.00 -1.71 0.00 0.00 55.69 52.54 1uw9 s MET 11 Cb -0.41 -1.91 0.45 0.00 2.01 0.00 0.00 34.83 34.97 1uw9 s MET 11 CO 0.53 -0.60 1.13 1.19 -0.01 0.00 0.00 175.02 177.26 1uw9 n PHE 12 N -1.66 0.05 -4.45 -0.03 3.01 -1.26 -5.11 117.46 108.01 1uw9 n PHE 12 Ca -0.08 -2.37 0.00 0.00 1.01 0.00 0.00 57.45 56.01 1uw9 n PHE 12 Cb 0.65 0.28 0.00 0.00 -0.01 0.00 0.00 39.48 40.40 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 -0.42 0.00 -1.68 -1.08 -0.58 -1.26 -4.57 120.64 111.06 1uw9 n GLU 13 Ca 0.03 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.32 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 0.32 -0.77 2.62 -1.04 -1.26 -1.56 114.28 112.59 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 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 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 5.20 0.00 0.49 -1.42 0.99 -1.26 -4.56 117.46 116.90 1uw9 n PHE 15 Ca 0.19 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 0.44 0.00 -1.00 0.00 0.00 39.48 39.23 1uw9 n PHE 15 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1uw9 n SER 16 N 0.00 0.47 -0.62 4.37 7.64 -0.60 -2.10 113.62 122.77 1uw9 n SER 16 Ca 0.00 0.60 0.13 0.00 1.01 0.00 0.00 58.87 60.61 1uw9 n SER 16 Cb 0.00 -0.71 0.40 0.00 -1.01 0.00 0.00 64.21 62.90 1uw9 n SER 16 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1uw9 n TYR 17 N -2.00 0.01 -3.26 1.43 4.02 -1.26 -4.84 117.16 111.25 1uw9 n TYR 17 Ca 0.03 -0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.71 1uw9 n TYR 17 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 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 -1.99 3.84 0.66 7.72 1.43 -0.89 -5.08 118.68 124.37 1uw9 s LEU 18 Ca 0.35 0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 53.36 1uw9 s LEU 18 Cb 0.21 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 1uw9 s LEU 18 CO 0.32 -0.54 1.21 -2.65 0.23 0.00 0.00 176.35 174.92 1uw9 n PRO 19 N -1.84 0.95 -1.61 1.29 -0.02 -1.26 -4.88 135.00 127.62 1uw9 n PRO 19 Ca -0.00 0.38 -0.45 0.00 -2.02 0.00 0.00 63.50 61.41 1uw9 n PRO 19 Cb 0.58 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.87 1.52 -2.29 0.52 -0.02 -1.26 -4.86 135.00 126.74 1uw9 n PRO 20 Ca 0.15 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1uw9 n PRO 20 Cb 0.48 -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 0.24 4.40 0.87 2.45 1.43 -1.26 -5.03 118.68 121.78 1uw9 s LEU 21 Ca 0.63 2.26 -0.12 0.00 -1.03 0.00 0.00 54.13 55.87 1uw9 s LEU 21 Cb -0.71 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.03 1uw9 s LEU 21 CO 0.57 -0.51 1.10 0.42 0.23 0.00 0.00 176.35 178.16 1uw9 s THR 22 N 0.55 2.70 0.25 5.49 -4.23 -1.26 -4.81 115.64 114.33 1uw9 s THR 22 Ca 0.58 0.23 -0.04 0.00 -1.18 0.00 0.00 61.69 61.28 1uw9 s THR 22 Cb -0.34 -2.85 0.24 0.00 1.34 0.00 0.00 72.50 70.89 1uw9 s THR 22 CO 0.34 -0.30 1.88 0.44 -0.54 0.00 0.00 174.62 176.44 1uw9 h ASP 23 N -1.38 0.97 -0.93 3.99 3.32 -1.99 -0.14 116.42 120.25 1uw9 h ASP 23 Ca -0.49 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.57 1uw9 h ASP 23 Cb 1.29 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.59 1uw9 h ASP 23 CO 0.58 0.64 0.62 -0.08 -1.72 0.00 0.00 179.24 179.27 1uw9 h GLU 24 N 1.12 1.23 -0.26 3.56 4.81 -1.99 -0.20 114.58 122.84 1uw9 h GLU 24 Ca 0.39 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1uw9 h GLU 24 Cb 0.11 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1uw9 h GLU 24 CO -0.15 0.81 -0.48 1.96 -0.73 0.00 0.00 179.01 180.42 1uw9 h GLN 25 N 1.26 0.71 -0.16 1.92 4.20 -1.65 -1.59 115.11 119.81 1uw9 h GLN 25 Ca 0.34 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1uw9 h GLN 25 Cb -0.15 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1uw9 h GLN 25 CO -0.07 1.03 0.01 0.82 -0.67 0.00 0.00 178.83 179.95 1uw9 h ILE 26 N 0.56 1.24 -0.97 2.54 2.04 -0.79 -2.45 117.51 119.69 1uw9 h ILE 26 Ca 0.03 -0.80 0.09 0.00 1.00 0.00 0.00 64.86 65.18 1uw9 h ILE 26 Cb 1.04 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.52 1uw9 h ILE 26 CO 0.10 0.24 0.62 0.00 0.00 0.00 0.00 178.15 179.11 1uw9 h ALA 27 N 0.78 1.52 -0.48 1.87 0.00 -1.00 -1.08 119.26 120.87 1uw9 h ALA 27 Ca 0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1uw9 h ALA 27 Cb 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1uw9 h ALA 27 CO 0.01 0.29 0.03 0.00 0.00 0.00 0.00 179.25 179.58 1uw9 h ALA 28 N 1.52 1.15 -0.53 0.00 0.00 -1.12 -0.36 119.26 119.91 1uw9 h ALA 28 Ca 0.45 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1uw9 h ALA 28 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1uw9 h ALA 28 CO -0.20 0.55 -0.14 1.96 0.00 0.00 0.00 179.25 181.42 1uw9 h GLN 29 N 0.73 1.04 -0.70 0.00 1.08 -0.84 -2.10 115.11 114.31 1uw9 h GLN 29 Ca 0.15 -0.40 -0.05 0.00 -1.45 0.00 0.00 58.65 56.90 1uw9 h GLN 29 Cb 0.40 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1uw9 h GLN 29 CO 0.01 1.09 0.24 0.28 -0.95 0.00 0.00 178.83 179.50 1uw9 h VAL 30 N 0.91 1.25 -0.94 -0.54 2.07 -0.87 -2.14 116.25 115.99 1uw9 h VAL 30 Ca 0.13 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.85 1uw9 h VAL 30 Cb 0.72 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1uw9 h VAL 30 CO 0.05 0.34 0.62 0.44 0.02 0.00 0.00 177.57 179.04 1uw9 h ASP 31 N 1.02 1.00 -0.46 0.57 3.32 -0.89 -2.05 116.42 118.93 1uw9 h ASP 31 Ca 0.23 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.29 1uw9 h ASP 31 Cb 0.28 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1uw9 h ASP 31 CO -0.01 0.67 0.29 0.22 -1.72 0.00 0.00 179.24 178.69 1uw9 h TYR 32 N 1.15 0.55 -0.07 4.55 3.20 -0.86 0.96 116.97 126.46 1uw9 h TYR 32 Ca 0.39 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.30 1uw9 h TYR 32 Cb 0.08 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 1uw9 h TYR 32 CO -0.00 0.34 -0.14 0.82 -1.64 0.00 0.00 178.16 177.54 1uw9 h ILE 33 N 0.59 0.64 -0.23 1.81 2.04 -0.81 -2.50 117.51 119.06 1uw9 h ILE 33 Ca 0.18 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 1uw9 h ILE 33 Cb -0.04 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1uw9 h ILE 33 CO -0.06 0.00 -0.00 0.58 0.00 0.00 0.00 178.15 178.67 1uw9 h VAL 34 N -0.20 1.26 -0.83 1.67 2.07 -1.18 -2.00 116.25 117.04 1uw9 h VAL 34 Ca 0.07 -0.90 0.17 0.00 0.82 0.00 0.00 66.70 66.87 1uw9 h VAL 34 Cb 0.30 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1uw9 h VAL 34 CO -0.18 0.28 0.55 0.00 0.02 0.00 0.00 177.57 178.24 1uw9 h ALA 35 N 0.80 2.16 -0.02 1.67 0.00 -0.75 -0.90 119.26 122.22 1uw9 h ALA 35 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1uw9 h ALA 35 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1uw9 h ALA 35 CO 0.01 -0.40 -0.14 0.09 0.00 0.00 0.00 179.25 178.82 1uw9 n ASN 36 N -4.49 1.79 -0.90 0.00 3.02 -0.95 -4.96 115.26 108.77 1uw9 n ASN 36 Ca 0.17 -1.46 -0.09 0.00 -0.03 0.00 0.00 54.58 53.17 1uw9 n ASN 36 Cb 0.61 0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.87 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 0.39 3.90 7.41 0.00 -0.34 -5.03 105.19 112.81 1uw9 n GLY 37 Ca 0.15 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.41 3.42 -0.42 1.61 0.51 -0.80 -4.98 118.94 115.87 1uw9 s TRP 38 Ca 0.00 0.86 -0.17 0.00 -2.12 0.00 0.00 56.10 54.67 1uw9 s TRP 38 Cb 0.00 -2.66 0.02 0.00 -0.81 0.00 0.00 33.47 30.03 1uw9 s TRP 38 CO 0.00 -0.69 0.45 0.42 -0.51 0.00 0.00 176.95 176.61 1uw9 s ILE 39 N -3.00 5.08 0.49 2.03 1.01 -0.01 -4.71 121.20 122.08 1uw9 s ILE 39 Ca 0.53 -0.35 -0.22 0.00 0.00 0.00 0.00 60.65 60.61 1uw9 s ILE 39 Cb -0.11 -4.05 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 1uw9 s ILE 39 CO 0.48 -0.44 1.13 -2.84 0.00 0.00 0.00 174.94 173.26 1uw9 s PRO 40 N 2.16 3.66 -0.07 2.79 0.02 -1.26 -0.31 135.00 141.99 1uw9 s PRO 40 Ca 0.12 1.66 -0.24 0.00 0.02 0.00 0.00 61.00 62.56 1uw9 s PRO 40 Cb -0.17 -2.25 0.05 0.00 0.02 0.00 0.00 34.50 32.15 1uw9 s PRO 40 CO 0.14 -0.61 0.54 0.00 -0.33 0.00 0.00 177.00 176.74 1uw9 s LEU 42 N -0.94 3.04 0.06 0.00 1.43 -1.26 -0.84 118.68 120.17 1uw9 s LEU 42 Ca -0.10 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1uw9 s LEU 42 Cb -0.02 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1uw9 s LEU 42 CO 0.06 0.26 -0.09 -1.61 0.23 0.00 0.00 176.35 175.20 1uw9 s GLU 43 N -1.53 0.67 0.11 1.70 2.02 -0.67 -0.77 118.70 120.23 1uw9 s GLU 43 Ca 0.17 -0.92 -0.09 0.00 0.02 0.00 0.00 54.97 54.15 1uw9 s GLU 43 Cb -0.11 -0.43 0.00 0.00 0.10 0.00 0.00 34.13 33.69 1uw9 s GLU 43 CO 0.08 0.08 0.23 -0.59 0.02 0.00 0.00 175.26 175.08 1uw9 s PHE 44 N -1.75 0.17 -0.15 1.61 -0.12 0.06 -0.86 117.98 116.94 1uw9 s PHE 44 Ca -0.04 -0.57 -0.24 0.00 -0.05 0.00 0.00 56.93 56.02 1uw9 s PHE 44 Cb -0.07 -0.03 0.06 0.00 -0.63 0.00 0.00 43.02 42.35 1uw9 s PHE 44 CO 0.00 -0.60 0.61 0.00 -0.05 0.00 0.00 175.22 175.19 1uw9 s ALA 45 N -3.88 -1.55 0.71 1.99 0.00 -0.48 -0.76 121.76 117.79 1uw9 s ALA 45 Ca 0.07 1.47 -0.13 0.00 0.00 0.00 0.00 51.96 53.37 1uw9 s ALA 45 Cb 0.04 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1uw9 s ALA 45 CO -0.09 -0.32 1.12 -1.83 0.00 0.00 0.00 175.76 174.64 1uw9 s GLU 46 N -0.36 2.50 0.30 0.00 -1.05 -1.26 -0.38 118.70 118.45 1uw9 s GLU 46 Ca -0.05 1.37 0.05 0.00 -0.15 0.00 0.00 54.97 56.19 1uw9 s GLU 46 Cb -0.03 -1.91 0.79 0.00 -0.44 0.00 0.00 34.13 32.54 1uw9 s GLU 46 CO 0.04 -1.48 1.68 0.00 0.95 0.00 0.00 175.26 176.45 1uw9 h ALA 47 N -0.41 1.50 0.00 -0.84 0.00 -1.96 0.69 119.26 118.23 1uw9 h ALA 47 Ca -0.46 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1uw9 h ALA 47 Cb 1.25 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1uw9 h ALA 47 CO 0.52 -0.41 -0.02 -0.44 0.00 0.00 0.00 179.25 178.90 1uw9 h ASP 48 N 0.34 0.00 -0.31 0.00 3.32 -1.99 -2.89 116.42 114.89 1uw9 h ASP 48 Ca 0.59 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.64 1uw9 h ASP 48 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1uw9 h ASP 48 CO -0.58 0.02 0.00 0.29 -1.72 0.00 0.00 179.24 177.25 1uw9 n LYS 49 N -3.19 3.03 0.04 3.56 4.76 0.22 -4.73 118.16 121.85 1uw9 n LYS 49 Ca -0.02 -2.65 -0.22 0.00 -2.87 0.00 0.00 58.31 52.55 1uw9 n LYS 49 Cb 0.18 -1.71 -0.14 0.00 -1.84 0.00 0.00 35.03 31.51 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 2.05 0.20 -3.30 7.82 0.00 -1.32 -3.45 119.26 121.27 1uw9 h ALA 50 Ca 0.00 -1.17 -0.66 0.00 0.00 0.00 0.00 54.91 53.08 1uw9 h ALA 50 Cb 1.28 0.51 -0.12 0.00 0.00 0.00 0.00 17.79 19.45 1uw9 h ALA 50 CO 0.18 1.01 -0.63 0.71 0.00 0.00 0.00 179.25 180.52 1uw9 s TYR 51 N -2.55 3.11 0.12 0.00 1.51 -1.26 -4.95 117.35 113.33 1uw9 s TYR 51 Ca -0.18 0.09 -0.35 0.00 -1.01 0.00 0.00 57.07 55.62 1uw9 s TYR 51 Cb 0.05 -1.66 -0.17 0.00 -0.11 0.00 0.00 41.96 40.08 1uw9 s TYR 51 CO 0.81 0.49 1.11 1.55 -1.11 0.00 0.00 175.55 178.40 1uw9 n VAL 52 N 1.16 0.65 -4.13 0.71 3.14 -1.26 -4.71 118.33 113.89 1uw9 n VAL 52 Ca -0.13 -0.16 -0.14 0.00 -2.96 0.00 0.00 64.34 60.94 1uw9 n VAL 52 Cb 0.52 -0.58 -0.05 0.00 -1.06 0.00 0.00 33.84 32.68 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 2.00 -0.79 0.00 6.55 3.41 -0.66 -4.97 113.62 119.16 1uw9 n SER 53 Ca 0.17 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1uw9 n SER 53 Cb 0.20 1.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 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 -1.85 1.19 -0.11 4.04 3.02 -1.26 -0.68 115.26 119.61 1uw9 n ASN 54 Ca 0.04 -1.44 0.08 0.00 -0.03 0.00 0.00 54.58 53.23 1uw9 n ASN 54 Cb 0.49 0.00 0.42 0.00 -0.61 0.00 0.00 39.78 40.08 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 0.57 0.00 3.52 9.09 -1.99 -1.66 114.58 124.11 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 0.42 -0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 27.39 1uw9 h GLU 55 CO 0.00 0.37 -0.07 0.77 0.05 0.00 0.00 179.01 180.13 1uw9 h SER 56 N 0.58 0.00 0.20 3.06 0.02 -2.00 -2.94 113.55 112.46 1uw9 h SER 56 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1uw9 h SER 56 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1uw9 h SER 56 CO -0.08 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.68 1uw9 h ALA 57 N 1.93 1.00 -0.31 3.77 0.00 -1.70 -0.81 119.26 123.13 1uw9 h ALA 57 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1uw9 h ALA 57 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1uw9 h ALA 57 CO 0.01 0.00 0.29 0.97 0.00 0.00 0.00 179.25 180.52 1uw9 h ILE 58 N 0.00 0.55 -0.01 0.00 2.10 -1.71 -1.43 117.51 117.02 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 0.10 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 36.61 1uw9 h ILE 58 CO 0.00 0.00 -0.11 0.54 -1.08 0.00 0.00 178.15 177.50 1uw9 n ARG 59 N -3.97 1.05 -3.75 2.19 1.74 -0.31 -4.95 116.66 108.66 1uw9 n ARG 59 Ca 0.05 -0.50 -0.29 0.00 -0.77 0.00 0.00 57.85 56.33 1uw9 n ARG 59 Cb 0.45 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 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 -2.30 3.49 0.00 -1.55 2.99 -0.54 -5.11 117.98 114.95 1uw9 s PHE 60 Ca 0.32 0.35 0.00 0.00 0.00 0.00 0.00 56.93 57.60 1uw9 s PHE 60 Cb 0.20 -1.85 0.00 0.00 0.00 0.00 0.00 43.02 41.37 1uw9 s PHE 60 CO 0.44 0.44 0.00 0.41 -0.00 0.00 0.00 175.22 176.51 1uw9 n GLY 61 N -0.31 -0.06 2.30 4.36 0.00 -1.26 -4.89 105.19 105.33 1uw9 n GLY 61 Ca -0.04 -1.33 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 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 6.51 -0.86 1.61 7.64 -1.26 -4.37 113.62 122.89 1uw9 n SER 62 Ca 0.00 -2.87 0.05 0.00 1.01 0.00 0.00 58.87 57.06 1uw9 n SER 62 Cb 0.00 -1.35 0.13 0.00 -1.01 0.00 0.00 64.21 61.97 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 1.86 1.29 1.08 0.44 0.24 -1.26 -4.80 118.33 117.17 1uw9 n VAL 63 Ca 0.52 -2.19 0.14 0.00 -2.04 0.00 0.00 64.34 60.77 1uw9 n VAL 63 Cb 0.60 0.23 0.62 0.00 -1.47 0.00 0.00 33.84 33.82 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 -0.52 0.04 -4.70 -1.34 3.41 -1.26 -4.77 113.62 104.48 1uw9 n SER 64 Ca 0.13 0.32 -0.57 0.00 -0.26 0.00 0.00 58.87 58.49 1uw9 n SER 64 Cb 0.84 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 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 5.65 -1.67 -4.62 0.00 4.77 -1.26 -4.99 117.00 114.89 1uw9 n LEU 66 Ca 0.28 0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 56.12 1uw9 n LEU 66 Cb 0.13 -2.80 -0.10 0.00 -2.33 0.00 0.00 43.42 38.32 1uw9 n LEU 66 CO 0.81 -0.58 -0.22 -0.47 -1.33 0.00 0.00 177.39 175.60 1uw9 s TYR 67 N -2.85 3.26 -0.03 -1.77 5.04 0.47 -5.09 117.35 116.37 1uw9 s TYR 67 Ca 0.00 0.07 -0.04 0.00 -2.44 0.00 0.00 57.07 54.66 1uw9 s TYR 67 Cb 0.00 -2.20 0.01 0.00 0.35 0.00 0.00 41.96 40.12 1uw9 s TYR 67 CO 0.00 0.03 0.11 0.71 -1.34 0.00 0.00 175.55 175.07 1uw9 s TYR 68 N 0.90 -0.08 0.62 4.97 2.02 -1.26 -4.96 117.35 119.55 1uw9 s TYR 68 Ca 0.06 0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.82 1uw9 s TYR 68 Cb -0.13 0.01 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 1uw9 s TYR 68 CO 0.03 -0.11 1.03 -0.51 -1.57 0.00 0.00 175.55 174.42 1uw9 s ASP 69 N -0.27 6.05 -0.35 2.29 1.01 0.15 -4.29 116.67 121.25 1uw9 s ASP 69 Ca -0.03 1.54 0.00 0.00 0.71 0.00 0.00 52.55 54.77 1uw9 s ASP 69 Cb -0.03 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1uw9 s ASP 69 CO 0.00 -0.99 0.00 0.59 0.21 0.00 0.00 175.17 174.98 1uw9 n ASN 70 N -2.54 -3.84 -0.03 0.27 3.02 -1.26 -1.65 115.26 109.24 1uw9 n ASN 70 Ca 0.07 0.08 -0.15 0.00 -0.03 0.00 0.00 54.58 54.55 1uw9 n ASN 70 Cb 0.54 -1.63 -0.11 0.00 -0.61 0.00 0.00 39.78 37.97 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 0.34 0.18 -6.66 3.52 3.08 -1.90 -3.41 114.38 109.53 1uw9 h ARG 71 Ca -0.07 -0.18 -0.52 0.00 0.07 0.00 0.00 59.98 59.28 1uw9 h ARG 71 Cb 0.36 0.05 0.03 0.00 0.08 0.00 0.00 29.97 30.49 1uw9 h ARG 71 CO 0.10 0.90 0.67 0.71 -1.07 0.00 0.00 179.97 181.28 1uw9 s TYR 72 N -3.21 3.23 0.29 3.04 2.02 -1.26 -5.04 117.35 116.42 1uw9 s TYR 72 Ca -0.16 1.16 0.02 0.00 -0.37 0.00 0.00 57.07 57.73 1uw9 s TYR 72 Cb 0.01 -3.63 0.02 0.00 -0.40 0.00 0.00 41.96 37.96 1uw9 s TYR 72 CO 0.74 -2.03 0.20 0.91 -1.57 0.00 0.00 175.55 173.80 1uw9 n TRP 73 N 2.83 -0.89 -3.33 2.71 7.02 -1.26 -5.05 117.44 119.47 1uw9 n TRP 73 Ca 0.07 -1.25 -0.38 0.00 -1.02 0.00 0.00 57.50 54.92 1uw9 n TRP 73 Cb 0.42 -0.23 -0.06 0.00 -2.42 0.00 0.00 31.31 29.02 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 -1.49 5.14 0.08 -0.99 2.01 0.06 -4.87 115.64 115.59 1uw9 s THR 74 Ca 0.15 0.96 -0.31 0.00 0.31 0.00 0.00 61.69 62.80 1uw9 s THR 74 Cb -0.01 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 1uw9 s THR 74 CO 0.10 0.37 1.36 -0.32 -0.69 0.00 0.00 174.62 175.43 1uw9 s MET 75 N 0.32 4.33 -0.41 4.92 1.75 -1.26 -0.76 119.30 128.19 1uw9 s MET 75 Ca 0.26 2.00 -0.27 0.00 -1.25 0.00 0.00 55.69 56.43 1uw9 s MET 75 Cb -0.16 -3.33 0.02 0.00 2.84 0.00 0.00 34.83 34.21 1uw9 s MET 75 CO 0.11 -0.43 1.01 -0.46 -0.65 0.00 0.00 175.02 174.60 1uw9 s TRP 76 N 1.34 2.98 0.00 4.11 -0.11 0.05 -4.89 118.94 122.42 1uw9 s TRP 76 Ca 0.63 0.73 0.00 0.00 1.22 0.00 0.00 56.10 58.68 1uw9 s TRP 76 Cb -0.34 -3.96 0.00 0.00 -1.50 0.00 0.00 33.47 27.67 1uw9 s TRP 76 CO 0.29 -1.01 0.00 1.63 -4.62 0.00 0.00 176.95 173.24 1uw9 n LYS 77 N 7.19 0.00 -4.28 5.86 5.02 -1.26 -4.47 118.16 126.21 1uw9 n LYS 77 Ca 0.09 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.23 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 2.50 0.43 -0.35 1.43 -1.26 -5.09 118.68 116.33 1uw9 s LEU 78 Ca 0.00 -1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 51.81 1uw9 s LEU 78 Cb 0.00 -0.41 -0.10 0.00 0.03 0.00 0.00 46.19 45.71 1uw9 s LEU 78 CO 0.00 -0.32 1.26 -2.65 0.23 0.00 0.00 176.35 174.87 1uw9 n PRO 79 N -0.27 1.88 -2.05 1.29 -0.02 -1.26 -4.81 135.00 129.76 1uw9 n PRO 79 Ca -0.09 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 1uw9 n PRO 79 Cb 0.61 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 0.00 3.46 -1.73 -0.52 2.81 0.85 -4.96 117.12 117.03 1uw9 n MET 80 Ca 0.07 -3.15 -0.42 0.00 -1.81 0.00 0.00 57.70 52.39 1uw9 n MET 80 Cb 0.40 -3.01 -0.02 0.00 -0.71 0.00 0.00 33.22 29.88 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 4.38 2.78 -0.60 2.03 3.72 -1.26 -1.91 117.46 126.59 1uw9 n PHE 81 Ca 0.48 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 58.08 1uw9 n PHE 81 Cb 0.35 -2.61 0.00 0.00 -0.94 0.00 0.00 39.48 36.28 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 2.71 1.72 3.69 1.37 0.00 -1.26 -5.00 105.19 108.42 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 5.26 1.36 -4.00 0.00 1.74 -1.26 -4.94 116.66 114.82 1uw9 n ARG 84 Ca 0.15 -1.55 -0.31 0.00 -0.77 0.00 0.00 57.85 55.37 1uw9 n ARG 84 Cb 0.41 -0.97 -0.15 0.00 -1.02 0.00 0.00 32.46 30.73 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 -1.39 4.32 0.40 0.55 2.15 -1.26 -4.99 116.67 116.46 1uw9 s ASP 85 Ca 0.10 -1.51 0.10 0.00 0.43 0.00 0.00 52.55 51.67 1uw9 s ASP 85 Cb 0.09 -1.42 0.90 0.00 -0.30 0.00 0.00 42.92 42.18 1uw9 s ASP 85 CO 0.01 -0.25 1.97 -0.65 -0.17 0.00 0.00 175.17 176.08 1uw9 h PRO 86 N 7.81 0.54 -0.32 4.34 0.11 -1.94 -1.72 132.00 140.82 1uw9 h PRO 86 Ca -0.15 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.90 1uw9 h PRO 86 Cb 1.04 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1uw9 h PRO 86 CO 0.46 0.36 0.07 0.52 -0.21 0.00 0.00 178.00 179.20 1uw9 h MET 87 N 0.56 0.46 -0.55 1.05 2.86 -1.99 -1.55 114.93 115.76 1uw9 h MET 87 Ca 0.29 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1uw9 h MET 87 Cb 0.39 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1uw9 h MET 87 CO -0.09 0.43 0.23 0.37 1.06 0.00 0.00 176.91 178.92 1uw9 h GLN 88 N 0.45 0.81 -0.32 1.72 4.15 -1.74 -0.54 115.11 119.65 1uw9 h GLN 88 Ca 0.11 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1uw9 h GLN 88 Cb 0.19 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1uw9 h GLN 88 CO -0.00 0.69 0.17 0.28 -1.93 0.00 0.00 178.83 178.04 1uw9 h VAL 89 N 0.75 1.15 -0.86 2.39 2.07 -1.37 -1.95 116.25 118.43 1uw9 h VAL 89 Ca 0.19 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1uw9 h VAL 89 Cb 0.17 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1uw9 h VAL 89 CO -0.02 0.15 0.47 -0.07 0.02 0.00 0.00 177.57 178.13 1uw9 h LEU 90 N 0.39 1.07 -1.08 2.57 3.38 -1.12 -0.82 115.31 119.71 1uw9 h LEU 90 Ca 0.11 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1uw9 h LEU 90 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1uw9 h LEU 90 CO -0.02 0.86 0.09 0.03 0.09 0.00 0.00 178.44 179.50 1uw9 h ARG 91 N 1.20 0.75 -0.23 1.13 3.08 -1.00 -2.21 114.38 117.09 1uw9 h ARG 91 Ca 0.30 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 60.06 1uw9 h ARG 91 Cb 0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1uw9 h ARG 91 CO -0.05 0.70 -0.41 0.93 -1.07 0.00 0.00 179.97 180.07 1uw9 h GLU 92 N 0.72 0.56 -0.46 0.04 4.39 -0.52 -1.06 114.58 118.25 1uw9 h GLU 92 Ca 0.16 -0.29 0.04 0.00 0.34 0.00 0.00 59.36 59.61 1uw9 h GLU 92 Cb 0.31 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1uw9 h GLU 92 CO 0.00 0.87 0.23 0.82 -1.16 0.00 0.00 179.01 179.78 1uw9 h ILE 93 N 0.46 0.97 -0.23 3.13 2.04 -0.91 0.11 117.51 123.08 1uw9 h ILE 93 Ca 0.04 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1uw9 h ILE 93 Cb 0.91 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1uw9 h ILE 93 CO 0.08 0.08 0.14 0.58 0.00 0.00 0.00 178.15 179.04 1uw9 h VAL 94 N 0.46 1.04 -0.59 1.67 2.07 -1.16 -1.66 116.25 118.08 1uw9 h VAL 94 Ca 0.20 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1uw9 h VAL 94 Cb 0.10 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1uw9 h VAL 94 CO -0.14 0.05 0.21 0.00 0.02 0.00 0.00 177.57 177.72 1uw9 h ALA 95 N 1.09 0.77 0.25 1.67 0.00 -0.87 -1.31 119.26 120.86 1uw9 h ALA 95 Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1uw9 h ALA 95 Cb -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1uw9 h ALA 95 CO -0.03 0.41 -0.12 0.00 0.00 0.00 0.00 179.25 179.51 1uw9 h THR 97 N -0.44 1.02 -0.30 0.00 1.35 -1.30 -0.72 112.91 112.52 1uw9 h THR 97 Ca -0.03 -0.77 -0.08 0.00 -0.55 0.00 0.00 66.41 64.97 1uw9 h THR 97 Cb 0.34 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1uw9 h THR 97 CO 0.06 0.21 -0.14 0.50 -0.25 0.00 0.00 175.52 175.90 1uw9 h LYS 98 N 0.00 0.62 -0.12 4.72 3.64 -1.12 -2.07 116.57 122.23 1uw9 h LYS 98 Ca -0.00 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 58.98 1uw9 h LYS 98 Cb 0.41 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1uw9 h LYS 98 CO 0.03 0.85 -0.51 0.00 -2.27 0.00 0.00 179.45 177.55 1uw9 h ALA 99 N 0.76 0.91 -2.30 5.00 0.00 -0.96 -3.35 119.26 119.32 1uw9 h ALA 99 Ca 0.07 -0.48 -0.59 0.00 0.00 0.00 0.00 54.91 53.90 1uw9 h ALA 99 Cb 0.66 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.95 1uw9 h ALA 99 CO 0.04 0.67 -0.77 1.19 0.00 0.00 0.00 179.25 180.38 1uw9 n PHE 100 N -3.96 2.04 0.29 0.00 3.01 -0.31 -4.95 117.46 113.58 1uw9 n PHE 100 Ca -0.02 -3.94 0.18 0.00 1.01 0.00 0.00 57.45 54.68 1uw9 n PHE 100 Cb 0.56 -0.43 0.82 0.00 -0.01 0.00 0.00 39.48 40.42 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 4.47 0.00 -0.42 -1.08 0.13 -1.52 -2.89 132.00 130.69 1uw9 h PRO 101 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1uw9 h PRO 101 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1uw9 h PRO 101 CO 0.67 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 1uw9 n ASP 102 N -3.15 3.30 -4.94 1.44 8.00 -1.26 -4.72 116.55 115.21 1uw9 n ASP 102 Ca -0.01 -1.94 -0.24 0.00 0.71 0.00 0.00 54.79 53.32 1uw9 n ASP 102 Cb 0.24 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 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 3.76 0.20 2.24 0.00 -1.09 -4.40 121.76 121.26 1uw9 s ALA 103 Ca 0.35 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 1uw9 s ALA 103 Cb 0.19 -2.03 -0.08 0.00 0.00 0.00 0.00 23.12 21.21 1uw9 s ALA 103 CO 0.26 0.10 1.01 0.71 0.00 0.00 0.00 175.76 177.84 1uw9 s TYR 104 N -2.18 3.78 -0.04 0.00 1.51 0.48 -3.82 117.35 117.09 1uw9 s TYR 104 Ca 0.39 1.78 0.02 0.00 -1.01 0.00 0.00 57.07 58.24 1uw9 s TYR 104 Cb -0.10 -3.12 0.02 0.00 -0.11 0.00 0.00 41.96 38.65 1uw9 s TYR 104 CO 0.33 -0.03 -0.07 0.08 -1.11 0.00 0.00 175.55 174.76 1uw9 s VAL 105 N -0.66 0.66 0.05 0.71 1.01 -0.28 -1.38 120.40 120.50 1uw9 s VAL 105 Ca 0.45 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.28 1uw9 s VAL 105 Cb -0.27 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1uw9 s VAL 105 CO 0.34 0.24 -0.21 0.00 0.00 0.00 0.00 175.10 175.47 1uw9 s ARG 106 N 0.66 1.38 -0.19 2.72 1.70 -0.04 -0.32 118.95 124.86 1uw9 s ARG 106 Ca -0.10 -0.97 -0.12 0.00 -0.47 0.00 0.00 55.73 54.07 1uw9 s ARG 106 Cb -0.13 -1.51 -0.05 0.00 -0.57 0.00 0.00 34.95 32.69 1uw9 s ARG 106 CO 0.01 0.38 0.20 -1.17 -1.08 0.00 0.00 175.30 173.64 1uw9 s LEU 107 N -1.26 4.21 0.31 -1.89 2.96 -0.40 -1.67 118.68 120.94 1uw9 s LEU 107 Ca 0.07 0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 1uw9 s LEU 107 Cb -0.09 -2.21 -0.06 0.00 0.50 0.00 0.00 46.19 44.33 1uw9 s LEU 107 CO 0.02 0.13 0.01 0.68 -1.32 0.00 0.00 176.35 175.87 1uw9 s VAL 108 N 0.51 1.40 -0.02 1.68 -7.23 -0.02 -1.73 120.40 114.99 1uw9 s VAL 108 Ca 0.11 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1uw9 s VAL 108 Cb -0.12 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1uw9 s VAL 108 CO 0.01 -0.12 0.06 0.00 -0.31 0.00 0.00 175.10 174.74 1uw9 s ALA 109 N -3.16 -0.15 -0.03 1.32 0.00 -0.96 -1.04 121.76 117.74 1uw9 s ALA 109 Ca 0.33 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.35 1uw9 s ALA 109 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1uw9 s ALA 109 CO 0.14 -0.07 -0.02 -0.06 0.00 0.00 0.00 175.76 175.75 1uw9 s PHE 110 N -0.34 3.04 -0.25 0.00 0.08 0.58 -0.33 117.98 120.76 1uw9 s PHE 110 Ca -0.04 0.08 -0.08 0.00 0.12 0.00 0.00 56.93 57.01 1uw9 s PHE 110 Cb -0.03 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 1uw9 s PHE 110 CO 0.00 0.43 0.08 0.34 -0.10 0.00 0.00 175.22 175.97 1uw9 s ASP 111 N -1.27 5.21 0.04 1.36 -1.08 -0.33 -0.83 116.67 119.77 1uw9 s ASP 111 Ca 0.17 -0.18 0.27 0.00 -0.52 0.00 0.00 52.55 52.28 1uw9 s ASP 111 Cb -0.11 -1.94 0.90 0.00 -1.46 0.00 0.00 42.92 40.30 1uw9 s ASP 111 CO 0.07 -0.03 1.71 -0.46 0.52 0.00 0.00 175.17 176.98 1uw9 n ASN 112 N 4.89 0.31 -0.06 -0.34 6.94 -1.26 -0.95 115.26 124.79 1uw9 n ASN 112 Ca -0.16 0.27 -0.15 0.00 -0.02 0.00 0.00 54.58 54.52 1uw9 n ASN 112 Cb 0.51 -0.27 -0.13 0.00 -2.36 0.00 0.00 39.78 37.53 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 0.04 0.00 -3.83 1.08 -1.95 -3.27 115.11 107.18 1uw9 h GLN 113 Ca 0.00 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1uw9 h GLN 113 Cb 0.55 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1uw9 h GLN 113 CO 0.00 1.03 0.00 0.87 -0.95 0.00 0.00 178.83 179.78 1uw9 h LYS 114 N -0.92 0.00 -6.33 1.46 1.57 -2.01 -3.48 116.57 106.85 1uw9 h LYS 114 Ca -0.03 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.36 1uw9 h LYS 114 Cb 1.09 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.43 1uw9 h LYS 114 CO 0.01 0.00 -0.83 0.94 -0.57 0.00 0.00 179.45 179.01 1uw9 n GLN 115 N -2.56 -1.22 -3.56 3.15 7.27 -0.13 -5.02 117.38 115.32 1uw9 n GLN 115 Ca 0.05 0.71 -0.17 0.00 0.07 0.00 0.00 57.00 57.65 1uw9 n GLN 115 Cb 0.44 -3.60 -0.06 0.00 2.41 0.00 0.00 30.24 29.43 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 -3.22 0.01 0.20 1.69 0.11 -0.87 -5.02 120.40 113.30 1uw9 s VAL 116 Ca 0.23 -0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 58.89 1uw9 s VAL 116 Cb -0.09 -0.94 -0.10 0.00 -1.53 0.00 0.00 36.38 33.72 1uw9 s VAL 116 CO 0.87 -0.04 1.56 -1.58 -3.33 0.00 0.00 175.10 172.58 1uw9 s GLN 117 N -1.21 4.20 -0.01 1.54 0.74 -1.26 -1.19 119.66 122.48 1uw9 s GLN 117 Ca -0.11 2.40 0.10 0.00 0.05 0.00 0.00 55.36 57.80 1uw9 s GLN 117 Cb -0.01 -3.12 -0.13 0.00 1.10 0.00 0.00 33.01 30.86 1uw9 s GLN 117 CO 0.09 -0.59 0.34 1.51 -0.55 0.00 0.00 175.29 176.09 1uw9 n ILE 118 N 3.44 0.00 -3.80 -2.34 0.13 0.55 -4.89 119.36 112.45 1uw9 n ILE 118 Ca 0.12 -0.25 -0.08 0.00 -1.10 0.00 0.00 62.75 61.43 1uw9 n ILE 118 Cb 0.38 0.71 -0.02 0.00 -0.84 0.00 0.00 39.64 39.87 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 -2.22 1.66 0.00 9.51 0.23 -1.20 -4.99 119.30 122.28 1uw9 s MET 119 Ca 0.01 -0.93 0.00 0.00 -1.03 0.00 0.00 55.69 53.74 1uw9 s MET 119 Cb 0.07 0.59 0.00 0.00 -1.53 0.00 0.00 34.83 33.96 1uw9 s MET 119 CO 0.41 -0.75 0.00 0.41 -2.03 0.00 0.00 175.02 173.06 1uw9 n GLY 120 N -0.43 1.92 3.51 3.16 0.00 -1.26 -2.26 105.19 109.83 1uw9 n GLY 120 Ca -0.06 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.31 -0.49 0.16 1.61 -0.71 -0.70 -4.40 117.98 112.14 1uw9 s PHE 121 Ca 0.00 0.63 -0.31 0.00 -1.04 0.00 0.00 56.93 56.21 1uw9 s PHE 121 Cb 0.00 0.48 -0.09 0.00 -1.21 0.00 0.00 43.02 42.20 1uw9 s PHE 121 CO 0.00 -0.57 1.45 -1.17 -1.34 0.00 0.00 175.22 173.59 1uw9 s LEU 122 N -1.77 4.38 -0.01 -1.99 2.96 -1.26 -1.28 118.68 119.71 1uw9 s LEU 122 Ca -0.03 2.48 0.10 0.00 -0.22 0.00 0.00 54.13 56.47 1uw9 s LEU 122 Cb -0.01 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 42.95 1uw9 s LEU 122 CO -0.01 -0.71 0.28 1.33 -1.32 0.00 0.00 176.35 175.92 1uw9 n VAL 123 N 3.60 0.00 -3.75 1.68 0.24 0.57 -4.88 118.33 115.78 1uw9 n VAL 123 Ca 0.11 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 1uw9 n VAL 123 Cb 0.41 0.50 -0.12 0.00 -1.47 0.00 0.00 33.84 33.16 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 -2.46 0.31 0.07 7.34 0.74 -0.69 -4.96 119.66 120.01 1uw9 s GLN 124 Ca -0.01 0.48 0.09 0.00 0.05 0.00 0.00 55.36 55.96 1uw9 s GLN 124 Cb 0.07 0.08 -0.03 0.00 1.10 0.00 0.00 33.01 34.22 1uw9 s GLN 124 CO 0.41 -0.08 -0.24 -0.98 -0.55 0.00 0.00 175.29 173.85 1uw9 s ARG 125 N 0.55 1.48 0.40 1.67 1.70 -1.26 -1.13 118.95 122.37 1uw9 s ARG 125 Ca -0.03 -1.11 -0.26 0.00 -0.47 0.00 0.00 55.73 53.86 1uw9 s ARG 125 Cb -0.05 -1.71 -0.11 0.00 -0.57 0.00 0.00 34.95 32.51 1uw9 s ARG 125 CO -0.03 0.43 1.21 -0.35 -1.08 0.00 0.00 175.30 175.47 1uw9 n PRO 126 N 1.52 1.81 0.12 3.89 -0.04 -1.25 -4.87 135.00 136.18 1uw9 n PRO 126 Ca -0.18 0.64 0.11 0.00 -0.04 0.00 0.00 63.50 64.04 1uw9 n PRO 126 Cb 0.53 -2.27 0.47 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.17 0.17 0.05 0.54 2.85 -1.26 -1.99 118.16 118.68 1uw9 n LYS 127 Ca 0.07 0.41 0.13 0.00 -1.05 0.00 0.00 58.31 57.87 1uw9 n LYS 127 Cb 0.39 -1.83 0.51 0.00 -0.65 0.00 0.00 35.03 33.44 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 -2.15 0.33 -4.72 -5.58 3.41 -1.26 -4.86 113.62 98.79 1uw9 n SER 128 Ca 0.02 0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 58.75 1uw9 n SER 128 Cb 0.21 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 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 -3.06 3.73 -0.04 7.33 0.00 -0.84 -4.89 121.76 124.00 1uw9 s ALA 129 Ca 0.12 1.31 0.07 0.00 0.00 0.00 0.00 51.96 53.45 1uw9 s ALA 129 Cb 0.15 -3.60 0.11 0.00 0.00 0.00 0.00 23.12 19.78 1uw9 s ALA 129 CO 0.52 -0.74 1.05 2.89 0.00 0.00 0.00 175.76 179.48 1uw9 n ARG 130 N 3.96 0.34 -0.83 0.00 1.85 -1.26 -4.81 116.66 115.91 1uw9 n ARG 130 Ca 0.13 -1.50 0.07 0.00 -1.00 0.00 0.00 57.85 55.55 1uw9 n ARG 130 Cb 0.39 -0.73 0.38 0.00 -1.05 0.00 0.00 32.46 31.45 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 -0.34 5.42 -4.09 2.89 3.85 -1.26 -4.78 116.55 118.24 1uw9 n ASP 131 Ca 0.05 -2.84 -0.08 0.00 -0.71 0.00 0.00 54.79 51.21 1uw9 n ASP 131 Cb 0.71 -0.67 -0.10 0.00 -1.35 0.00 0.00 41.12 39.72 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 -2.59 0.55 0.10 2.11 1.48 -1.02 -0.93 118.94 118.64 1uw9 s TRP 132 Ca 0.52 -0.99 0.08 0.00 -1.06 0.00 0.00 56.10 54.65 1uw9 s TRP 132 Cb 0.39 -0.39 -0.04 0.00 -1.16 0.00 0.00 33.47 32.27 1uw9 s TRP 132 CO 0.16 -0.33 -0.17 -0.65 -4.06 0.00 0.00 176.95 171.91 1uw9 s GLN 133 N -3.66 1.89 0.72 3.25 -1.52 -1.22 -4.84 119.66 114.28 1uw9 s GLN 133 Ca 0.05 -1.12 -0.14 0.00 -1.95 0.00 0.00 55.36 52.20 1uw9 s GLN 133 Cb 0.06 -2.16 0.03 0.00 -0.22 0.00 0.00 33.01 30.72 1uw9 s GLN 133 CO -0.08 0.49 1.16 -1.25 -0.25 0.00 0.00 175.29 175.36 1uw9 s PRO 134 N -2.05 2.31 0.27 2.91 0.04 -1.26 -4.87 135.00 132.35 1uw9 s PRO 134 Ca 0.18 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 1uw9 s PRO 134 Cb -0.11 -1.87 0.59 0.00 0.04 0.00 0.00 34.50 33.15 1uw9 s PRO 134 CO 0.10 -1.66 1.67 0.00 0.04 0.00 0.00 177.00 177.15 1uw9 h ALA 135 N -0.34 1.14 -0.00 8.56 0.00 -1.98 -0.94 119.26 125.69 1uw9 h ALA 135 Ca -0.47 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1uw9 h ALA 135 Cb 1.27 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1uw9 h ALA 135 CO 0.51 -0.38 0.00 0.27 0.00 0.00 0.00 179.25 179.65 1uw9 n ASN 136 N -5.17 0.24 -0.38 0.00 6.94 -1.26 -3.02 115.26 112.60 1uw9 n ASN 136 Ca 0.18 -1.12 0.03 0.00 -0.02 0.00 0.00 54.58 53.65 1uw9 n ASN 136 Cb 0.57 -0.00 0.09 0.00 -2.36 0.00 0.00 39.78 38.07 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 -0.79 2.64 0.20 -3.83 4.76 -0.37 -4.62 118.16 116.14 1uw9 n LYS 137 Ca 0.22 -1.75 0.07 0.00 -2.87 0.00 0.00 58.31 53.98 1uw9 n LYS 137 Cb 0.14 -1.16 0.37 0.00 -1.84 0.00 0.00 35.03 32.54 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 1.25 0.00 -5.39 1.97 3.08 -1.44 -3.44 114.38 110.41 1uw9 h ARG 138 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.64 1uw9 h ARG 138 Cb 0.61 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.46 1uw9 h ARG 138 CO 0.00 0.33 -0.77 -1.54 -1.07 0.00 0.00 179.97 176.92 1uw9 s SER 139 N -6.37 1.87 0.00 7.04 1.04 -1.26 -1.01 113.70 115.01 1uw9 s SER 139 Ca 0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1uw9 s SER 139 Cb 0.11 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1uw9 s SER 139 CO 0.67 -0.13 0.18 1.33 0.98 0.00 0.00 173.24 176.27