#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwa s MET 2 N 0.00 3.28 -0.23 0.03 1.00 -1.26 -5.02 119.30 117.10 1uwa s MET 2 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 55.69 55.20 1uwa s MET 2 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 34.83 31.82 1uwa s MET 2 CO 0.00 0.64 0.04 0.08 0.00 0.00 0.00 175.02 175.78 1uwa s VAL 3 N -1.34 4.14 -0.02 -6.03 1.01 -1.26 -4.86 120.40 112.04 1uwa s VAL 3 Ca 0.28 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1uwa s VAL 3 Cb -0.12 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1uwa s VAL 3 CO 0.20 0.38 1.46 0.86 0.00 0.00 0.00 175.10 178.00 1uwa s TRP 4 N 1.32 2.63 0.09 5.22 -0.11 -1.26 -1.05 118.94 125.77 1uwa s TRP 4 Ca 0.05 0.66 -0.30 0.00 1.22 0.00 0.00 56.10 57.73 1uwa s TRP 4 Cb -0.15 -3.73 -0.05 0.00 -1.50 0.00 0.00 33.47 28.05 1uwa s TRP 4 CO 0.02 -2.79 0.95 -0.08 -4.62 0.00 0.00 176.95 170.44 1uwa s THR 5 N 2.89 4.58 -1.35 5.86 -1.32 -0.20 -4.93 115.64 121.17 1uwa s THR 5 Ca 0.66 2.04 0.27 0.00 -1.21 0.00 0.00 61.69 63.45 1uwa s THR 5 Cb -0.31 -4.31 0.26 0.00 -1.51 0.00 0.00 72.50 66.62 1uwa s THR 5 CO 0.26 0.29 1.71 -0.81 -2.21 0.00 0.00 174.62 173.86 1uwa n PRO 6 N 2.98 0.37 -3.65 7.08 -0.04 -1.26 -4.71 135.00 135.77 1uwa n PRO 6 Ca 0.03 -0.15 -0.36 0.00 -0.04 0.00 0.00 63.50 62.97 1uwa n PRO 6 Cb 0.50 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 1uwa n PRO 6 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uwa s VAL 7 N -2.73 5.36 -1.52 0.52 1.01 -1.26 -4.47 120.40 117.31 1uwa s VAL 7 Ca 0.20 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 1uwa s VAL 7 Cb 0.19 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 33.09 1uwa s VAL 7 CO 0.56 0.38 0.41 0.59 0.00 0.00 0.00 175.10 177.04 1uwa n ASN 8 N 3.93 -0.73 -2.27 3.32 5.03 -1.26 -4.87 115.26 118.40 1uwa n ASN 8 Ca -0.14 -1.08 -0.17 0.00 0.87 0.00 0.00 54.58 54.06 1uwa n ASN 8 Cb 0.52 -2.60 0.03 0.00 -1.02 0.00 0.00 39.78 36.70 1uwa n ASN 8 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1uwa n ASN 9 N -2.87 3.93 -4.77 6.41 4.05 -1.15 -2.04 115.26 118.83 1uwa n ASN 9 Ca -0.21 -3.24 -0.36 0.00 0.45 0.00 0.00 54.58 51.22 1uwa n ASN 9 Cb 0.64 -0.38 0.01 0.00 1.23 0.00 0.00 39.78 41.28 1uwa n ASN 9 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1uwa s LYS 10 N -3.66 3.24 0.43 1.20 1.02 -0.44 -4.85 119.74 116.68 1uwa s LYS 10 Ca 0.44 1.73 0.04 0.00 0.02 0.00 0.00 55.97 58.19 1uwa s LYS 10 Cb 0.38 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 1uwa s LYS 10 CO 0.01 -0.97 0.04 -1.64 -0.92 0.00 0.00 175.35 171.88 1uwa s MET 11 N -3.23 1.98 -0.31 1.68 -1.94 -1.26 -4.65 119.30 111.56 1uwa s MET 11 Ca 0.74 -2.19 0.19 0.00 -1.71 0.00 0.00 55.69 52.71 1uwa s MET 11 Cb -0.27 -1.23 0.47 0.00 2.01 0.00 0.00 34.83 35.80 1uwa s MET 11 CO 0.31 -0.28 0.99 1.19 -0.01 0.00 0.00 175.02 177.22 1uwa n PHE 12 N -1.01 1.25 -4.98 -0.03 3.01 -1.26 -5.12 117.46 109.32 1uwa n PHE 12 Ca -0.10 -2.65 0.00 0.00 1.01 0.00 0.00 57.45 55.72 1uwa n PHE 12 Cb 0.66 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1uwa n PHE 12 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1uwa n GLU 13 N -0.20 0.00 -1.68 -1.08 -0.58 -1.26 -4.61 120.64 111.23 1uwa n GLU 13 Ca 0.10 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.37 1uwa n GLU 13 Cb 0.81 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.64 1uwa n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1uwa n THR 14 N 0.00 0.28 -0.63 2.62 -1.04 -1.26 -1.73 114.28 112.52 1uwa n THR 14 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1uwa n THR 14 Cb 0.00 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 1uwa n THR 14 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1uwa n PHE 15 N 5.01 0.00 0.70 -1.42 0.99 -1.26 -4.58 117.46 116.89 1uwa n PHE 15 Ca 0.19 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.73 1uwa n PHE 15 Cb 0.30 0.00 0.41 0.00 -1.00 0.00 0.00 39.48 39.20 1uwa n PHE 15 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1uwa n SER 16 N 0.00 0.00 -0.82 4.37 3.41 -0.71 -2.17 113.62 117.70 1uwa n SER 16 Ca 0.00 0.40 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 1uwa n SER 16 Cb 0.00 -0.46 0.28 0.00 -0.26 0.00 0.00 64.21 63.78 1uwa n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1uwa n TYR 17 N -1.46 0.18 -3.11 7.33 4.02 -1.26 -4.87 117.16 118.00 1uwa n TYR 17 Ca 0.05 -0.09 -0.18 0.00 -0.01 0.00 0.00 57.90 57.67 1uwa n TYR 17 Cb 0.20 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.53 1uwa n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1uwa s LEU 18 N -1.77 3.56 0.61 7.72 1.43 -0.92 -5.09 118.68 124.23 1uwa s LEU 18 Ca 0.34 -0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 1uwa s LEU 18 Cb 0.20 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1uwa s LEU 18 CO 0.30 -0.79 1.22 -2.65 0.23 0.00 0.00 176.35 174.67 1uwa n PRO 19 N -1.83 1.20 -1.64 1.29 -0.02 -1.26 -4.89 135.00 127.85 1uwa n PRO 19 Ca 0.08 0.46 -0.44 0.00 -2.02 0.00 0.00 63.50 61.58 1uwa n PRO 19 Cb 0.60 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1uwa n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1uwa n PRO 20 N -1.43 1.73 -2.02 0.52 -0.02 -1.26 -4.86 135.00 127.65 1uwa n PRO 20 Ca 0.14 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1uwa n PRO 20 Cb 0.47 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1uwa n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uwa s LEU 21 N -0.19 4.37 0.88 2.45 1.43 -1.26 -5.01 118.68 121.34 1uwa s LEU 21 Ca 0.58 2.52 -0.12 0.00 -1.03 0.00 0.00 54.13 56.09 1uwa s LEU 21 Cb -0.65 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.10 1uwa s LEU 21 CO 0.60 -0.76 1.12 0.42 0.23 0.00 0.00 176.35 177.96 1uwa s THR 22 N 1.03 2.42 0.33 5.49 -4.23 -1.26 -4.83 115.64 114.59 1uwa s THR 22 Ca 0.67 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 61.33 1uwa s THR 22 Cb -0.41 -2.83 0.27 0.00 1.34 0.00 0.00 72.50 70.86 1uwa s THR 22 CO 0.32 -0.18 1.98 0.44 -0.54 0.00 0.00 174.62 176.64 1uwa h ASP 23 N -1.41 0.82 -0.04 3.99 3.32 -1.99 -0.43 116.42 120.68 1uwa h ASP 23 Ca -0.50 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.42 1uwa h ASP 23 Cb 1.31 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1uwa h ASP 23 CO 0.60 0.58 -0.32 -0.08 -1.72 0.00 0.00 179.24 178.30 1uwa h GLU 24 N 0.96 0.51 -0.25 3.56 4.81 -1.99 -1.13 114.58 121.07 1uwa h GLU 24 Ca 0.28 -0.22 -0.18 0.00 -0.13 0.00 0.00 59.36 59.10 1uwa h GLU 24 Cb -0.05 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1uwa h GLU 24 CO -0.07 0.77 -0.58 1.96 -0.73 0.00 0.00 179.01 180.37 1uwa h GLN 25 N 0.44 0.78 -0.01 1.92 4.20 -1.73 -1.82 115.11 118.89 1uwa h GLN 25 Ca 0.05 -0.51 -0.00 0.00 0.06 0.00 0.00 58.65 58.25 1uwa h GLN 25 Cb 0.78 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1uwa h GLN 25 CO 0.06 1.14 0.00 0.82 -0.67 0.00 0.00 178.83 180.18 1uwa h ILE 26 N 0.59 1.15 -0.86 2.54 2.04 -0.99 -2.08 117.51 119.89 1uwa h ILE 26 Ca 0.01 -0.43 0.13 0.00 1.00 0.00 0.00 64.86 65.57 1uwa h ILE 26 Cb 1.17 1.42 -0.09 0.00 -0.74 0.00 0.00 36.82 38.58 1uwa h ILE 26 CO 0.12 0.11 0.47 0.00 0.00 0.00 0.00 178.15 178.85 1uwa h ALA 27 N 0.82 1.28 -0.78 1.87 0.00 -1.22 0.04 119.26 121.28 1uwa h ALA 27 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1uwa h ALA 27 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1uwa h ALA 27 CO -0.00 -0.02 0.40 0.00 0.00 0.00 0.00 179.25 179.64 1uwa h ALA 28 N 1.53 1.00 -0.74 0.00 0.00 -1.15 0.08 119.26 119.98 1uwa h ALA 28 Ca 0.45 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1uwa h ALA 28 Cb 0.58 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1uwa h ALA 28 CO -0.33 0.53 0.26 1.96 0.00 0.00 0.00 179.25 181.67 1uwa h GLN 29 N 1.08 1.12 -0.50 0.00 1.08 -0.51 -1.72 115.11 115.67 1uwa h GLN 29 Ca 0.27 -0.22 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 1uwa h GLN 29 Cb 0.07 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1uwa h GLN 29 CO -0.04 0.93 0.08 0.28 -0.95 0.00 0.00 178.83 179.14 1uwa h VAL 30 N 1.09 1.25 -0.95 -0.54 2.07 -0.68 -2.06 116.25 116.42 1uwa h VAL 30 Ca 0.24 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 66.92 1uwa h VAL 30 Cb 0.26 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1uwa h VAL 30 CO -0.01 0.33 0.62 0.44 0.02 0.00 0.00 177.57 178.96 1uwa h ASP 31 N 0.70 0.93 -0.68 0.57 3.32 -0.72 -1.72 116.42 118.82 1uwa h ASP 31 Ca 0.15 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1uwa h ASP 31 Cb 0.39 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1uwa h ASP 31 CO 0.01 0.57 0.34 0.22 -1.72 0.00 0.00 179.24 178.66 1uwa h TYR 32 N 1.04 0.98 -0.28 4.55 3.20 -0.77 0.11 116.97 125.79 1uwa h TYR 32 Ca 0.43 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.27 1uwa h TYR 32 Cb 0.29 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1uwa h TYR 32 CO -0.00 0.72 0.16 0.82 -1.64 0.00 0.00 178.16 178.22 1uwa h ILE 33 N 0.95 1.02 -0.31 1.81 2.04 -0.72 -2.64 117.51 119.65 1uwa h ILE 33 Ca 0.24 -0.11 -0.15 0.00 1.00 0.00 0.00 64.86 65.83 1uwa h ILE 33 Cb 0.10 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1uwa h ILE 33 CO -0.03 0.06 -0.39 0.58 0.00 0.00 0.00 178.15 178.37 1uwa h VAL 34 N 0.33 1.29 0.00 1.67 2.07 -1.06 -1.97 116.25 118.58 1uwa h VAL 34 Ca 0.11 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1uwa h VAL 34 Cb 0.01 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1uwa h VAL 34 CO -0.06 0.51 -0.03 0.00 0.02 0.00 0.00 177.57 178.01 1uwa h ALA 35 N 0.71 1.84 -0.01 1.67 0.00 -0.76 -2.17 119.26 120.54 1uwa h ALA 35 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uwa h ALA 35 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1uwa h ALA 35 CO 0.09 0.04 -0.31 0.09 0.00 0.00 0.00 179.25 179.16 1uwa n ASN 36 N -4.34 1.61 -0.58 0.00 3.02 -1.00 -4.97 115.26 109.00 1uwa n ASN 36 Ca -0.03 -1.27 -0.07 0.00 -0.03 0.00 0.00 54.58 53.18 1uwa n ASN 36 Cb 0.12 0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1uwa n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uwa n GLY 37 N 1.36 0.73 3.88 7.41 0.00 -0.82 -5.04 105.19 112.72 1uwa n GLY 37 Ca 0.12 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1uwa n GLY 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uwa s TRP 38 N -2.27 3.43 -0.40 1.61 0.51 -0.78 -4.98 118.94 116.05 1uwa s TRP 38 Ca 0.00 1.10 -0.17 0.00 -2.12 0.00 0.00 56.10 54.91 1uwa s TRP 38 Cb 0.00 -2.91 0.01 0.00 -0.81 0.00 0.00 33.47 29.77 1uwa s TRP 38 CO 0.00 -0.96 0.43 0.42 -0.51 0.00 0.00 176.95 176.32 1uwa s ILE 39 N -3.26 5.10 0.45 2.03 1.01 0.62 -4.74 121.20 122.42 1uwa s ILE 39 Ca 0.56 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.74 1uwa s ILE 39 Cb -0.11 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 1uwa s ILE 39 CO 0.52 -0.35 1.11 -2.84 0.00 0.00 0.00 174.94 173.38 1uwa s PRO 40 N 2.12 3.84 -0.08 2.79 0.02 -1.26 -0.31 135.00 142.12 1uwa s PRO 40 Ca 0.12 1.63 -0.25 0.00 0.02 0.00 0.00 61.00 62.52 1uwa s PRO 40 Cb -0.17 -2.36 0.06 0.00 0.02 0.00 0.00 34.50 32.05 1uwa s PRO 40 CO 0.13 -0.45 0.57 0.00 -0.33 0.00 0.00 177.00 176.92 1uwa s LEU 42 N -0.87 3.20 0.06 0.00 1.43 -1.26 -0.98 118.68 120.27 1uwa s LEU 42 Ca -0.09 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1uwa s LEU 42 Cb -0.02 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1uwa s LEU 42 CO 0.06 0.27 -0.10 -1.61 0.23 0.00 0.00 176.35 175.21 1uwa s GLU 43 N -1.54 0.67 0.10 1.70 2.02 -0.71 -0.96 118.70 119.99 1uwa s GLU 43 Ca 0.18 -0.91 -0.06 0.00 0.02 0.00 0.00 54.97 54.20 1uwa s GLU 43 Cb -0.11 -0.46 -0.02 0.00 0.10 0.00 0.00 34.13 33.64 1uwa s GLU 43 CO 0.09 0.08 0.15 -0.59 0.02 0.00 0.00 175.26 175.01 1uwa s PHE 44 N -1.67 0.39 -0.26 1.61 -0.12 -0.03 -0.83 117.98 117.07 1uwa s PHE 44 Ca -0.04 -0.82 -0.25 0.00 -0.05 0.00 0.00 56.93 55.77 1uwa s PHE 44 Cb -0.08 -0.19 0.07 0.00 -0.63 0.00 0.00 43.02 42.19 1uwa s PHE 44 CO 0.00 -0.55 0.71 0.00 -0.05 0.00 0.00 175.22 175.33 1uwa s ALA 45 N -3.92 -1.75 0.89 1.99 0.00 -0.22 -0.90 121.76 117.85 1uwa s ALA 45 Ca 0.11 1.97 -0.11 0.00 0.00 0.00 0.00 51.96 53.93 1uwa s ALA 45 Cb 0.06 -1.12 0.13 0.00 0.00 0.00 0.00 23.12 22.19 1uwa s ALA 45 CO -0.06 -0.33 1.12 -1.83 0.00 0.00 0.00 175.76 174.65 1uwa s GLU 46 N 0.32 1.22 0.30 0.00 -1.05 -1.26 -0.54 118.70 117.68 1uwa s GLU 46 Ca -0.00 1.31 0.02 0.00 -0.15 0.00 0.00 54.97 56.15 1uwa s GLU 46 Cb -0.05 -1.77 0.59 0.00 -0.44 0.00 0.00 34.13 32.47 1uwa s GLU 46 CO 0.01 -2.42 1.85 0.00 0.95 0.00 0.00 175.26 175.65 1uwa h ALA 47 N -1.70 1.57 0.00 -0.84 0.00 -1.97 -1.16 119.26 115.16 1uwa h ALA 47 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1uwa h ALA 47 Cb 1.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1uwa h ALA 47 CO 0.46 0.19 0.00 -0.44 0.00 0.00 0.00 179.25 179.46 1uwa h ASP 48 N 0.95 0.00 -0.29 0.00 3.32 -1.99 -3.03 116.42 115.38 1uwa h ASP 48 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1uwa h ASP 48 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1uwa h ASP 48 CO -0.25 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.56 1uwa n LYS 49 N -2.70 2.90 0.03 3.56 4.76 -0.45 -4.73 118.16 121.54 1uwa n LYS 49 Ca 0.01 -2.55 -0.19 0.00 -2.87 0.00 0.00 58.31 52.71 1uwa n LYS 49 Cb 0.25 -1.63 -0.14 0.00 -1.84 0.00 0.00 35.03 31.66 1uwa n LYS 49 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uwa h ALA 50 N 1.86 0.37 -3.33 7.82 0.00 -1.41 -3.45 119.26 121.11 1uwa h ALA 50 Ca 0.00 -1.28 -0.66 0.00 0.00 0.00 0.00 54.91 52.97 1uwa h ALA 50 Cb 1.18 0.53 -0.13 0.00 0.00 0.00 0.00 17.79 19.37 1uwa h ALA 50 CO 0.14 1.23 -0.64 0.71 0.00 0.00 0.00 179.25 180.69 1uwa s TYR 51 N -2.58 3.08 0.20 0.00 1.51 -1.26 -4.97 117.35 113.33 1uwa s TYR 51 Ca -0.16 0.07 -0.32 0.00 -1.01 0.00 0.00 57.07 55.66 1uwa s TYR 51 Cb 0.06 -1.65 -0.15 0.00 -0.11 0.00 0.00 41.96 40.12 1uwa s TYR 51 CO 0.82 0.47 1.13 0.28 -1.11 0.00 0.00 175.55 177.14 1uwa n VAL 52 N 1.18 1.17 -4.10 0.71 0.31 -1.26 -4.74 118.33 111.59 1uwa n VAL 52 Ca -0.13 -0.29 -0.15 0.00 -0.01 0.00 0.00 64.34 63.76 1uwa n VAL 52 Cb 0.52 -0.89 -0.04 0.00 -0.91 0.00 0.00 33.84 32.52 1uwa n VAL 52 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1uwa n SER 53 N 1.84 -0.96 0.00 4.52 3.41 -0.95 -4.98 113.62 116.50 1uwa n SER 53 Ca 0.14 -2.76 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 1uwa n SER 53 Cb 0.27 1.91 0.00 0.00 -0.26 0.00 0.00 64.21 66.13 1uwa n SER 53 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1uwa n ASN 54 N -1.76 1.36 -0.12 4.04 3.02 -1.26 -1.11 115.26 119.42 1uwa n ASN 54 Ca 0.03 -1.45 0.18 0.00 -0.03 0.00 0.00 54.58 53.31 1uwa n ASN 54 Cb 0.52 0.00 0.58 0.00 -0.61 0.00 0.00 39.78 40.27 1uwa n ASN 54 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1uwa h GLU 55 N 0.00 0.24 0.00 3.52 9.09 -1.99 -0.89 114.58 124.55 1uwa h GLU 55 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1uwa h GLU 55 Cb 0.29 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 1uwa h GLU 55 CO 0.00 0.16 0.00 0.77 0.05 0.00 0.00 179.01 179.99 1uwa h SER 56 N 0.25 0.00 0.45 3.06 0.02 -2.00 -3.13 113.55 112.20 1uwa h SER 56 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1uwa h SER 56 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1uwa h SER 56 CO -0.08 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.61 1uwa h ALA 57 N 2.11 1.00 -0.23 3.77 0.00 -1.55 -1.83 119.26 122.52 1uwa h ALA 57 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1uwa h ALA 57 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1uwa h ALA 57 CO 0.00 0.00 0.19 0.97 0.00 0.00 0.00 179.25 180.41 1uwa h ILE 58 N 0.00 0.73 -0.01 0.00 2.10 -1.72 -1.89 117.51 116.72 1uwa h ILE 58 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1uwa h ILE 58 Cb 0.22 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 36.81 1uwa h ILE 58 CO 0.00 0.00 -0.07 0.54 -1.08 0.00 0.00 178.15 177.54 1uwa n ARG 59 N -4.23 0.99 -3.61 2.19 1.74 -0.69 -4.96 116.66 108.09 1uwa n ARG 59 Ca 0.03 -0.38 -0.29 0.00 -0.77 0.00 0.00 57.85 56.44 1uwa n ARG 59 Cb 0.34 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 1uwa n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uwa s PHE 60 N -2.27 3.48 0.00 -1.55 2.99 -0.71 -5.11 117.98 114.81 1uwa s PHE 60 Ca 0.34 0.46 0.00 0.00 0.00 0.00 0.00 56.93 57.74 1uwa s PHE 60 Cb 0.21 -1.95 0.00 0.00 0.00 0.00 0.00 43.02 41.28 1uwa s PHE 60 CO 0.42 0.35 0.00 0.41 -0.00 0.00 0.00 175.22 176.40 1uwa n GLY 61 N -0.53 -0.01 2.40 4.36 0.00 -1.26 -4.90 105.19 105.26 1uwa n GLY 61 Ca -0.03 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 1uwa n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uwa n SER 62 N 0.00 6.83 -0.75 1.61 7.64 -1.26 -4.48 113.62 123.22 1uwa n SER 62 Ca 0.00 -3.05 0.05 0.00 1.01 0.00 0.00 58.87 56.89 1uwa n SER 62 Cb 0.00 -1.31 0.10 0.00 -1.01 0.00 0.00 64.21 61.99 1uwa n SER 62 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1uwa n VAL 63 N 1.49 1.09 0.80 0.44 0.24 -1.26 -4.81 118.33 116.32 1uwa n VAL 63 Ca 0.53 -1.81 0.12 0.00 -2.04 0.00 0.00 64.34 61.15 1uwa n VAL 63 Cb 0.51 0.26 0.51 0.00 -1.47 0.00 0.00 33.84 33.65 1uwa n VAL 63 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1uwa n SER 64 N -0.50 0.15 -4.57 -1.34 3.41 -1.26 -4.75 113.62 104.75 1uwa n SER 64 Ca 0.11 0.52 -0.55 0.00 -0.26 0.00 0.00 58.87 58.69 1uwa n SER 64 Cb 0.82 -0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 1uwa n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uwa n LEU 66 N 7.20 -1.71 -4.67 0.00 4.77 -1.26 -4.99 117.00 116.33 1uwa n LEU 66 Ca 0.34 0.26 -0.36 0.00 -0.03 0.00 0.00 56.01 56.22 1uwa n LEU 66 Cb 0.15 -2.88 -0.09 0.00 -2.33 0.00 0.00 43.42 38.27 1uwa n LEU 66 CO 0.80 -0.67 -0.18 -0.47 -1.33 0.00 0.00 177.39 175.53 1uwa s TYR 67 N -2.89 3.33 -0.06 -1.77 5.04 -0.15 -5.10 117.35 115.76 1uwa s TYR 67 Ca 0.00 0.23 -0.05 0.00 -2.44 0.00 0.00 57.07 54.81 1uwa s TYR 67 Cb 0.00 -2.23 0.02 0.00 0.35 0.00 0.00 41.96 40.10 1uwa s TYR 67 CO 0.00 0.13 0.15 0.71 -1.34 0.00 0.00 175.55 175.20 1uwa s TYR 68 N 0.83 -0.17 0.68 4.97 2.02 -1.26 -4.96 117.35 119.46 1uwa s TYR 68 Ca 0.07 0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 57.07 1uwa s TYR 68 Cb -0.13 0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.47 1uwa s TYR 68 CO 0.02 -0.10 1.07 -0.51 -1.57 0.00 0.00 175.55 174.46 1uwa s ASP 69 N 0.27 5.32 -0.42 2.29 1.01 -0.27 -4.23 116.67 120.64 1uwa s ASP 69 Ca -0.02 1.72 0.00 0.00 0.71 0.00 0.00 52.55 54.96 1uwa s ASP 69 Cb -0.03 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1uwa s ASP 69 CO -0.01 -1.48 0.00 0.59 0.21 0.00 0.00 175.17 174.48 1uwa n ASN 70 N -2.89 -3.90 -0.02 0.27 3.02 -1.26 -2.25 115.26 108.23 1uwa n ASN 70 Ca 0.08 0.10 -0.15 0.00 -0.03 0.00 0.00 54.58 54.58 1uwa n ASN 70 Cb 0.53 -1.75 -0.11 0.00 -0.61 0.00 0.00 39.78 37.84 1uwa n ASN 70 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1uwa h ARG 71 N 0.28 0.24 -6.61 3.52 3.08 -1.90 -3.41 114.38 109.59 1uwa h ARG 71 Ca -0.08 -0.24 -0.53 0.00 0.07 0.00 0.00 59.98 59.20 1uwa h ARG 71 Cb 0.40 0.06 0.04 0.00 0.08 0.00 0.00 29.97 30.55 1uwa h ARG 71 CO 0.12 0.94 0.78 0.71 -1.07 0.00 0.00 179.97 181.44 1uwa s TYR 72 N -3.28 3.15 0.25 3.04 2.02 -1.26 -5.05 117.35 116.22 1uwa s TYR 72 Ca -0.15 0.87 0.03 0.00 -0.37 0.00 0.00 57.07 57.45 1uwa s TYR 72 Cb 0.02 -3.78 0.03 0.00 -0.40 0.00 0.00 41.96 37.83 1uwa s TYR 72 CO 0.76 -2.74 0.23 0.91 -1.57 0.00 0.00 175.55 173.14 1uwa n TRP 73 N 3.62 -1.49 -3.51 2.71 7.02 -1.26 -5.06 117.44 119.47 1uwa n TRP 73 Ca 0.11 -1.02 -0.37 0.00 -1.02 0.00 0.00 57.50 55.21 1uwa n TRP 73 Cb 0.41 -0.21 -0.07 0.00 -2.42 0.00 0.00 31.31 29.02 1uwa n TRP 73 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1uwa s THR 74 N -1.06 5.29 0.21 -0.99 2.01 -0.08 -4.88 115.64 116.14 1uwa s THR 74 Ca 0.17 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 1uwa s THR 74 Cb -0.01 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 1uwa s THR 74 CO 0.11 0.38 1.37 -0.32 -0.69 0.00 0.00 174.62 175.46 1uwa s MET 75 N 0.53 4.34 -0.40 4.92 1.75 -1.26 -0.85 119.30 128.33 1uwa s MET 75 Ca 0.17 2.15 -0.22 0.00 -1.25 0.00 0.00 55.69 56.55 1uwa s MET 75 Cb -0.13 -3.17 0.01 0.00 2.84 0.00 0.00 34.83 34.38 1uwa s MET 75 CO 0.05 -0.33 0.70 -0.46 -0.65 0.00 0.00 175.02 174.32 1uwa s TRP 76 N 0.18 3.09 0.00 4.11 -0.11 -0.13 -4.91 118.94 121.16 1uwa s TRP 76 Ca 0.59 0.24 0.00 0.00 1.22 0.00 0.00 56.10 58.15 1uwa s TRP 76 Cb -0.39 -3.36 0.00 0.00 -1.50 0.00 0.00 33.47 28.23 1uwa s TRP 76 CO 0.39 -0.79 0.00 1.63 -4.62 0.00 0.00 176.95 173.56 1uwa n LYS 77 N 6.32 0.00 -4.38 5.86 5.02 -1.26 -4.50 118.16 125.22 1uwa n LYS 77 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1uwa n LYS 77 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 1uwa n LYS 77 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uwa s LEU 78 N 0.00 2.55 0.43 -0.35 1.43 -1.26 -5.09 118.68 116.39 1uwa s LEU 78 Ca 0.00 -1.06 -0.25 0.00 -1.03 0.00 0.00 54.13 51.79 1uwa s LEU 78 Cb 0.00 -0.74 -0.09 0.00 0.03 0.00 0.00 46.19 45.38 1uwa s LEU 78 CO 0.00 -0.17 1.24 -2.65 0.23 0.00 0.00 176.35 175.01 1uwa n PRO 79 N -0.46 1.84 -2.39 1.29 -0.02 -1.26 -4.83 135.00 129.16 1uwa n PRO 79 Ca -0.07 0.66 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 1uwa n PRO 79 Cb 0.61 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1uwa n PRO 79 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1uwa n MET 80 N -0.02 3.39 -1.96 -0.52 2.81 0.38 -4.97 117.12 116.24 1uwa n MET 80 Ca 0.07 -3.42 -0.41 0.00 -1.81 0.00 0.00 57.70 52.13 1uwa n MET 80 Cb 0.40 -3.07 -0.02 0.00 -0.71 0.00 0.00 33.22 29.83 1uwa n MET 80 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1uwa s PHE 81 N 1.48 2.87 0.00 2.03 0.08 -1.26 -2.33 117.98 120.86 1uwa s PHE 81 Ca 0.43 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.63 1uwa s PHE 81 Cb 0.07 -3.86 0.00 0.00 -0.57 0.00 0.00 43.02 38.66 1uwa s PHE 81 CO -0.01 -2.62 0.00 0.41 -0.10 0.00 0.00 175.22 172.90 1uwa n GLY 82 N 1.29 1.50 3.69 4.36 0.00 -1.26 -5.00 105.19 109.78 1uwa n GLY 82 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1uwa n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwa n ARG 84 N 5.17 1.11 -3.92 0.00 1.74 -1.26 -4.95 116.66 114.55 1uwa n ARG 84 Ca 0.14 -1.67 -0.30 0.00 -0.77 0.00 0.00 57.85 55.24 1uwa n ARG 84 Cb 0.42 -1.00 -0.16 0.00 -1.02 0.00 0.00 32.46 30.70 1uwa n ARG 84 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1uwa s ASP 85 N -1.63 3.89 0.48 0.55 2.15 -1.26 -5.01 116.67 115.83 1uwa s ASP 85 Ca 0.13 -1.27 0.13 0.00 0.43 0.00 0.00 52.55 51.98 1uwa s ASP 85 Cb 0.11 -1.16 1.13 0.00 -0.30 0.00 0.00 42.92 42.70 1uwa s ASP 85 CO 0.01 -0.26 2.10 -0.65 -0.17 0.00 0.00 175.17 176.20 1uwa h PRO 86 N 7.95 0.20 -0.38 4.34 0.11 -1.94 -1.67 132.00 140.61 1uwa h PRO 86 Ca -0.16 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.88 1uwa h PRO 86 Cb 1.07 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1uwa h PRO 86 CO 0.42 0.13 0.02 0.52 -0.21 0.00 0.00 178.00 178.88 1uwa h MET 87 N 0.21 0.59 -0.68 1.05 2.86 -1.99 -1.44 114.93 115.53 1uwa h MET 87 Ca 0.07 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1uwa h MET 87 Cb 0.05 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1uwa h MET 87 CO -0.01 0.61 0.37 0.37 1.06 0.00 0.00 176.91 179.30 1uwa h GLN 88 N 0.57 0.95 -0.21 1.72 4.15 -1.74 -0.11 115.11 120.44 1uwa h GLN 88 Ca 0.12 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1uwa h GLN 88 Cb 0.34 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1uwa h GLN 88 CO 0.01 0.72 0.08 0.28 -1.93 0.00 0.00 178.83 177.99 1uwa h VAL 89 N 0.94 1.17 -0.97 2.39 2.07 -1.37 -2.05 116.25 118.43 1uwa h VAL 89 Ca 0.24 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1uwa h VAL 89 Cb 0.05 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1uwa h VAL 89 CO -0.04 0.17 0.64 -0.07 0.02 0.00 0.00 177.57 178.29 1uwa h LEU 90 N 0.19 1.07 -1.11 2.57 3.38 -1.06 -1.38 115.31 118.97 1uwa h LEU 90 Ca 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1uwa h LEU 90 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1uwa h LEU 90 CO -0.00 0.75 0.08 0.03 0.09 0.00 0.00 178.44 179.39 1uwa h ARG 91 N 1.25 0.71 -0.31 1.13 3.08 -0.83 -2.09 114.38 117.32 1uwa h ARG 91 Ca 0.37 -0.15 -0.16 0.00 0.07 0.00 0.00 59.98 60.12 1uwa h ARG 91 Cb -0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1uwa h ARG 91 CO -0.10 0.67 -0.45 0.93 -1.07 0.00 0.00 179.97 179.94 1uwa h GLU 92 N 0.68 0.80 -0.23 0.04 4.39 -0.60 -0.77 114.58 118.89 1uwa h GLU 92 Ca 0.15 -0.45 0.06 0.00 0.34 0.00 0.00 59.36 59.46 1uwa h GLU 92 Cb 0.30 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 1uwa h GLU 92 CO 0.00 1.08 -0.15 0.82 -1.16 0.00 0.00 179.01 179.60 1uwa h ILE 93 N 0.64 0.57 -0.17 3.13 2.04 -1.11 0.31 117.51 122.91 1uwa h ILE 93 Ca 0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1uwa h ILE 93 Cb 1.02 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 1uwa h ILE 93 CO 0.10 0.00 -0.07 0.58 0.00 0.00 0.00 178.15 178.76 1uwa h VAL 94 N -0.14 0.77 -0.69 1.67 2.07 -1.19 -1.13 116.25 117.61 1uwa h VAL 94 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1uwa h VAL 94 Cb 0.33 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1uwa h VAL 94 CO -0.31 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.61 1uwa h ALA 95 N 1.11 0.89 0.31 1.67 0.00 -0.77 -0.93 119.26 121.54 1uwa h ALA 95 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1uwa h ALA 95 Cb 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1uwa h ALA 95 CO -0.20 0.45 -0.15 0.00 0.00 0.00 0.00 179.25 179.34 1uwa h THR 97 N -0.63 1.01 -0.37 0.00 1.35 -1.16 -0.86 112.91 112.25 1uwa h THR 97 Ca -0.04 -0.10 -0.07 0.00 -0.55 0.00 0.00 66.41 65.65 1uwa h THR 97 Cb 0.45 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 1uwa h THR 97 CO 0.07 0.05 -0.04 0.50 -0.25 0.00 0.00 175.52 175.85 1uwa h LYS 98 N 0.29 0.68 -0.04 4.72 3.64 -1.06 -2.40 116.57 122.40 1uwa h LYS 98 Ca 0.12 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 1uwa h LYS 98 Cb 0.13 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1uwa h LYS 98 CO -0.03 0.81 -0.65 0.00 -2.27 0.00 0.00 179.45 177.32 1uwa h ALA 99 N 0.85 0.83 -2.32 5.00 0.00 -0.88 -3.35 119.26 119.39 1uwa h ALA 99 Ca 0.10 -0.57 -0.59 0.00 0.00 0.00 0.00 54.91 53.84 1uwa h ALA 99 Cb 0.53 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.82 1uwa h ALA 99 CO 0.03 0.77 -0.74 1.19 0.00 0.00 0.00 179.25 180.50 1uwa n PHE 100 N -3.83 2.30 0.29 0.00 3.01 -0.37 -4.95 117.46 113.90 1uwa n PHE 100 Ca -0.02 -3.98 0.18 0.00 1.01 0.00 0.00 57.45 54.64 1uwa n PHE 100 Cb 0.64 -0.46 0.78 0.00 -0.01 0.00 0.00 39.48 40.43 1uwa n PHE 100 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1uwa h PRO 101 N 4.46 0.00 -0.59 -1.08 0.13 -1.58 -2.84 132.00 130.51 1uwa h PRO 101 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1uwa h PRO 101 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1uwa h PRO 101 CO 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.22 1uwa n ASP 102 N -3.10 3.87 -4.89 1.44 8.00 -1.26 -4.69 116.55 115.92 1uwa n ASP 102 Ca -0.00 -2.16 -0.22 0.00 0.71 0.00 0.00 54.79 53.12 1uwa n ASP 102 Cb 0.27 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 1uwa n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uwa s ALA 103 N -1.29 3.77 0.15 2.24 0.00 -1.07 -4.48 121.76 121.07 1uwa s ALA 103 Ca 0.42 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1uwa s ALA 103 Cb 0.24 -1.54 -0.07 0.00 0.00 0.00 0.00 23.12 21.76 1uwa s ALA 103 CO 0.25 0.30 1.01 0.71 0.00 0.00 0.00 175.76 178.04 1uwa s TYR 104 N -1.99 3.75 -0.05 0.00 1.51 0.30 -3.88 117.35 116.99 1uwa s TYR 104 Ca 0.33 1.74 0.03 0.00 -1.01 0.00 0.00 57.07 58.15 1uwa s TYR 104 Cb -0.09 -3.13 0.01 0.00 -0.11 0.00 0.00 41.96 38.64 1uwa s TYR 104 CO 0.27 -0.07 -0.12 0.08 -1.11 0.00 0.00 175.55 174.60 1uwa s VAL 105 N -0.20 1.07 0.04 0.71 1.01 -0.46 -1.06 120.40 121.51 1uwa s VAL 105 Ca 0.47 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1uwa s VAL 105 Cb -0.26 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1uwa s VAL 105 CO 0.32 0.33 -0.19 0.00 0.00 0.00 0.00 175.10 175.57 1uwa s ARG 106 N 0.50 1.26 -0.19 2.72 1.70 -0.01 -0.36 118.95 124.58 1uwa s ARG 106 Ca -0.11 -0.87 -0.11 0.00 -0.47 0.00 0.00 55.73 54.18 1uwa s ARG 106 Cb -0.14 -1.34 -0.05 0.00 -0.57 0.00 0.00 34.95 32.85 1uwa s ARG 106 CO 0.03 0.34 0.17 -1.17 -1.08 0.00 0.00 175.30 173.59 1uwa s LEU 107 N -1.12 4.23 0.26 -1.89 2.96 -0.58 -1.74 118.68 120.80 1uwa s LEU 107 Ca 0.06 0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 1uwa s LEU 107 Cb -0.08 -2.16 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 1uwa s LEU 107 CO 0.01 0.17 -0.02 0.68 -1.32 0.00 0.00 176.35 175.87 1uwa s VAL 108 N 0.32 1.33 -0.00 1.68 -7.23 -0.15 -1.72 120.40 114.63 1uwa s VAL 108 Ca 0.10 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1uwa s VAL 108 Cb -0.12 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 1uwa s VAL 108 CO -0.00 -0.28 0.03 0.00 -0.31 0.00 0.00 175.10 174.54 1uwa s ALA 109 N -3.22 -0.06 -0.00 1.32 0.00 -1.00 -1.13 121.76 117.67 1uwa s ALA 109 Ca 0.30 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.12 1uwa s ALA 109 Cb 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1uwa s ALA 109 CO 0.11 -0.10 -0.12 -0.06 0.00 0.00 0.00 175.76 175.59 1uwa s PHE 110 N -0.73 2.75 -0.24 0.00 0.08 0.58 -0.12 117.98 120.31 1uwa s PHE 110 Ca -0.08 -0.13 -0.06 0.00 0.12 0.00 0.00 56.93 56.78 1uwa s PHE 110 Cb -0.05 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.80 1uwa s PHE 110 CO -0.00 0.29 0.04 0.34 -0.10 0.00 0.00 175.22 175.79 1uwa s ASP 111 N -1.20 4.93 0.00 1.36 -1.08 -0.70 -0.28 116.67 119.70 1uwa s ASP 111 Ca 0.15 -0.25 0.27 0.00 -0.52 0.00 0.00 52.55 52.19 1uwa s ASP 111 Cb -0.11 -1.88 0.82 0.00 -1.46 0.00 0.00 42.92 40.30 1uwa s ASP 111 CO 0.05 -0.03 1.63 -0.46 0.52 0.00 0.00 175.17 176.88 1uwa n ASN 112 N 4.88 0.36 0.06 -0.34 6.94 -1.26 -1.27 115.26 124.62 1uwa n ASN 112 Ca -0.17 -0.07 -0.21 0.00 -0.02 0.00 0.00 54.58 54.12 1uwa n ASN 112 Cb 0.51 -0.03 -0.15 0.00 -2.36 0.00 0.00 39.78 37.76 1uwa n ASN 112 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1uwa h GLN 113 N 0.11 0.32 0.00 -3.83 1.08 -1.96 -3.30 115.11 107.52 1uwa h GLN 113 Ca 0.00 -0.54 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 1uwa h GLN 113 Cb 0.49 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1uwa h GLN 113 CO 0.00 1.26 -0.38 0.87 -0.95 0.00 0.00 178.83 179.63 1uwa h LYS 114 N -0.33 0.00 -6.24 1.46 1.57 -2.01 -3.48 116.57 107.53 1uwa h LYS 114 Ca -0.16 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.24 1uwa h LYS 114 Cb 1.70 0.00 0.04 0.00 0.08 0.00 0.00 32.23 34.05 1uwa h LYS 114 CO 0.16 0.00 -0.81 0.94 -0.57 0.00 0.00 179.45 179.16 1uwa n GLN 115 N -2.37 -1.24 -3.62 3.15 7.27 -0.40 -5.03 117.38 115.14 1uwa n GLN 115 Ca 0.04 0.69 -0.16 0.00 0.07 0.00 0.00 57.00 57.64 1uwa n GLN 115 Cb 0.46 -3.86 -0.07 0.00 2.41 0.00 0.00 30.24 29.18 1uwa n GLN 115 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1uwa s VAL 116 N -3.27 0.02 0.19 1.69 0.11 -0.95 -5.02 120.40 113.17 1uwa s VAL 116 Ca 0.28 -0.12 -0.31 0.00 -2.93 0.00 0.00 61.98 58.89 1uwa s VAL 116 Cb -0.11 -0.86 -0.10 0.00 -1.53 0.00 0.00 36.38 33.78 1uwa s VAL 116 CO 0.86 -0.07 1.56 -1.58 -3.33 0.00 0.00 175.10 172.54 1uwa s GLN 117 N -0.89 4.21 -0.00 1.54 0.74 -1.26 -1.72 119.66 122.28 1uwa s GLN 117 Ca -0.09 2.39 0.06 0.00 0.05 0.00 0.00 55.36 57.77 1uwa s GLN 117 Cb -0.02 -3.13 -0.07 0.00 1.10 0.00 0.00 33.01 30.89 1uwa s GLN 117 CO 0.06 -0.59 0.24 1.51 -0.55 0.00 0.00 175.29 175.96 1uwa n ILE 118 N 3.53 0.00 -3.59 -2.34 0.13 0.84 -4.91 119.36 113.01 1uwa n ILE 118 Ca 0.12 -0.32 -0.11 0.00 -1.10 0.00 0.00 62.75 61.34 1uwa n ILE 118 Cb 0.38 0.90 -0.03 0.00 -0.84 0.00 0.00 39.64 40.05 1uwa n ILE 118 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1uwa s MET 119 N -1.70 1.28 0.00 9.51 0.23 -1.20 -4.98 119.30 122.43 1uwa s MET 119 Ca 0.02 -0.68 0.00 0.00 -1.03 0.00 0.00 55.69 54.00 1uwa s MET 119 Cb 0.04 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.88 1uwa s MET 119 CO 0.25 -0.54 0.00 0.41 -2.03 0.00 0.00 175.02 173.11 1uwa n GLY 120 N -0.33 1.67 3.51 3.16 0.00 -1.26 -2.38 105.19 109.56 1uwa n GLY 120 Ca -0.14 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1uwa n GLY 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uwa s PHE 121 N -0.88 -0.49 0.18 1.61 -0.71 -0.70 -4.42 117.98 112.57 1uwa s PHE 121 Ca 0.00 0.62 -0.30 0.00 -1.04 0.00 0.00 56.93 56.20 1uwa s PHE 121 Cb 0.00 0.48 -0.08 0.00 -1.21 0.00 0.00 43.02 42.21 1uwa s PHE 121 CO 0.00 -0.58 1.25 -1.17 -1.34 0.00 0.00 175.22 173.38 1uwa s LEU 122 N -1.83 4.43 -0.00 -1.99 2.96 -1.26 -1.53 118.68 119.46 1uwa s LEU 122 Ca -0.02 2.30 0.05 0.00 -0.22 0.00 0.00 54.13 56.24 1uwa s LEU 122 Cb -0.01 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 1uwa s LEU 122 CO -0.02 -0.45 0.20 1.33 -1.32 0.00 0.00 176.35 176.09 1uwa n VAL 123 N 2.67 0.00 -3.69 1.68 0.24 0.52 -4.89 118.33 114.86 1uwa n VAL 123 Ca 0.06 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 1uwa n VAL 123 Cb 0.44 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.54 1uwa n VAL 123 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1uwa s GLN 124 N -1.75 0.60 0.13 7.34 0.74 -0.87 -4.95 119.66 120.88 1uwa s GLN 124 Ca 0.01 0.75 0.10 0.00 0.05 0.00 0.00 55.36 56.27 1uwa s GLN 124 Cb 0.04 0.26 -0.04 0.00 1.10 0.00 0.00 33.01 34.37 1uwa s GLN 124 CO 0.23 -0.08 -0.25 -0.98 -0.55 0.00 0.00 175.29 173.66 1uwa s ARG 125 N 0.43 1.32 0.49 1.67 1.70 -1.26 -1.35 118.95 121.95 1uwa s ARG 125 Ca -0.01 -1.31 -0.23 0.00 -0.47 0.00 0.00 55.73 53.70 1uwa s ARG 125 Cb -0.04 -1.73 -0.07 0.00 -0.57 0.00 0.00 34.95 32.53 1uwa s ARG 125 CO -0.01 0.40 1.27 -0.35 -1.08 0.00 0.00 175.30 175.53 1uwa n PRO 126 N 0.89 1.75 0.28 3.89 -0.04 -1.25 -4.89 135.00 135.63 1uwa n PRO 126 Ca -0.18 0.63 0.16 0.00 -0.04 0.00 0.00 63.50 64.07 1uwa n PRO 126 Cb 0.53 -2.44 0.77 0.00 -0.04 0.00 0.00 33.50 32.33 1uwa n PRO 126 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1uwa h LYS 127 N 1.70 0.00 -0.02 0.54 6.56 -1.91 -2.60 116.57 120.84 1uwa h LYS 127 Ca -0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1uwa h LYS 127 Cb 1.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 1uwa h LYS 127 CO 0.58 0.07 0.00 -1.13 -2.06 0.00 0.00 179.45 176.91 1uwa n SER 128 N -3.29 0.90 -4.71 0.86 3.41 -1.26 -4.88 113.62 104.64 1uwa n SER 128 Ca -0.01 -1.34 -0.42 0.00 -0.26 0.00 0.00 58.87 56.84 1uwa n SER 128 Cb 0.26 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1uwa n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uwa s ALA 129 N -1.98 3.66 0.00 7.33 0.00 -0.98 -4.90 121.76 124.89 1uwa s ALA 129 Ca 0.40 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1uwa s ALA 129 Cb 0.20 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1uwa s ALA 129 CO 0.33 -0.75 0.88 0.54 0.00 0.00 0.00 175.76 176.76 1uwa n ARG 130 N 4.29 2.22 -0.84 0.00 3.00 -1.26 -4.79 116.66 119.27 1uwa n ARG 130 Ca 0.13 -1.27 0.07 0.00 -0.01 0.00 0.00 57.85 56.78 1uwa n ARG 130 Cb 0.41 -0.94 0.39 0.00 0.00 0.00 0.00 32.46 32.33 1uwa n ARG 130 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1uwa n ASP 131 N -0.39 5.54 -4.08 0.55 3.85 -1.26 -4.86 116.55 115.90 1uwa n ASP 131 Ca 0.00 -2.90 -0.10 0.00 -0.71 0.00 0.00 54.79 51.08 1uwa n ASP 131 Cb 0.25 -0.67 -0.11 0.00 -1.35 0.00 0.00 41.12 39.25 1uwa n ASP 131 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1uwa s TRP 132 N -2.69 0.62 0.03 2.11 1.48 -0.87 -1.33 118.94 118.30 1uwa s TRP 132 Ca 0.54 -0.75 0.04 0.00 -1.06 0.00 0.00 56.10 54.86 1uwa s TRP 132 Cb 0.40 -0.39 -0.04 0.00 -1.16 0.00 0.00 33.47 32.29 1uwa s TRP 132 CO 0.16 -0.19 -0.05 -0.65 -4.06 0.00 0.00 176.95 172.17 1uwa s GLN 133 N -2.71 2.54 0.67 3.25 -1.52 -1.08 -4.81 119.66 116.00 1uwa s GLN 133 Ca -0.01 -0.76 -0.17 0.00 -1.95 0.00 0.00 55.36 52.47 1uwa s GLN 133 Cb -0.02 -2.51 0.01 0.00 -0.22 0.00 0.00 33.01 30.27 1uwa s GLN 133 CO -0.04 0.58 1.21 -1.25 -0.25 0.00 0.00 175.29 175.55 1uwa s PRO 134 N -1.69 2.50 0.29 2.91 0.04 -1.26 -4.87 135.00 132.92 1uwa s PRO 134 Ca 0.20 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.07 1uwa s PRO 134 Cb -0.11 -1.87 0.75 0.00 0.04 0.00 0.00 34.50 33.30 1uwa s PRO 134 CO 0.11 -1.57 1.67 0.00 0.04 0.00 0.00 177.00 177.25 1uwa h ALA 135 N 0.21 1.40 0.00 8.56 0.00 -1.97 -0.71 119.26 126.75 1uwa h ALA 135 Ca -0.49 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1uwa h ALA 135 Cb 1.30 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1uwa h ALA 135 CO 0.52 -0.42 0.00 0.27 0.00 0.00 0.00 179.25 179.62 1uwa n ASN 136 N -5.13 0.00 -0.59 0.00 6.94 -1.26 -3.03 115.26 112.18 1uwa n ASN 136 Ca 0.22 0.11 0.06 0.00 -0.02 0.00 0.00 54.58 54.96 1uwa n ASN 136 Cb 0.69 -0.36 0.16 0.00 -2.36 0.00 0.00 39.78 37.92 1uwa n ASN 136 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uwa n LYS 137 N -1.36 2.81 0.16 -3.83 4.01 -0.28 -4.62 118.16 115.05 1uwa n LYS 137 Ca 0.10 -2.24 0.05 0.00 -0.51 0.00 0.00 58.31 55.71 1uwa n LYS 137 Cb 0.24 -1.41 0.11 0.00 -0.51 0.00 0.00 35.03 33.46 1uwa n LYS 137 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uwa h ARG 138 N 1.57 0.00 -5.52 1.97 3.08 -1.44 -3.45 114.38 110.59 1uwa h ARG 138 Ca 0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 1uwa h ARG 138 Cb 0.92 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.76 1uwa h ARG 138 CO 0.06 0.39 -0.79 -1.54 -1.07 0.00 0.00 179.97 177.03 1uwa s SER 139 N -6.39 1.88 0.00 7.04 1.04 -1.26 -1.03 113.70 114.98 1uwa s SER 139 Ca 0.04 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1uwa s SER 139 Cb 0.08 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1uwa s SER 139 CO 0.72 -0.05 0.23 1.33 0.98 0.00 0.00 173.24 176.44