#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 3.19 -0.20 0.03 -1.94 -1.26 -5.02 119.30 114.09 1uwa s MET 2 Ca 0.00 -0.54 -0.04 0.00 -1.71 0.00 0.00 55.69 53.39 1uwa s MET 2 Cb 0.00 -2.90 -0.02 0.00 2.01 0.00 0.00 34.83 33.92 1uwa s MET 2 CO 0.00 0.59 -0.02 0.08 -0.01 0.00 0.00 175.02 175.67 1uwa s VAL 3 N -1.44 3.73 -0.06 -6.03 1.01 -1.26 -4.87 120.40 111.47 1uwa s VAL 3 Ca 0.32 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1uwa s VAL 3 Cb -0.13 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1uwa s VAL 3 CO 0.25 0.43 1.47 0.86 0.00 0.00 0.00 175.10 178.11 1uwa s TRP 4 N 1.14 2.49 0.10 5.22 -0.11 -1.26 -1.02 118.94 125.49 1uwa s TRP 4 Ca 0.02 0.60 -0.30 0.00 1.22 0.00 0.00 56.10 57.64 1uwa s TRP 4 Cb -0.14 -3.73 -0.05 0.00 -1.50 0.00 0.00 33.47 28.04 1uwa s TRP 4 CO 0.01 -2.85 0.98 -0.08 -4.62 0.00 0.00 176.95 170.38 1uwa s THR 5 N 3.36 4.50 -1.16 5.86 -1.32 -0.27 -4.94 115.64 121.68 1uwa s THR 5 Ca 0.65 2.02 0.27 0.00 -1.21 0.00 0.00 61.69 63.42 1uwa s THR 5 Cb -0.30 -4.29 0.15 0.00 -1.51 0.00 0.00 72.50 66.55 1uwa s THR 5 CO 0.25 0.28 1.62 -0.81 -2.21 0.00 0.00 174.62 173.75 1uwa n PRO 6 N 2.97 0.18 -3.43 7.08 -0.04 -1.26 -4.70 135.00 135.80 1uwa n PRO 6 Ca 0.03 -0.08 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 1uwa n PRO 6 Cb 0.49 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.88 5.23 -1.43 0.52 1.01 -1.26 -4.39 120.40 117.20 1uwa s VAL 7 Ca 0.16 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.76 1uwa s VAL 7 Cb 0.18 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1uwa s VAL 7 CO 0.61 0.28 0.31 0.59 0.00 0.00 0.00 175.10 176.89 1uwa n ASN 8 N 4.30 -0.37 -2.35 3.32 5.03 -1.26 -4.88 115.26 119.05 1uwa n ASN 8 Ca -0.09 -1.11 -0.16 0.00 0.87 0.00 0.00 54.58 54.08 1uwa n ASN 8 Cb 0.51 -2.51 0.03 0.00 -1.02 0.00 0.00 39.78 36.79 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 -2.89 3.71 -4.78 6.41 4.05 -1.13 -2.31 115.26 118.32 1uwa n ASN 9 Ca -0.30 -3.18 -0.35 0.00 0.45 0.00 0.00 54.58 51.21 1uwa n ASN 9 Cb 0.68 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.29 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 -3.63 3.36 0.42 1.20 1.02 -0.13 -4.84 119.74 117.14 1uwa s LYS 10 Ca 0.42 1.58 0.04 0.00 0.02 0.00 0.00 55.97 58.04 1uwa s LYS 10 Cb 0.39 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.64 1uwa s LYS 10 CO -0.01 -0.84 0.03 -1.64 -0.92 0.00 0.00 175.35 171.98 1uwa s MET 11 N -3.33 1.97 -0.30 1.68 -1.94 -1.26 -4.63 119.30 111.49 1uwa s MET 11 Ca 0.72 -2.17 0.19 0.00 -1.71 0.00 0.00 55.69 52.73 1uwa s MET 11 Cb -0.23 -1.31 0.48 0.00 2.01 0.00 0.00 34.83 35.78 1uwa s MET 11 CO 0.27 -0.23 1.01 1.19 -0.01 0.00 0.00 175.02 177.25 1uwa n PHE 12 N -0.99 1.14 -4.99 -0.03 3.01 -1.26 -5.12 117.46 109.21 1uwa n PHE 12 Ca -0.09 -2.57 0.00 0.00 1.01 0.00 0.00 57.45 55.80 1uwa n PHE 12 Cb 0.67 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 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 -0.25 0.00 -1.67 -1.08 -0.58 -1.26 -4.61 120.64 111.20 1uwa n GLU 13 Ca 0.08 0.00 -0.49 0.00 -0.42 0.00 0.00 57.16 56.33 1uwa n GLU 13 Cb 0.81 0.00 -0.05 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 -0.58 2.62 -1.04 -1.26 -1.78 114.28 112.51 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 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 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 4.91 0.00 0.77 -1.42 0.99 -1.26 -4.59 117.46 116.86 1uwa n PHE 15 Ca 0.20 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.74 1uwa n PHE 15 Cb 0.27 0.00 0.44 0.00 -1.00 0.00 0.00 39.48 39.18 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 -0.96 4.37 3.41 -0.74 -2.09 113.62 117.62 1uwa n SER 16 Ca 0.00 0.22 0.11 0.00 -0.26 0.00 0.00 58.87 58.95 1uwa n SER 16 Cb 0.00 -0.38 0.26 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.38 0.38 -3.51 7.33 4.02 -1.26 -4.85 117.16 117.90 1uwa n TYR 17 Ca 0.07 -0.19 -0.20 0.00 -0.01 0.00 0.00 57.90 57.57 1uwa n TYR 17 Cb 0.18 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.54 3.57 0.55 7.72 1.43 -0.89 -5.09 118.68 124.43 1uwa s LEU 18 Ca 0.36 -0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 52.71 1uwa s LEU 18 Cb 0.21 -2.30 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 1uwa s LEU 18 CO 0.30 -0.56 1.08 -2.65 0.23 0.00 0.00 176.35 174.74 1uwa n PRO 19 N -1.57 1.20 -1.65 1.29 -0.02 -1.26 -4.88 135.00 128.10 1uwa n PRO 19 Ca 0.02 0.45 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 1uwa n PRO 19 Cb 0.60 -2.25 -0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 -0.78 1.73 -2.09 0.52 -0.02 -1.26 -4.85 135.00 128.25 1uwa n PRO 20 Ca 0.12 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 1uwa n PRO 20 Cb 0.45 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 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 -0.61 4.36 0.89 2.45 1.43 -1.26 -5.01 118.68 120.92 1uwa s LEU 21 Ca 0.59 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.93 1uwa s LEU 21 Cb -0.59 -3.58 0.12 0.00 0.03 0.00 0.00 46.19 42.18 1uwa s LEU 21 CO 0.60 -0.75 1.09 0.42 0.23 0.00 0.00 176.35 177.94 1uwa s THR 22 N 1.80 2.70 0.37 5.49 -4.23 -1.26 -4.82 115.64 115.69 1uwa s THR 22 Ca 0.67 0.23 0.07 0.00 -1.18 0.00 0.00 61.69 61.48 1uwa s THR 22 Cb -0.37 -2.70 0.30 0.00 1.34 0.00 0.00 72.50 71.06 1uwa s THR 22 CO 0.30 -0.30 1.96 0.44 -0.54 0.00 0.00 174.62 176.48 1uwa h ASP 23 N -1.53 0.62 -0.12 3.99 3.32 -1.99 -0.26 116.42 120.45 1uwa h ASP 23 Ca -0.49 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 1uwa h ASP 23 Cb 1.28 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1uwa h ASP 23 CO 0.54 0.40 -0.27 -0.08 -1.72 0.00 0.00 179.24 178.10 1uwa h GLU 24 N 0.70 0.58 -0.10 3.56 4.81 -1.99 -1.33 114.58 120.82 1uwa h GLU 24 Ca 0.30 -0.24 -0.21 0.00 -0.13 0.00 0.00 59.36 59.09 1uwa h GLU 24 Cb 0.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1uwa h GLU 24 CO -0.10 0.80 -0.78 1.96 -0.73 0.00 0.00 179.01 180.16 1uwa h GLN 25 N 0.51 0.60 0.01 1.92 4.20 -1.63 -1.60 115.11 119.12 1uwa h GLN 25 Ca 0.07 -0.50 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 1uwa h GLN 25 Cb 0.73 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1uwa h GLN 25 CO 0.06 1.13 -0.01 0.82 -0.67 0.00 0.00 178.83 180.16 1uwa h ILE 26 N 0.40 1.14 -0.92 2.54 2.04 -1.05 -2.10 117.51 119.56 1uwa h ILE 26 Ca -0.05 -0.46 0.18 0.00 1.00 0.00 0.00 64.86 65.53 1uwa h ILE 26 Cb 1.39 1.46 -0.11 0.00 -0.74 0.00 0.00 36.82 38.82 1uwa h ILE 26 CO 0.15 0.12 0.50 0.00 0.00 0.00 0.00 178.15 178.92 1uwa h ALA 27 N 0.77 1.48 -0.54 1.87 0.00 -1.23 0.22 119.26 121.84 1uwa h ALA 27 Ca -0.00 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1uwa h ALA 27 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1uwa h ALA 27 CO 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 179.25 179.15 1uwa h ALA 28 N 1.63 0.73 -0.81 0.00 0.00 -1.11 -0.30 119.26 119.39 1uwa h ALA 28 Ca 0.54 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1uwa h ALA 28 Cb 0.85 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1uwa h ALA 28 CO -0.41 0.52 0.43 1.96 0.00 0.00 0.00 179.25 181.76 1uwa h GLN 29 N 0.82 1.14 -0.72 0.00 1.08 -0.60 -2.02 115.11 114.81 1uwa h GLN 29 Ca 0.16 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1uwa h GLN 29 Cb 0.49 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 1uwa h GLN 29 CO 0.02 0.86 0.33 0.28 -0.95 0.00 0.00 178.83 179.37 1uwa h VAL 30 N 1.14 1.24 -0.99 -0.54 2.07 -0.71 -1.88 116.25 116.58 1uwa h VAL 30 Ca 0.28 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1uwa h VAL 30 Cb 0.06 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1uwa h VAL 30 CO -0.04 0.29 0.65 0.44 0.02 0.00 0.00 177.57 178.93 1uwa h ASP 31 N 1.02 1.12 -0.86 0.57 3.32 -0.77 -1.87 116.42 118.94 1uwa h ASP 31 Ca 0.25 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1uwa h ASP 31 Cb 0.15 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 1uwa h ASP 31 CO -0.03 0.80 0.48 0.22 -1.72 0.00 0.00 179.24 179.00 1uwa h TYR 32 N 1.32 1.18 -0.08 4.55 3.20 -0.86 0.24 116.97 126.51 1uwa h TYR 32 Ca 0.37 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1uwa h TYR 32 Cb -0.12 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 37.76 1uwa h TYR 32 CO -0.00 0.81 0.05 0.82 -1.64 0.00 0.00 178.16 178.20 1uwa h ILE 33 N 1.21 1.04 -0.26 1.81 2.04 -0.67 -2.77 117.51 119.89 1uwa h ILE 33 Ca 0.31 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 66.02 1uwa h ILE 33 Cb 0.01 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1uwa h ILE 33 CO -0.05 0.03 -0.08 0.58 0.00 0.00 0.00 178.15 178.63 1uwa h VAL 34 N 0.10 1.29 -0.23 1.67 2.07 -0.94 -2.13 116.25 118.08 1uwa h VAL 34 Ca 0.03 -1.12 0.07 0.00 0.82 0.00 0.00 66.70 66.50 1uwa h VAL 34 Cb 0.01 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1uwa h VAL 34 CO -0.01 0.35 0.18 0.00 0.02 0.00 0.00 177.57 178.12 1uwa h ALA 35 N 0.76 2.08 -0.02 1.67 0.00 -0.56 -1.54 119.26 121.65 1uwa h ALA 35 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1uwa h ALA 35 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1uwa h ALA 35 CO 0.03 -0.30 -0.30 0.09 0.00 0.00 0.00 179.25 178.77 1uwa n ASN 36 N -4.23 1.82 -0.74 0.00 3.02 -1.05 -4.98 115.26 109.10 1uwa n ASN 36 Ca 0.02 -1.40 -0.08 0.00 -0.03 0.00 0.00 54.58 53.10 1uwa n ASN 36 Cb 0.33 0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 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 0.64 3.89 7.41 0.00 -0.58 -5.03 105.19 112.89 1uwa n GLY 37 Ca 0.12 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.34 3.34 -0.39 1.61 0.51 -0.84 -4.98 118.94 115.85 1uwa s TRP 38 Ca 0.00 0.95 -0.16 0.00 -2.12 0.00 0.00 56.10 54.77 1uwa s TRP 38 Cb 0.00 -2.92 0.01 0.00 -0.81 0.00 0.00 33.47 29.75 1uwa s TRP 38 CO 0.00 -1.00 0.36 0.42 -0.51 0.00 0.00 176.95 176.22 1uwa s ILE 39 N -3.22 5.17 0.41 2.03 1.01 0.30 -4.75 121.20 122.16 1uwa s ILE 39 Ca 0.56 -0.28 -0.24 0.00 0.00 0.00 0.00 60.65 60.69 1uwa s ILE 39 Cb -0.11 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.36 1uwa s ILE 39 CO 0.50 -0.25 1.09 -2.84 0.00 0.00 0.00 174.94 173.43 1uwa s PRO 40 N 1.96 4.07 -0.09 2.79 0.02 -1.26 -0.27 135.00 142.22 1uwa s PRO 40 Ca 0.10 1.61 -0.20 0.00 0.02 0.00 0.00 61.00 62.52 1uwa s PRO 40 Cb -0.17 -2.54 0.05 0.00 0.02 0.00 0.00 34.50 31.86 1uwa s PRO 40 CO 0.12 -0.24 0.48 0.00 -0.33 0.00 0.00 177.00 177.03 1uwa s LEU 42 N -0.67 3.41 0.05 0.00 1.43 -1.26 -0.90 118.68 120.74 1uwa s LEU 42 Ca -0.08 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1uwa s LEU 42 Cb -0.03 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1uwa s LEU 42 CO 0.04 0.25 -0.06 -1.61 0.23 0.00 0.00 176.35 175.20 1uwa s GLU 43 N -1.76 0.59 0.08 1.70 2.02 -0.77 -0.80 118.70 119.76 1uwa s GLU 43 Ca 0.21 -0.94 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 1uwa s GLU 43 Cb -0.11 -0.17 0.01 0.00 0.10 0.00 0.00 34.13 33.96 1uwa s GLU 43 CO 0.12 0.00 0.27 -0.59 0.02 0.00 0.00 175.26 175.08 1uwa s PHE 44 N -2.23 -0.01 -0.15 1.61 -0.12 -0.27 -0.82 117.98 116.00 1uwa s PHE 44 Ca -0.03 -0.29 -0.19 0.00 -0.05 0.00 0.00 56.93 56.36 1uwa s PHE 44 Cb -0.04 0.06 0.05 0.00 -0.63 0.00 0.00 43.02 42.45 1uwa s PHE 44 CO -0.02 -0.55 0.51 0.00 -0.05 0.00 0.00 175.22 175.11 1uwa s ALA 45 N -3.35 -1.28 0.78 1.99 0.00 -0.39 -0.86 121.76 118.66 1uwa s ALA 45 Ca 0.01 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 1uwa s ALA 45 Cb 0.02 -0.60 0.07 0.00 0.00 0.00 0.00 23.12 22.61 1uwa s ALA 45 CO -0.08 -0.27 1.16 -1.83 0.00 0.00 0.00 175.76 174.74 1uwa s GLU 46 N -0.17 1.93 0.33 0.00 -1.05 -1.26 -0.80 118.70 117.68 1uwa s GLU 46 Ca -0.04 1.55 0.09 0.00 -0.15 0.00 0.00 54.97 56.43 1uwa s GLU 46 Cb -0.03 -1.83 0.84 0.00 -0.44 0.00 0.00 34.13 32.67 1uwa s GLU 46 CO 0.03 -1.95 1.77 0.00 0.95 0.00 0.00 175.26 176.05 1uwa h ALA 47 N -0.84 1.80 0.00 -0.84 0.00 -1.96 -0.56 119.26 116.86 1uwa h ALA 47 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1uwa h ALA 47 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1uwa h ALA 47 CO 0.48 -0.20 0.00 -0.44 0.00 0.00 0.00 179.25 179.10 1uwa h ASP 48 N 0.66 0.00 -0.24 0.00 3.32 -1.99 -3.00 116.42 115.17 1uwa h ASP 48 Ca 0.59 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.64 1uwa h ASP 48 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1uwa h ASP 48 CO -0.38 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.43 1uwa n LYS 49 N -2.70 2.73 0.03 3.56 4.76 -0.23 -4.72 118.16 121.60 1uwa n LYS 49 Ca 0.01 -2.62 -0.19 0.00 -2.87 0.00 0.00 58.31 52.63 1uwa n LYS 49 Cb 0.25 -1.67 -0.14 0.00 -1.84 0.00 0.00 35.03 31.62 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 1.58 0.37 -3.26 7.82 0.00 -1.42 -3.45 119.26 120.90 1uwa h ALA 50 Ca 0.00 -1.28 -0.65 0.00 0.00 0.00 0.00 54.91 52.98 1uwa h ALA 50 Cb 1.23 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 19.44 1uwa h ALA 50 CO 0.15 1.24 -0.62 0.71 0.00 0.00 0.00 179.25 180.72 1uwa s TYR 51 N -2.58 3.12 0.25 0.00 1.51 -1.26 -4.97 117.35 113.41 1uwa s TYR 51 Ca -0.16 0.07 -0.30 0.00 -1.01 0.00 0.00 57.07 55.67 1uwa s TYR 51 Cb 0.06 -1.62 -0.14 0.00 -0.11 0.00 0.00 41.96 40.15 1uwa s TYR 51 CO 0.82 0.50 1.21 0.28 -1.11 0.00 0.00 175.55 177.25 1uwa n VAL 52 N 0.80 1.38 -4.08 0.71 0.31 -1.26 -4.72 118.33 111.46 1uwa n VAL 52 Ca -0.11 -0.34 -0.15 0.00 -0.01 0.00 0.00 64.34 63.73 1uwa n VAL 52 Cb 0.52 -1.18 -0.04 0.00 -0.91 0.00 0.00 33.84 32.24 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 1.67 -1.14 0.00 4.52 3.41 -0.94 -4.98 113.62 116.16 1uwa n SER 53 Ca 0.11 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 1uwa n SER 53 Cb 0.30 2.20 0.00 0.00 -0.26 0.00 0.00 64.21 66.45 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 -1.68 1.33 -0.17 4.04 3.02 -1.26 -1.08 115.26 119.46 1uwa n ASN 54 Ca 0.02 -1.35 0.19 0.00 -0.03 0.00 0.00 54.58 53.41 1uwa n ASN 54 Cb 0.55 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 40.28 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 0.30 0.00 3.52 9.09 -1.99 -0.36 114.58 125.14 1uwa h GLU 55 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1uwa h GLU 55 Cb 0.18 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 1uwa h GLU 55 CO 0.00 0.20 0.00 0.77 0.05 0.00 0.00 179.01 180.03 1uwa h SER 56 N 0.30 0.00 0.46 3.06 0.02 -2.00 -3.14 113.55 112.25 1uwa h SER 56 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1uwa h SER 56 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1uwa h SER 56 CO -0.11 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.58 1uwa h ALA 57 N 2.04 1.00 -0.29 3.77 0.00 -1.45 -1.92 119.26 122.41 1uwa h ALA 57 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1uwa h ALA 57 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1uwa h ALA 57 CO 0.00 0.00 0.27 0.97 0.00 0.00 0.00 179.25 180.49 1uwa h ILE 58 N 0.00 0.56 -0.01 0.00 2.10 -1.73 -1.28 117.51 117.15 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 0.23 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 36.75 1uwa h ILE 58 CO 0.00 0.00 -0.09 0.54 -1.08 0.00 0.00 178.15 177.52 1uwa n ARG 59 N -3.98 1.05 -3.54 2.19 1.74 -0.72 -4.96 116.66 108.43 1uwa n ARG 59 Ca 0.04 -0.46 -0.29 0.00 -0.77 0.00 0.00 57.85 56.37 1uwa n ARG 59 Cb 0.42 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 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 3.47 0.00 -1.55 2.99 -0.49 -5.11 117.98 115.03 1uwa s PHE 60 Ca 0.33 0.55 0.00 0.00 0.00 0.00 0.00 56.93 57.81 1uwa s PHE 60 Cb 0.20 -2.01 0.00 0.00 0.00 0.00 0.00 43.02 41.21 1uwa s PHE 60 CO 0.43 0.31 0.00 0.41 -0.00 0.00 0.00 175.22 176.37 1uwa n GLY 61 N -0.52 -0.04 2.38 4.36 0.00 -1.26 -4.90 105.19 105.20 1uwa n GLY 61 Ca -0.03 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 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 7.48 -0.89 1.61 7.64 -1.26 -4.51 113.62 123.69 1uwa n SER 62 Ca 0.00 -2.94 0.05 0.00 1.01 0.00 0.00 58.87 56.98 1uwa n SER 62 Cb 0.00 -1.38 0.09 0.00 -1.01 0.00 0.00 64.21 61.90 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 2.03 0.88 1.12 0.44 0.24 -1.26 -4.83 118.33 116.95 1uwa n VAL 63 Ca 0.60 -1.64 0.14 0.00 -2.04 0.00 0.00 64.34 61.41 1uwa n VAL 63 Cb 0.40 0.40 0.60 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.30 0.11 -4.66 -1.34 3.41 -1.26 -4.75 113.62 104.83 1uwa n SER 64 Ca 0.10 0.18 -0.53 0.00 -0.26 0.00 0.00 58.87 58.36 1uwa n SER 64 Cb 0.87 -0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 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 6.68 -1.50 -4.66 0.00 4.77 -1.26 -4.99 117.00 116.04 1uwa n LEU 66 Ca 0.27 0.18 -0.36 0.00 -0.03 0.00 0.00 56.01 56.07 1uwa n LEU 66 Cb 0.21 -2.55 -0.09 0.00 -2.33 0.00 0.00 43.42 38.65 1uwa n LEU 66 CO 0.77 -0.39 -0.17 -0.47 -1.33 0.00 0.00 177.39 175.80 1uwa s TYR 67 N -2.74 3.32 -0.01 -1.77 5.04 -0.04 -5.10 117.35 116.05 1uwa s TYR 67 Ca 0.00 0.23 -0.02 0.00 -2.44 0.00 0.00 57.07 54.85 1uwa s TYR 67 Cb 0.00 -2.27 0.00 0.00 0.35 0.00 0.00 41.96 40.04 1uwa s TYR 67 CO 0.00 0.07 0.04 0.71 -1.34 0.00 0.00 175.55 175.03 1uwa s TYR 68 N 1.05 0.00 0.62 4.97 2.02 -1.26 -4.96 117.35 119.79 1uwa s TYR 68 Ca 0.08 0.01 -0.12 0.00 -0.37 0.00 0.00 57.07 56.67 1uwa s TYR 68 Cb -0.13 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 1uwa s TYR 68 CO 0.04 -0.06 1.03 -0.51 -1.57 0.00 0.00 175.55 174.49 1uwa s ASP 69 N -0.26 6.08 -0.44 2.29 1.01 -0.24 -4.29 116.67 120.82 1uwa s ASP 69 Ca -0.03 1.50 0.00 0.00 0.71 0.00 0.00 52.55 54.73 1uwa s ASP 69 Cb -0.02 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.43 1uwa s ASP 69 CO -0.00 -0.97 0.00 0.59 0.21 0.00 0.00 175.17 175.00 1uwa n ASN 70 N -2.63 -3.82 -0.03 0.27 3.02 -1.26 -2.22 115.26 108.58 1uwa n ASN 70 Ca 0.07 0.10 -0.15 0.00 -0.03 0.00 0.00 54.58 54.57 1uwa n ASN 70 Cb 0.54 -1.68 -0.11 0.00 -0.61 0.00 0.00 39.78 37.92 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 0.24 0.17 -6.62 3.52 3.08 -1.90 -3.41 114.38 109.46 1uwa h ARG 71 Ca -0.08 -0.15 -0.53 0.00 0.07 0.00 0.00 59.98 59.29 1uwa h ARG 71 Cb 0.38 0.04 0.03 0.00 0.08 0.00 0.00 29.97 30.50 1uwa h ARG 71 CO 0.12 0.84 0.73 0.71 -1.07 0.00 0.00 179.97 181.31 1uwa s TYR 72 N -3.39 3.19 0.17 3.04 2.02 -1.26 -5.05 117.35 116.08 1uwa s TYR 72 Ca -0.16 0.98 0.02 0.00 -0.37 0.00 0.00 57.07 57.54 1uwa s TYR 72 Cb 0.01 -3.72 0.02 0.00 -0.40 0.00 0.00 41.96 37.87 1uwa s TYR 72 CO 0.73 -2.45 0.13 0.91 -1.57 0.00 0.00 175.55 173.31 1uwa n TRP 73 N 3.38 -1.27 -3.70 2.71 7.02 -1.26 -5.07 117.44 119.25 1uwa n TRP 73 Ca 0.10 -0.74 -0.36 0.00 -1.02 0.00 0.00 57.50 55.48 1uwa n TRP 73 Cb 0.42 -0.14 -0.07 0.00 -2.42 0.00 0.00 31.31 29.09 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 -0.83 5.38 0.11 -0.99 2.01 -0.04 -4.88 115.64 116.39 1uwa s THR 74 Ca 0.10 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 1uwa s THR 74 Cb -0.01 -3.51 -0.07 0.00 0.01 0.00 0.00 72.50 68.92 1uwa s THR 74 CO 0.06 0.48 1.19 -0.32 -0.69 0.00 0.00 174.62 175.35 1uwa s MET 75 N -0.07 4.46 -0.48 4.92 1.75 -1.26 -1.11 119.30 127.51 1uwa s MET 75 Ca 0.13 1.80 -0.25 0.00 -1.25 0.00 0.00 55.69 56.13 1uwa s MET 75 Cb -0.12 -3.31 0.03 0.00 2.84 0.00 0.00 34.83 34.27 1uwa s MET 75 CO 0.02 -0.18 0.90 -0.46 -0.65 0.00 0.00 175.02 174.64 1uwa s TRP 76 N 0.64 2.90 0.00 4.11 -0.11 0.02 -4.89 118.94 121.61 1uwa s TRP 76 Ca 0.56 0.22 0.00 0.00 1.22 0.00 0.00 56.10 58.10 1uwa s TRP 76 Cb -0.31 -3.93 0.00 0.00 -1.50 0.00 0.00 33.47 27.74 1uwa s TRP 76 CO 0.32 -1.14 0.00 1.63 -4.62 0.00 0.00 176.95 173.14 1uwa n LYS 77 N 7.14 0.00 -4.36 5.86 5.02 -1.26 -4.54 118.16 126.02 1uwa n LYS 77 Ca 0.04 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.14 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 0.49 -0.35 1.43 -1.26 -5.10 118.68 116.44 1uwa s LEU 78 Ca 0.00 -1.04 -0.23 0.00 -1.03 0.00 0.00 54.13 51.83 1uwa s LEU 78 Cb 0.00 -0.69 -0.08 0.00 0.03 0.00 0.00 46.19 45.45 1uwa s LEU 78 CO 0.00 -0.18 1.15 -2.65 0.23 0.00 0.00 176.35 174.90 1uwa n PRO 79 N -0.41 1.49 -2.50 1.29 -0.02 -1.26 -4.84 135.00 128.74 1uwa n PRO 79 Ca -0.08 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 1uwa n PRO 79 Cb 0.61 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 -0.39 3.61 -1.83 -0.52 2.81 0.40 -4.98 117.12 116.22 1uwa n MET 80 Ca 0.10 -3.65 -0.42 0.00 -1.81 0.00 0.00 57.70 51.92 1uwa n MET 80 Cb 0.42 -2.93 -0.02 0.00 -0.71 0.00 0.00 33.22 29.98 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 0.47 2.90 0.00 2.03 0.08 -1.26 -2.11 117.98 120.09 1uwa s PHE 81 Ca 0.40 0.65 0.00 0.00 0.12 0.00 0.00 56.93 58.09 1uwa s PHE 81 Cb 0.07 -4.03 0.00 0.00 -0.57 0.00 0.00 43.02 38.49 1uwa s PHE 81 CO 0.01 -3.66 0.00 0.41 -0.10 0.00 0.00 175.22 171.88 1uwa n GLY 82 N 3.06 1.26 3.69 4.36 0.00 -1.26 -5.00 105.19 111.30 1uwa n GLY 82 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 5.41 1.60 -3.99 0.00 1.74 -1.26 -4.94 116.66 115.22 1uwa n ARG 84 Ca 0.14 -1.72 -0.31 0.00 -0.77 0.00 0.00 57.85 55.18 1uwa n ARG 84 Cb 0.43 -1.07 -0.15 0.00 -1.02 0.00 0.00 32.46 30.65 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 -1.59 4.21 0.47 0.55 2.15 -1.26 -5.01 116.67 116.18 1uwa s ASP 85 Ca 0.12 -1.40 0.12 0.00 0.43 0.00 0.00 52.55 51.82 1uwa s ASP 85 Cb 0.11 -1.37 1.08 0.00 -0.30 0.00 0.00 42.92 42.44 1uwa s ASP 85 CO 0.01 -0.24 2.09 -0.65 -0.17 0.00 0.00 175.17 176.21 1uwa h PRO 86 N 7.84 0.27 -0.30 4.34 0.11 -1.94 -1.66 132.00 140.66 1uwa h PRO 86 Ca -0.16 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 1uwa h PRO 86 Cb 1.05 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1uwa h PRO 86 CO 0.45 0.18 -0.01 0.52 -0.21 0.00 0.00 178.00 178.93 1uwa h MET 87 N 0.28 0.45 -0.76 1.05 2.86 -1.99 -1.48 114.93 115.34 1uwa h MET 87 Ca 0.10 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1uwa h MET 87 Cb 0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1uwa h MET 87 CO -0.02 0.49 0.31 0.37 1.06 0.00 0.00 176.91 179.11 1uwa h GLN 88 N 0.44 1.13 -0.13 1.72 4.15 -1.74 -0.80 115.11 119.88 1uwa h GLN 88 Ca 0.10 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.28 1uwa h GLN 88 Cb 0.30 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1uwa h GLN 88 CO 0.01 0.92 -0.05 0.28 -1.93 0.00 0.00 178.83 178.06 1uwa h VAL 89 N 1.11 1.30 -0.99 2.39 2.07 -1.40 -2.24 116.25 118.49 1uwa h VAL 89 Ca 0.26 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.80 1uwa h VAL 89 Cb 0.21 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 1uwa h VAL 89 CO -0.02 0.30 0.64 -0.07 0.02 0.00 0.00 177.57 178.44 1uwa h LEU 90 N -0.06 1.03 -1.09 2.57 3.38 -1.16 -1.29 115.31 118.69 1uwa h LEU 90 Ca 0.03 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1uwa h LEU 90 Cb 0.49 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1uwa h LEU 90 CO 0.02 0.66 -0.11 0.03 0.09 0.00 0.00 178.44 179.13 1uwa h ARG 91 N 1.17 0.51 -0.09 1.13 3.08 -1.05 -2.05 114.38 117.08 1uwa h ARG 91 Ca 0.42 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 60.17 1uwa h ARG 91 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1uwa h ARG 91 CO -0.16 0.62 -0.65 0.93 -1.07 0.00 0.00 179.97 179.63 1uwa h GLU 92 N 0.47 0.35 0.06 0.04 4.39 -0.66 -0.89 114.58 118.34 1uwa h GLU 92 Ca 0.09 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1uwa h GLU 92 Cb 0.48 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1uwa h GLU 92 CO 0.03 0.88 -0.06 0.82 -1.16 0.00 0.00 179.01 179.52 1uwa h ILE 93 N 0.25 0.85 -0.22 3.13 2.04 -1.02 0.21 117.51 122.75 1uwa h ILE 93 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1uwa h ILE 93 Cb 1.20 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1uwa h ILE 93 CO 0.11 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.73 1uwa h VAL 94 N -0.14 0.65 -0.79 1.67 2.07 -1.28 -1.13 116.25 117.29 1uwa h VAL 94 Ca 0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1uwa h VAL 94 Cb 0.14 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1uwa h VAL 94 CO -0.02 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.92 1uwa h ALA 95 N 1.08 1.03 0.15 1.67 0.00 -0.94 -1.43 119.26 120.82 1uwa h ALA 95 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1uwa h ALA 95 Cb 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1uwa h ALA 95 CO -0.27 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.52 1uwa h THR 97 N -0.47 1.06 -0.45 0.00 1.35 -1.18 -1.27 112.91 111.94 1uwa h THR 97 Ca -0.02 -0.13 -0.13 0.00 -0.55 0.00 0.00 66.41 65.58 1uwa h THR 97 Cb 0.37 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 1uwa h THR 97 CO 0.03 0.07 -0.23 0.50 -0.25 0.00 0.00 175.52 175.64 1uwa h LYS 98 N 0.38 0.95 -0.01 4.72 3.64 -1.15 -2.27 116.57 122.82 1uwa h LYS 98 Ca 0.12 -0.42 -0.17 0.00 -1.27 0.00 0.00 60.65 58.91 1uwa h LYS 98 Cb 0.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1uwa h LYS 98 CO -0.03 1.09 -0.75 0.00 -2.27 0.00 0.00 179.45 177.49 1uwa h ALA 99 N 0.84 0.72 -2.17 5.00 0.00 -0.96 -3.36 119.26 119.32 1uwa h ALA 99 Ca 0.10 -0.66 -0.59 0.00 0.00 0.00 0.00 54.91 53.76 1uwa h ALA 99 Cb 0.81 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.09 1uwa h ALA 99 CO 0.07 0.88 -0.75 1.19 0.00 0.00 0.00 179.25 180.64 1uwa n PHE 100 N -3.70 2.35 0.30 0.00 3.01 -0.52 -4.96 117.46 113.94 1uwa n PHE 100 Ca -0.02 -3.97 0.19 0.00 1.01 0.00 0.00 57.45 54.66 1uwa n PHE 100 Cb 0.72 -0.48 0.84 0.00 -0.01 0.00 0.00 39.48 40.55 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 4.20 0.00 -0.53 -1.08 0.13 -1.57 -2.81 132.00 130.33 1uwa h PRO 101 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1uwa h PRO 101 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1uwa h PRO 101 CO 0.71 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.23 1uwa n ASP 102 N -3.02 3.42 -4.95 1.44 8.00 -1.26 -4.70 116.55 115.48 1uwa n ASP 102 Ca -0.01 -1.99 -0.21 0.00 0.71 0.00 0.00 54.79 53.30 1uwa n ASP 102 Cb 0.22 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.02 3.89 0.18 2.24 0.00 -1.06 -4.45 121.76 121.54 1uwa s ALA 103 Ca 0.36 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 1uwa s ALA 103 Cb 0.19 -1.66 -0.08 0.00 0.00 0.00 0.00 23.12 21.57 1uwa s ALA 103 CO 0.25 0.23 1.00 0.71 0.00 0.00 0.00 175.76 177.95 1uwa s TYR 104 N -2.01 3.79 -0.06 0.00 1.51 0.02 -3.80 117.35 116.80 1uwa s TYR 104 Ca 0.34 1.78 0.01 0.00 -1.01 0.00 0.00 57.07 58.19 1uwa s TYR 104 Cb -0.09 -3.11 0.02 0.00 -0.11 0.00 0.00 41.96 38.67 1uwa s TYR 104 CO 0.28 0.01 -0.07 0.08 -1.11 0.00 0.00 175.55 174.74 1uwa s VAL 105 N -0.54 0.74 0.08 0.71 1.01 -0.60 -1.26 120.40 120.55 1uwa s VAL 105 Ca 0.45 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.30 1uwa s VAL 105 Cb -0.27 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1uwa s VAL 105 CO 0.33 0.28 -0.25 0.00 0.00 0.00 0.00 175.10 175.46 1uwa s ARG 106 N 0.95 1.47 -0.17 2.72 1.70 0.00 -0.06 118.95 125.55 1uwa s ARG 106 Ca -0.10 -1.17 -0.09 0.00 -0.47 0.00 0.00 55.73 53.89 1uwa s ARG 106 Cb -0.15 -1.76 -0.05 0.00 -0.57 0.00 0.00 34.95 32.43 1uwa s ARG 106 CO 0.00 0.43 0.14 -1.17 -1.08 0.00 0.00 175.30 173.63 1uwa s LEU 107 N -1.64 4.27 0.25 -1.89 2.96 -0.43 -1.84 118.68 120.36 1uwa s LEU 107 Ca 0.11 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.38 1uwa s LEU 107 Cb -0.10 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1uwa s LEU 107 CO 0.04 0.25 0.01 0.68 -1.32 0.00 0.00 176.35 176.01 1uwa s VAL 108 N -0.07 1.03 0.01 1.68 -7.23 -0.08 -1.64 120.40 114.10 1uwa s VAL 108 Ca 0.11 -2.03 -0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1uwa s VAL 108 Cb -0.11 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 1uwa s VAL 108 CO 0.00 -0.26 -0.01 0.00 -0.31 0.00 0.00 175.10 174.53 1uwa s ALA 109 N -3.42 0.05 -0.01 1.32 0.00 -0.98 -0.98 121.76 117.75 1uwa s ALA 109 Ca 0.30 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1uwa s ALA 109 Cb 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1uwa s ALA 109 CO 0.10 -0.10 -0.07 -0.06 0.00 0.00 0.00 175.76 175.63 1uwa s PHE 110 N -0.92 2.90 -0.25 0.00 0.08 0.63 -0.45 117.98 119.96 1uwa s PHE 110 Ca -0.10 -0.03 -0.09 0.00 0.12 0.00 0.00 56.93 56.83 1uwa s PHE 110 Cb -0.06 -1.63 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1uwa s PHE 110 CO -0.01 0.36 0.12 0.34 -0.10 0.00 0.00 175.22 175.94 1uwa s ASP 111 N -1.27 5.59 0.00 1.36 -1.08 -0.44 -0.54 116.67 120.30 1uwa s ASP 111 Ca 0.16 -0.08 0.27 0.00 -0.52 0.00 0.00 52.55 52.38 1uwa s ASP 111 Cb -0.11 -2.02 0.84 0.00 -1.46 0.00 0.00 42.92 40.17 1uwa s ASP 111 CO 0.06 -0.01 1.65 -0.46 0.52 0.00 0.00 175.17 176.93 1uwa n ASN 112 N 4.78 0.28 -0.02 -0.34 6.94 -1.26 -1.37 115.26 124.28 1uwa n ASN 112 Ca -0.15 0.10 -0.16 0.00 -0.02 0.00 0.00 54.58 54.35 1uwa n ASN 112 Cb 0.52 -0.10 -0.13 0.00 -2.36 0.00 0.00 39.78 37.71 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 0.00 0.16 0.00 -3.83 1.08 -1.96 -3.28 115.11 107.28 1uwa h GLN 113 Ca 0.00 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1uwa h GLN 113 Cb 0.51 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1uwa h GLN 113 CO 0.00 1.06 -0.06 0.87 -0.95 0.00 0.00 178.83 179.75 1uwa h LYS 114 N -0.64 0.00 -6.31 1.46 1.57 -2.01 -3.48 116.57 107.15 1uwa h LYS 114 Ca -0.06 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.33 1uwa h LYS 114 Cb 1.23 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.57 1uwa h LYS 114 CO 0.07 0.00 -0.84 0.94 -0.57 0.00 0.00 179.45 179.05 1uwa n GLN 115 N -2.57 -1.20 -3.65 3.15 7.27 -0.47 -5.03 117.38 114.89 1uwa n GLN 115 Ca 0.05 0.66 -0.16 0.00 0.07 0.00 0.00 57.00 57.63 1uwa n GLN 115 Cb 0.47 -3.69 -0.07 0.00 2.41 0.00 0.00 30.24 29.35 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 -3.26 0.03 0.18 1.69 0.11 -0.91 -5.02 120.40 113.22 1uwa s VAL 116 Ca 0.27 -0.24 -0.31 0.00 -2.93 0.00 0.00 61.98 58.77 1uwa s VAL 116 Cb -0.11 -0.80 -0.10 0.00 -1.53 0.00 0.00 36.38 33.84 1uwa s VAL 116 CO 0.87 -0.13 1.55 -1.58 -3.33 0.00 0.00 175.10 172.48 1uwa s GLN 117 N -1.21 4.22 -0.00 1.54 0.74 -1.26 -1.33 119.66 122.35 1uwa s GLN 117 Ca -0.12 2.37 0.09 0.00 0.05 0.00 0.00 55.36 57.75 1uwa s GLN 117 Cb -0.03 -3.14 -0.11 0.00 1.10 0.00 0.00 33.01 30.83 1uwa s GLN 117 CO 0.07 -0.58 0.32 1.51 -0.55 0.00 0.00 175.29 176.05 1uwa n ILE 118 N 3.67 0.00 -3.60 -2.34 0.13 0.40 -4.90 119.36 112.73 1uwa n ILE 118 Ca 0.13 -0.26 -0.11 0.00 -1.10 0.00 0.00 62.75 61.41 1uwa n ILE 118 Cb 0.39 0.74 -0.04 0.00 -0.84 0.00 0.00 39.64 39.89 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 -2.13 1.20 0.00 9.51 0.23 -1.21 -4.99 119.30 121.90 1uwa s MET 119 Ca 0.01 -0.68 0.00 0.00 -1.03 0.00 0.00 55.69 53.99 1uwa s MET 119 Cb 0.06 0.51 0.00 0.00 -1.53 0.00 0.00 34.83 33.88 1uwa s MET 119 CO 0.37 -0.49 0.00 0.41 -2.03 0.00 0.00 175.02 173.28 1uwa n GLY 120 N -0.29 1.30 3.47 3.16 0.00 -1.26 -2.31 105.19 109.26 1uwa n GLY 120 Ca -0.15 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.98 -0.55 0.18 1.61 -0.71 -0.65 -4.44 117.98 112.44 1uwa s PHE 121 Ca 0.00 0.61 -0.30 0.00 -1.04 0.00 0.00 56.93 56.20 1uwa s PHE 121 Cb 0.00 0.50 -0.08 0.00 -1.21 0.00 0.00 43.02 42.23 1uwa s PHE 121 CO 0.00 -0.71 1.20 -1.17 -1.34 0.00 0.00 175.22 173.20 1uwa s LEU 122 N -2.09 4.44 -0.00 -1.99 2.96 -1.26 -1.31 118.68 119.43 1uwa s LEU 122 Ca -0.03 2.23 0.05 0.00 -0.22 0.00 0.00 54.13 56.15 1uwa s LEU 122 Cb -0.01 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1uwa s LEU 122 CO -0.04 -0.38 0.17 1.33 -1.32 0.00 0.00 176.35 176.11 1uwa n VAL 123 N 2.59 0.00 -3.72 1.68 0.24 0.92 -4.89 118.33 115.15 1uwa n VAL 123 Ca 0.05 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.34 61.89 1uwa n VAL 123 Cb 0.45 0.85 -0.10 0.00 -1.47 0.00 0.00 33.84 33.57 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 -1.64 0.53 0.09 7.34 0.74 -0.77 -4.95 119.66 121.00 1uwa s GLN 124 Ca 0.01 0.60 0.08 0.00 0.05 0.00 0.00 55.36 56.10 1uwa s GLN 124 Cb 0.03 0.26 -0.03 0.00 1.10 0.00 0.00 33.01 34.37 1uwa s GLN 124 CO 0.19 -0.07 -0.21 -0.98 -0.55 0.00 0.00 175.29 173.66 1uwa s ARG 125 N 0.18 1.22 0.52 1.67 1.70 -1.26 -1.56 118.95 121.41 1uwa s ARG 125 Ca -0.01 -1.12 -0.22 0.00 -0.47 0.00 0.00 55.73 53.91 1uwa s ARG 125 Cb -0.03 -1.47 -0.06 0.00 -0.57 0.00 0.00 34.95 32.82 1uwa s ARG 125 CO 0.01 0.35 1.24 -0.35 -1.08 0.00 0.00 175.30 175.47 1uwa n PRO 126 N 1.27 1.58 0.27 3.89 -0.04 -1.25 -4.88 135.00 135.84 1uwa n PRO 126 Ca -0.19 0.58 0.15 0.00 -0.04 0.00 0.00 63.50 63.99 1uwa n PRO 126 Cb 0.53 -2.41 0.73 0.00 -0.04 0.00 0.00 33.50 32.31 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 1.42 0.00 -0.03 0.54 1.79 -1.90 -2.67 116.57 115.72 1uwa h LYS 127 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1uwa h LYS 127 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1uwa h LYS 127 CO 0.57 0.10 0.00 -1.13 -1.08 0.00 0.00 179.45 177.90 1uwa n SER 128 N -3.39 0.87 -4.69 0.86 3.41 -1.26 -4.88 113.62 104.54 1uwa n SER 128 Ca -0.01 -1.36 -0.42 0.00 -0.26 0.00 0.00 58.87 56.82 1uwa n SER 128 Cb 0.27 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.97 3.60 -0.01 7.33 0.00 -1.01 -4.90 121.76 124.80 1uwa s ALA 129 Ca 0.39 0.97 0.01 0.00 0.00 0.00 0.00 51.96 53.33 1uwa s ALA 129 Cb 0.20 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1uwa s ALA 129 CO 0.32 -0.88 1.01 0.54 0.00 0.00 0.00 175.76 176.75 1uwa n ARG 130 N 5.12 2.92 -0.78 0.00 5.12 -1.26 -4.77 116.66 123.01 1uwa n ARG 130 Ca 0.13 -1.55 0.08 0.00 -1.93 0.00 0.00 57.85 54.58 1uwa n ARG 130 Cb 0.43 -1.02 0.39 0.00 -1.16 0.00 0.00 32.46 31.09 1uwa n ARG 130 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1uwa n ASP 131 N -0.54 5.33 -4.06 0.55 3.85 -1.26 -4.86 116.55 115.56 1uwa n ASP 131 Ca 0.01 -2.73 -0.10 0.00 -0.71 0.00 0.00 54.79 51.25 1uwa n ASP 131 Cb 0.27 -0.64 -0.11 0.00 -1.35 0.00 0.00 41.12 39.29 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 -2.38 0.56 0.01 2.11 1.48 -0.98 -0.95 118.94 118.80 1uwa s TRP 132 Ca 0.53 -0.67 0.02 0.00 -1.06 0.00 0.00 56.10 54.93 1uwa s TRP 132 Cb 0.38 -0.36 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 1uwa s TRP 132 CO 0.20 -0.17 0.00 -0.65 -4.06 0.00 0.00 176.95 172.27 1uwa s GLN 133 N -2.29 2.76 0.67 3.25 -1.52 -1.07 -4.83 119.66 116.63 1uwa s GLN 133 Ca -0.05 -0.64 -0.17 0.00 -1.95 0.00 0.00 55.36 52.55 1uwa s GLN 133 Cb -0.05 -2.66 0.01 0.00 -0.22 0.00 0.00 33.01 30.09 1uwa s GLN 133 CO -0.02 0.61 1.23 -1.25 -0.25 0.00 0.00 175.29 175.60 1uwa s PRO 134 N -1.69 2.48 0.30 2.91 0.04 -1.26 -4.86 135.00 132.91 1uwa s PRO 134 Ca 0.21 1.85 0.05 0.00 0.04 0.00 0.00 61.00 63.14 1uwa s PRO 134 Cb -0.12 -1.86 0.77 0.00 0.04 0.00 0.00 34.50 33.33 1uwa s PRO 134 CO 0.12 -1.59 1.68 0.00 0.04 0.00 0.00 177.00 177.25 1uwa h ALA 135 N 0.24 1.46 0.00 8.56 0.00 -1.98 -0.62 119.26 126.93 1uwa h ALA 135 Ca -0.49 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1uwa h ALA 135 Cb 1.31 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1uwa h ALA 135 CO 0.52 -0.39 0.00 0.27 0.00 0.00 0.00 179.25 179.65 1uwa n ASN 136 N -5.08 0.00 -0.42 0.00 6.94 -1.26 -3.06 115.26 112.38 1uwa n ASN 136 Ca 0.23 -0.44 0.05 0.00 -0.02 0.00 0.00 54.58 54.40 1uwa n ASN 136 Cb 0.70 -0.19 0.12 0.00 -2.36 0.00 0.00 39.78 38.05 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 -1.19 2.74 0.15 -3.83 5.02 -0.25 -4.63 118.16 116.16 1uwa n LYS 137 Ca 0.18 -2.08 0.01 0.00 -2.02 0.00 0.00 58.31 54.40 1uwa n LYS 137 Cb 0.19 -1.31 0.17 0.00 -0.02 0.00 0.00 35.03 34.06 1uwa n LYS 137 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uwa h ARG 138 N 1.13 0.00 -5.82 1.97 3.08 -1.45 -3.44 114.38 109.84 1uwa h ARG 138 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1uwa h ARG 138 Cb 0.81 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.67 1uwa h ARG 138 CO 0.04 0.56 -0.78 -1.54 -1.07 0.00 0.00 179.97 177.17 1uwa s SER 139 N -6.59 2.45 0.00 7.04 1.04 -1.26 -1.11 113.70 115.27 1uwa s SER 139 Ca 0.01 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1uwa s SER 139 Cb 0.11 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1uwa s SER 139 CO 0.74 -0.05 0.15 1.33 0.98 0.00 0.00 173.24 176.39