#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfw n LEU 2 N 0.00 0.07 -0.34 0.00 -0.00 -1.26 -4.16 117.00 111.31 1sfw n LEU 2 Ca 0.00 0.01 0.26 0.00 -0.00 0.00 0.00 56.01 56.28 1sfw n LEU 2 Cb 0.00 -0.15 0.55 0.00 -0.00 0.00 0.00 43.42 43.82 1sfw n LEU 2 CO 0.00 -0.15 1.23 4.11 -0.00 0.00 0.00 177.39 182.58 1sfw h TRP 3 N 0.00 0.58 0.04 1.96 0.09 -1.99 -0.70 115.95 115.92 1sfw h TRP 3 Ca 0.00 0.02 -0.12 0.00 0.09 0.00 0.00 58.89 58.88 1sfw h TRP 3 Cb 0.00 -0.16 0.01 0.00 0.08 0.00 0.00 29.16 29.09 1sfw h TRP 3 CO 0.00 0.01 -0.51 0.37 0.09 0.00 0.00 178.44 178.40 1sfw h GLN 4 N 0.31 0.27 -0.73 0.12 4.15 -1.95 -3.33 115.11 113.94 1sfw h GLN 4 Ca 0.63 -0.35 0.22 0.00 0.77 0.00 0.00 58.65 59.93 1sfw h GLN 4 Cb 1.74 0.11 -0.14 0.00 0.21 0.00 0.00 27.48 29.41 1sfw h GLN 4 CO -0.29 1.08 0.10 0.34 -1.93 0.00 0.00 178.83 178.13 1sfw n PHE 5 N -4.31 0.55 -0.01 3.99 7.35 -0.33 -2.49 117.46 122.22 1sfw n PHE 5 Ca -0.11 0.88 0.21 0.00 -0.76 0.00 0.00 57.45 57.66 1sfw n PHE 5 Cb 0.65 -1.10 0.69 0.00 0.35 0.00 0.00 39.48 40.07 1sfw n PHE 5 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1sfw h ARG 6 N 0.00 0.00 -0.05 -4.13 2.47 -1.52 -3.35 114.38 107.80 1sfw h ARG 6 Ca 0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.20 1sfw h ARG 6 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1sfw h ARG 6 CO -0.66 0.00 0.00 0.43 0.56 0.00 0.00 179.97 180.30 1sfw n SER 7 N -4.36 0.68 -0.12 7.04 7.64 -1.04 -0.79 113.62 122.67 1sfw n SER 7 Ca 0.10 -1.44 -0.25 0.00 1.01 0.00 0.00 58.87 58.30 1sfw n SER 7 Cb 0.63 -0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.68 1sfw n SER 7 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1sfw n MET 8 N -0.38 0.62 -0.27 1.43 -0.00 -1.26 -3.46 117.12 113.80 1sfw n MET 8 Ca 0.17 0.28 0.33 0.00 -0.00 0.00 0.00 57.70 58.48 1sfw n MET 8 Cb 0.19 -1.56 0.71 0.00 -0.00 0.00 0.00 33.22 32.55 1sfw n MET 8 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1sfw h ILE 9 N -0.64 0.28 0.00 3.17 1.08 -1.09 0.20 117.51 120.50 1sfw h ILE 9 Ca -0.59 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1sfw h ILE 9 Cb 1.68 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1sfw h ILE 9 CO -0.26 0.00 -1.43 2.29 -0.69 0.00 0.00 178.15 178.06 1sfw n LYS 10 N -3.89 0.90 -0.06 2.37 -0.00 -0.24 -4.40 118.16 112.84 1sfw n LYS 10 Ca 0.24 -0.10 -0.22 0.00 -0.00 0.00 0.00 58.31 58.22 1sfw n LYS 10 Cb 1.26 -1.34 -0.12 0.00 -0.00 0.00 0.00 35.03 34.83 1sfw n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sfw n ALA 12 N -3.31 0.96 -2.84 0.00 0.00 0.58 -4.01 120.51 111.89 1sfw n ALA 12 Ca -0.35 0.33 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 1sfw n ALA 12 Cb 0.88 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 19.65 1sfw n ALA 12 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sfw s ILE 13 N -4.34 4.67 -1.22 0.00 -1.09 -1.25 -4.87 121.20 113.11 1sfw s ILE 13 Ca -0.03 -0.08 -0.19 0.00 -2.23 0.00 0.00 60.65 58.12 1sfw s ILE 13 Cb 0.14 -3.10 -0.02 0.00 -1.58 0.00 0.00 42.46 37.90 1sfw s ILE 13 CO 0.45 0.46 1.90 -0.81 -1.23 0.00 0.00 174.94 175.72 1sfw n PRO 14 N 3.54 2.41 -1.05 2.79 -0.05 -1.26 -4.71 135.00 136.67 1sfw n PRO 14 Ca -0.17 -2.73 0.00 0.00 -0.05 0.00 0.00 63.50 60.55 1sfw n PRO 14 Cb 0.52 -3.47 0.00 0.00 -0.05 0.00 0.00 33.50 30.51 1sfw n PRO 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1sfw n GLY 15 N 5.21 5.03 0.00 0.55 0.00 -1.25 -5.14 105.19 109.59 1sfw n GLY 15 Ca 0.48 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1sfw n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sfw n SER 16 N -1.22 0.00 -4.66 1.61 2.88 -1.26 -5.04 113.62 105.92 1sfw n SER 16 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1sfw n SER 16 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1sfw n SER 16 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1sfw s HIS 17 N 2.37 2.17 0.06 0.66 0.00 -1.26 -4.78 115.29 114.52 1sfw s HIS 17 Ca 0.00 0.33 -0.31 0.00 -3.00 0.00 0.00 55.06 52.08 1sfw s HIS 17 Cb 0.00 -3.86 -0.18 0.00 -4.00 0.00 0.00 32.58 24.54 1sfw s HIS 17 CO 0.00 -3.53 1.57 -1.00 -1.00 0.00 0.00 174.74 170.78 1sfw h PRO 18 N 9.16 -0.75 0.00 -0.38 0.14 -1.88 -3.41 132.00 134.87 1sfw h PRO 18 Ca -0.38 0.05 0.00 0.00 0.14 0.00 0.00 66.00 65.81 1sfw h PRO 18 Cb 1.17 0.17 0.00 0.00 0.14 0.00 0.00 31.00 32.48 1sfw h PRO 18 CO 0.95 -0.48 0.00 1.28 0.14 0.00 0.00 178.00 179.89 1sfw n LEU 19 N -5.41 0.00 0.00 1.56 4.77 -1.26 -4.63 117.00 112.03 1sfw n LEU 19 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1sfw n LEU 19 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1sfw n LEU 19 CO 0.37 0.00 0.00 0.23 -1.33 0.00 0.00 177.39 176.66 1sfw n MET 20 N 0.00 0.00 0.00 3.23 2.81 -1.26 -2.27 117.12 119.63 1sfw n MET 20 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.90 1sfw n MET 20 Cb 0.00 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 32.56 1sfw n MET 20 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1sfw n ASP 21 N 0.00 0.00 0.00 7.83 2.03 -1.26 -4.27 116.55 120.88 1sfw n ASP 21 Ca 0.00 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1sfw n ASP 21 Cb 0.00 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1sfw n ASP 21 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1sfw n PHE 22 N -1.18 0.00 -0.31 -0.67 3.01 -0.96 -4.68 117.46 112.67 1sfw n PHE 22 Ca 0.01 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.62 1sfw n PHE 22 Cb 0.01 0.00 0.31 0.00 -0.01 0.00 0.00 39.48 39.79 1sfw n PHE 22 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1sfw h ASN 23 N 0.00 -0.09 -3.30 4.37 -1.24 -1.73 -3.15 115.58 110.44 1sfw h ASN 23 Ca 0.00 0.22 -0.62 0.00 0.71 0.00 0.00 56.30 56.61 1sfw h ASN 23 Cb 0.00 0.32 -0.41 0.00 0.73 0.00 0.00 38.32 38.96 1sfw h ASN 23 CO 0.00 -0.23 -0.64 0.20 -1.29 0.00 0.00 177.43 175.48 1sfw s ASN 24 N -5.03 4.28 -0.39 1.15 -0.87 -1.26 -3.05 114.94 109.77 1sfw s ASN 24 Ca -0.12 -3.52 0.03 0.00 -1.57 0.00 0.00 52.86 47.68 1sfw s ASN 24 Cb 0.27 -1.46 0.18 0.00 -0.02 0.00 0.00 41.25 40.22 1sfw s ASN 24 CO 0.77 -0.14 0.77 -0.47 -2.57 0.00 0.00 177.10 175.46 1sfw s TYR 25 N -0.93 -1.31 0.00 2.20 6.14 -1.19 -2.40 117.35 119.86 1sfw s TYR 25 Ca 0.24 0.15 0.00 0.00 0.64 0.00 0.00 57.07 58.10 1sfw s TYR 25 Cb -0.09 0.24 0.00 0.00 0.42 0.00 0.00 41.96 42.53 1sfw s TYR 25 CO -0.12 -0.90 0.00 0.41 0.64 0.00 0.00 175.55 175.58 1sfw n GLY 26 N 4.09 1.64 3.82 8.97 0.00 -1.26 -4.59 105.19 117.86 1sfw n GLY 26 Ca 0.10 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1sfw n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfw n TYR 28 N -0.53 0.00 -1.76 0.00 4.11 -1.26 -4.82 117.16 112.89 1sfw n TYR 28 Ca -0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 57.90 57.44 1sfw n TYR 28 Cb 0.60 -0.14 -0.03 0.00 -0.00 0.00 0.00 39.34 39.77 1sfw n TYR 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1sfw n GLY 30 N 5.84 1.43 0.00 0.00 0.00 -1.26 -2.74 105.19 108.46 1sfw n GLY 30 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1sfw n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sfw n LEU 31 N 0.00 0.00 0.00 0.99 7.94 -1.16 -4.96 117.00 119.81 1sfw n LEU 31 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1sfw n LEU 31 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1sfw n LEU 31 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1sfw n GLY 32 N 3.70 -0.08 0.00 -3.96 0.00 -1.17 -4.42 105.19 99.26 1sfw n GLY 32 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1sfw n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfw n GLY 33 N 0.00 2.75 0.00 -0.02 0.00 -1.26 -4.45 105.19 102.21 1sfw n GLY 33 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1sfw n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sfw n SER 34 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.68 113.62 112.17 1sfw n SER 34 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sfw n SER 34 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1sfw n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sfw n GLY 35 N -0.27 -1.98 3.25 0.46 0.00 -1.26 -5.10 105.19 100.28 1sfw n GLY 35 Ca 0.00 0.58 -0.22 0.00 0.00 0.00 0.00 46.02 46.38 1sfw n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sfw s THR 36 N -1.01 1.50 0.00 2.61 -4.23 -1.26 -4.94 115.64 108.31 1sfw s THR 36 Ca 0.00 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1sfw s THR 36 Cb 0.00 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.44 1sfw s THR 36 CO 0.00 -0.14 0.00 -0.81 -0.54 0.00 0.00 174.62 173.13 1sfw n PRO 37 N 1.10 0.41 0.09 3.99 -0.04 -1.26 -4.95 135.00 134.35 1sfw n PRO 37 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1sfw n PRO 37 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1sfw n PRO 37 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1sfw n VAL 38 N -1.19 0.61 -2.55 0.52 0.24 -1.26 -5.04 118.33 109.66 1sfw n VAL 38 Ca 0.00 0.20 -0.26 0.00 -2.04 0.00 0.00 64.34 62.24 1sfw n VAL 38 Cb 0.00 -1.07 0.02 0.00 -1.47 0.00 0.00 33.84 31.33 1sfw n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sfw s ASP 39 N -5.50 5.72 0.23 -1.34 2.15 -1.26 -4.96 116.67 111.72 1sfw s ASP 39 Ca 0.00 0.64 -0.06 0.00 0.43 0.00 0.00 52.55 53.56 1sfw s ASP 39 Cb 0.00 -1.73 0.40 0.00 -0.30 0.00 0.00 42.92 41.29 1sfw s ASP 39 CO 0.00 -0.93 1.71 -0.08 -0.17 0.00 0.00 175.17 175.71 1sfw h GLU 40 N -0.00 0.34 -0.66 4.34 4.57 -1.97 -2.10 114.58 119.10 1sfw h GLU 40 Ca -0.46 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 57.76 1sfw h GLU 40 Cb 1.25 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.71 1sfw h GLU 40 CO 0.60 0.23 0.37 1.25 -1.18 0.00 0.00 179.01 180.27 1sfw h LEU 41 N 0.35 0.55 -2.23 1.64 6.46 -1.93 -1.83 115.31 118.33 1sfw h LEU 41 Ca 0.38 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1sfw h LEU 41 Cb 0.58 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1sfw h LEU 41 CO -0.42 0.36 0.00 0.44 -0.62 0.00 0.00 178.44 178.20 1sfw h ASP 42 N 0.68 0.00 -0.14 1.25 5.19 -1.85 -3.27 116.42 118.28 1sfw h ASP 42 Ca 0.29 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.67 1sfw h ASP 42 Cb 0.17 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 1sfw h ASP 42 CO -0.18 0.00 -0.03 0.03 -3.12 0.00 0.00 179.24 175.94 1sfw h ARG 43 N 0.00 0.26 0.00 3.56 2.47 -0.63 0.19 114.38 120.23 1sfw h ARG 43 Ca 0.00 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1sfw h ARG 43 Cb 0.24 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1sfw h ARG 43 CO 0.00 0.55 -0.02 0.00 0.56 0.00 0.00 179.97 181.06 1sfw h GLU 46 N 0.00 0.32 0.00 0.00 4.22 0.10 -3.38 114.58 115.83 1sfw h GLU 46 Ca -0.01 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.25 1sfw h GLU 46 Cb 1.07 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1sfw h GLU 46 CO 0.01 0.74 0.00 2.41 -2.18 0.00 0.00 179.01 179.99 1sfw n THR 47 N -3.97 0.00 -0.27 0.32 -1.04 -1.06 -3.25 114.28 105.00 1sfw n THR 47 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1sfw n THR 47 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 1sfw n THR 47 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1sfw n HIS 48 N 0.00 0.00 0.00 -1.42 -0.00 0.32 -2.60 115.22 111.52 1sfw n HIS 48 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1sfw n HIS 48 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1sfw n HIS 48 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1sfw n ASP 49 N 0.07 0.00 0.12 0.26 9.92 -1.26 -4.36 116.55 121.29 1sfw n ASP 49 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1sfw n ASP 49 Cb 0.00 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.56 1sfw n ASP 49 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1sfw h ASN 50 N 0.00 0.00 -0.58 -2.24 2.35 -1.48 -2.19 115.58 111.44 1sfw h ASN 50 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sfw h ASN 50 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1sfw h ASN 50 CO 0.00 0.69 0.00 0.00 -1.65 0.00 0.00 177.43 176.47 1sfw n TYR 52 N 0.74 0.05 -0.32 0.00 9.36 -1.01 -4.46 117.16 121.52 1sfw n TYR 52 Ca 0.26 0.02 0.07 0.00 3.32 0.00 0.00 57.90 61.57 1sfw n TYR 52 Cb 1.08 -1.01 0.15 0.00 -0.63 0.00 0.00 39.34 38.94 1sfw n TYR 52 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1sfw n ARG 53 N -4.10 -0.08 0.02 2.98 0.00 -0.86 -4.20 116.66 110.43 1sfw n ARG 53 Ca -0.53 1.38 0.21 0.00 -0.00 0.00 0.00 57.85 58.91 1sfw n ARG 53 Cb 0.90 -2.09 0.57 0.00 -0.00 0.00 0.00 32.46 31.84 1sfw n ARG 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1sfw h ASP 54 N 0.00 0.00 -1.09 2.89 2.03 -1.80 -0.82 116.42 117.63 1sfw h ASP 54 Ca 0.45 0.00 0.40 0.00 -0.73 0.00 0.00 57.03 57.15 1sfw h ASP 54 Cb 0.75 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.12 1sfw h ASP 54 CO -0.90 0.00 0.67 0.00 -1.03 0.00 0.00 179.24 177.98 1sfw n ALA 55 N -2.17 1.09 -0.22 4.15 0.00 -1.26 -1.51 120.51 120.58 1sfw n ALA 55 Ca 0.12 0.79 0.01 0.00 0.00 0.00 0.00 53.44 54.37 1sfw n ALA 55 Cb 0.99 -0.91 0.13 0.00 0.00 0.00 0.00 19.45 19.66 1sfw n ALA 55 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1sfw h LYS 56 N 0.00 0.39 0.00 0.00 -0.00 -0.95 -3.37 116.57 112.64 1sfw h LYS 56 Ca 0.75 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 61.38 1sfw h LYS 56 Cb 2.29 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 34.43 1sfw h LYS 56 CO -0.49 0.26 -0.31 -1.71 -0.00 0.00 0.00 179.45 177.21 1sfw n ASN 57 N -5.01 0.98 -1.25 7.07 5.15 -0.98 -4.03 115.26 117.19 1sfw n ASN 57 Ca 0.10 0.42 0.08 0.00 -0.60 0.00 0.00 54.58 54.58 1sfw n ASN 57 Cb 0.31 -0.69 -0.04 0.00 -0.53 0.00 0.00 39.78 38.83 1sfw n ASN 57 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1sfw n LEU 58 N -3.52 -0.87 0.26 1.20 7.94 -0.57 -3.35 117.00 118.08 1sfw n LEU 58 Ca -0.04 1.79 0.13 0.00 -1.11 0.00 0.00 56.01 56.77 1sfw n LEU 58 Cb 0.16 -2.63 0.69 0.00 0.53 0.00 0.00 43.42 42.17 1sfw n LEU 58 CO 0.06 -1.17 0.95 0.44 -1.11 0.00 0.00 177.39 176.56 1sfw h ASP 59 N -0.84 0.00 0.00 1.96 3.32 -1.95 -3.39 116.42 115.53 1sfw h ASP 59 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1sfw h ASP 59 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1sfw h ASP 59 CO 0.04 0.13 -0.27 -0.24 -1.72 0.00 0.00 179.24 177.18 1sfw n SER 60 N -3.55 1.35 -3.78 6.45 2.88 -1.26 -5.02 113.62 110.69 1sfw n SER 60 Ca -0.01 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.23 1sfw n SER 60 Cb 0.27 0.14 -0.13 0.00 -0.75 0.00 0.00 64.21 63.73 1sfw n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw h LYS 62 N 6.84 0.00 0.00 0.00 1.63 -1.71 -3.31 116.57 120.02 1sfw h LYS 62 Ca -0.04 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.49 1sfw h LYS 62 Cb 0.93 0.00 0.12 0.00 -0.60 0.00 0.00 32.23 32.68 1sfw h LYS 62 CO 0.53 0.52 0.19 1.97 -3.45 0.00 0.00 179.45 179.21 1sfw n PHE 63 N -3.13 -3.82 -0.63 1.91 -1.74 -1.26 -4.58 117.46 104.21 1sfw n PHE 63 Ca -0.03 -0.72 -0.11 0.00 -0.56 0.00 0.00 57.45 56.03 1sfw n PHE 63 Cb 0.82 -0.71 0.08 0.00 1.52 0.00 0.00 39.48 41.19 1sfw n PHE 63 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1sfw n LEU 64 N 0.00 -1.64 0.00 5.98 4.32 -1.26 -4.74 117.00 119.66 1sfw n LEU 64 Ca 0.11 -0.23 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 1sfw n LEU 64 Cb 0.39 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 1sfw n LEU 64 CO 0.27 -2.73 0.00 1.33 -1.22 0.00 0.00 177.39 175.04 1sfw n VAL 65 N -3.80 0.00 -2.87 4.08 0.24 -1.26 -4.87 118.33 109.84 1sfw n VAL 65 Ca 0.03 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.90 1sfw n VAL 65 Cb 0.22 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.55 1sfw n VAL 65 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1sfw s ASP 66 N 0.00 6.26 0.00 -1.34 -4.77 -1.26 -4.87 116.67 110.68 1sfw s ASP 66 Ca 0.00 -1.20 0.00 0.00 -3.30 0.00 0.00 52.55 48.05 1sfw s ASP 66 Cb 0.00 -2.41 0.00 0.00 -1.09 0.00 0.00 42.92 39.42 1sfw s ASP 66 CO 0.00 -1.37 0.00 0.59 0.70 0.00 0.00 175.17 175.09 1sfw n ASN 67 N 7.49 0.00 -0.03 2.11 3.02 -1.26 -2.75 115.26 123.83 1sfw n ASN 67 Ca 0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.45 1sfw n ASN 67 Cb 0.46 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.53 1sfw n ASN 67 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1sfw h PRO 68 N 0.00 -0.04 -3.06 3.52 0.13 -1.84 -3.32 132.00 127.39 1sfw h PRO 68 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.86 1sfw h PRO 68 Cb 0.00 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 30.79 1sfw h PRO 68 CO 0.00 0.65 -0.61 0.71 -0.23 0.00 0.00 178.00 178.52 1sfw s TYR 69 N -2.69 -0.23 0.00 1.56 2.02 -1.26 -4.35 117.35 112.41 1sfw s TYR 69 Ca -0.15 0.67 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 1sfw s TYR 69 Cb -0.01 -0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.36 1sfw s TYR 69 CO 0.56 -0.27 0.00 0.25 -1.57 0.00 0.00 175.55 174.52 1sfw n THR 70 N 5.17 0.00 0.00 -0.71 -2.24 -1.26 -4.81 114.28 110.43 1sfw n THR 70 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1sfw n THR 70 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1sfw n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sfw n GLU 71 N 0.00 0.00 -3.63 -0.78 -0.58 -1.26 -4.36 120.64 110.03 1sfw n GLU 71 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1sfw n GLU 71 Cb 0.00 -0.44 -0.03 0.00 -0.57 0.00 0.00 31.44 30.41 1sfw n GLU 71 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1sfw s SER 72 N -2.34 -0.39 -0.01 1.62 0.15 -1.26 -4.49 113.70 106.98 1sfw s SER 72 Ca 0.00 -0.30 -0.29 0.00 0.70 0.00 0.00 55.95 56.06 1sfw s SER 72 Cb 0.00 0.62 0.10 0.00 -1.71 0.00 0.00 66.02 65.03 1sfw s SER 72 CO 0.00 -1.08 1.05 -0.31 1.20 0.00 0.00 173.24 174.10 1sfw s TYR 73 N -3.83 -0.19 -0.46 3.44 1.51 -1.26 -2.13 117.35 114.43 1sfw s TYR 73 Ca 0.06 0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.19 1sfw s TYR 73 Cb -0.02 0.56 0.22 0.00 -0.11 0.00 0.00 41.96 42.61 1sfw s TYR 73 CO -0.05 -0.49 0.90 0.45 -1.11 0.00 0.00 175.55 175.25 1sfw n SER 74 N -0.31 -2.73 -3.42 2.29 2.88 -1.07 -4.89 113.62 106.36 1sfw n SER 74 Ca -0.06 -2.67 -0.12 0.00 -1.33 0.00 0.00 58.87 54.69 1sfw n SER 74 Cb 0.61 1.53 0.06 0.00 -0.75 0.00 0.00 64.21 65.65 1sfw n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw n TYR 75 N 2.24 -3.01 -0.03 0.66 4.11 -1.16 -3.68 117.16 116.29 1sfw n TYR 75 Ca 0.12 -0.99 0.00 0.00 -0.00 0.00 0.00 57.90 57.02 1sfw n TYR 75 Cb 0.62 -0.37 0.00 0.00 -0.00 0.00 0.00 39.34 39.59 1sfw n TYR 75 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1sfw n SER 76 N -2.87 0.18 -4.77 9.48 2.88 -1.26 -4.97 113.62 112.29 1sfw n SER 76 Ca 0.09 -0.55 -0.39 0.00 -1.33 0.00 0.00 58.87 56.69 1sfw n SER 76 Cb 0.32 0.68 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 1sfw n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw n SER 78 N -0.12 0.00 -0.20 0.00 2.88 -1.04 -4.94 113.62 110.20 1sfw n SER 78 Ca 0.05 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.56 1sfw n SER 78 Cb 0.44 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.94 1sfw n SER 78 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1sfw h ASN 79 N 0.00 -0.82 0.00 -3.46 2.35 -1.95 -3.43 115.58 108.26 1sfw h ASN 79 Ca 0.00 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1sfw h ASN 79 Cb 0.00 0.47 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1sfw h ASN 79 CO 0.00 -0.26 0.00 0.35 -1.65 0.00 0.00 177.43 175.87 1sfw n THR 80 N -5.44 0.00 -3.44 2.81 -2.24 -1.26 -4.92 114.28 99.79 1sfw n THR 80 Ca 0.06 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 1sfw n THR 80 Cb 0.34 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 1sfw n THR 80 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sfw s GLU 81 N -0.34 4.08 0.00 -0.78 2.02 -1.26 -1.94 118.70 120.47 1sfw s GLU 81 Ca 0.00 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.41 1sfw s GLU 81 Cb 0.00 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1sfw s GLU 81 CO 0.00 0.51 0.00 -0.89 0.02 0.00 0.00 175.26 174.90 1sfw n ILE 82 N 2.43 0.00 0.00 -1.63 -0.00 -1.26 -2.48 119.36 116.42 1sfw n ILE 82 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 1sfw n ILE 82 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.16 1sfw n ILE 82 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1sfw n THR 83 N 0.00 0.00 0.00 1.39 5.66 -1.26 -4.94 114.28 115.13 1sfw n THR 83 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1sfw n THR 83 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1sfw n THR 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sfw n ASN 85 N 0.00 1.78 -2.72 0.00 2.04 -1.26 -2.61 115.26 112.49 1sfw n ASN 85 Ca 0.00 -0.96 -0.05 0.00 -0.44 0.00 0.00 54.58 53.13 1sfw n ASN 85 Cb 0.00 0.00 0.06 0.00 -2.53 0.00 0.00 39.78 37.31 1sfw n ASN 85 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1sfw n SER 86 N -1.17 0.66 -2.59 0.53 7.64 -1.24 -4.76 113.62 112.69 1sfw n SER 86 Ca 0.00 -2.41 -0.03 0.00 1.01 0.00 0.00 58.87 57.44 1sfw n SER 86 Cb 0.00 -0.15 0.11 0.00 -1.01 0.00 0.00 64.21 63.17 1sfw n SER 86 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1sfw n LYS 87 N -0.47 1.20 -1.48 1.43 0.00 -1.26 -5.10 118.16 112.49 1sfw n LYS 87 Ca 0.04 -1.22 -0.44 0.00 -0.00 0.00 0.00 58.31 56.69 1sfw n LYS 87 Cb 0.82 0.30 -0.10 0.00 -0.00 0.00 0.00 35.03 36.05 1sfw n LYS 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1sfw n ASN 88 N -1.23 1.30 -4.42 -5.58 0.23 -1.26 -4.81 115.26 99.48 1sfw n ASN 88 Ca -0.14 0.10 -0.30 0.00 -0.53 0.00 0.00 54.58 53.71 1sfw n ASN 88 Cb 0.84 -1.17 -0.13 0.00 -2.08 0.00 0.00 39.78 37.24 1sfw n ASN 88 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1sfw s ASN 89 N 9.18 3.57 0.44 0.53 0.01 -1.26 -4.97 114.94 122.44 1sfw s ASN 89 Ca 1.18 -0.57 0.10 0.00 -0.71 0.00 0.00 52.86 52.86 1sfw s ASN 89 Cb -0.90 -0.43 0.98 0.00 0.41 0.00 0.00 41.25 41.30 1sfw s ASN 89 CO 0.45 0.22 2.06 0.00 -1.51 0.00 0.00 177.10 178.31 1sfw h ALA 90 N 4.23 1.84 -0.87 0.60 0.00 -1.94 0.20 119.26 123.31 1sfw h ALA 90 Ca -0.49 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 54.63 1sfw h ALA 90 Cb 1.16 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.67 1sfw h ALA 90 CO 0.44 0.12 -0.04 0.00 0.00 0.00 0.00 179.25 179.77 1sfw n GLU 92 N -5.31 0.23 -0.12 0.00 0.28 -0.67 -4.47 120.64 110.58 1sfw n GLU 92 Ca 0.19 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1sfw n GLU 92 Cb 0.62 -1.07 0.27 0.00 1.43 0.00 0.00 31.44 32.69 1sfw n GLU 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sfw h ALA 93 N -1.53 1.43 -0.26 -1.84 0.00 -1.08 -0.76 119.26 115.22 1sfw h ALA 93 Ca 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1sfw h ALA 93 Cb 0.35 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1sfw h ALA 93 CO 0.00 0.46 -0.53 0.35 0.00 0.00 0.00 179.25 179.53 1sfw h PHE 94 N 0.80 0.96 -0.42 0.00 3.04 -1.26 -2.12 116.94 117.93 1sfw h PHE 94 Ca 0.20 -0.33 -0.07 0.00 3.98 0.00 0.00 57.97 61.74 1sfw h PHE 94 Cb 0.06 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 1sfw h PHE 94 CO 0.01 1.13 -0.03 0.82 -2.02 0.00 0.00 178.31 178.21 1sfw h ILE 95 N 0.59 1.27 -0.95 1.41 5.03 -1.54 -2.77 117.51 120.56 1sfw h ILE 95 Ca 0.02 -1.08 0.23 0.00 -0.12 0.00 0.00 64.86 63.91 1sfw h ILE 95 Cb 1.11 1.12 -0.12 0.00 -3.03 0.00 0.00 36.82 35.90 1sfw h ILE 95 CO 0.11 0.37 0.50 0.00 -0.68 0.00 0.00 178.15 178.44 1sfw h ASN 97 N 0.51 0.74 -0.29 0.00 -1.24 -1.08 -2.14 115.58 112.08 1sfw h ASN 97 Ca 0.59 -0.32 -0.13 0.00 0.71 0.00 0.00 56.30 57.15 1sfw h ASN 97 Cb 1.11 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.95 1sfw h ASN 97 CO -0.49 0.89 -0.29 0.00 -1.29 0.00 0.00 177.43 176.25 1sfw h ASP 99 N 0.68 0.43 0.60 0.00 3.32 -1.40 -0.26 116.42 119.79 1sfw h ASP 99 Ca 0.08 0.07 -0.28 0.00 0.02 0.00 0.00 57.03 56.92 1sfw h ASP 99 Cb 0.82 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1sfw h ASP 99 CO 0.07 0.24 -1.39 0.08 -1.72 0.00 0.00 179.24 176.51 1sfw h ARG 100 N 0.57 0.17 0.00 3.56 -0.00 -1.45 -1.76 114.38 115.47 1sfw h ARG 100 Ca 0.35 -0.30 0.00 0.00 -0.00 0.00 0.00 59.98 60.04 1sfw h ARG 100 Cb 0.40 0.11 0.00 0.00 -0.00 0.00 0.00 29.97 30.48 1sfw h ARG 100 CO -0.28 1.04 0.00 0.09 -0.00 0.00 0.00 179.97 180.81 1sfw n ASN 101 N -3.40 0.00 0.02 0.08 4.13 -0.60 -2.39 115.26 113.10 1sfw n ASN 101 Ca -0.12 0.22 -0.08 0.00 1.68 0.00 0.00 54.58 56.28 1sfw n ASN 101 Cb 1.02 -0.37 -0.13 0.00 -1.54 0.00 0.00 39.78 38.76 1sfw n ASN 101 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sfw h ALA 102 N 2.72 0.60 0.00 5.41 0.00 -0.92 -1.96 119.26 125.11 1sfw h ALA 102 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1sfw h ALA 102 Cb 0.21 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sfw h ALA 102 CO 0.00 1.42 0.00 0.00 0.00 0.00 0.00 179.25 180.67 1sfw h ALA 103 N 1.02 1.00 0.03 0.00 0.00 -0.95 0.11 119.26 120.47 1sfw h ALA 103 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.43 1sfw h ALA 103 Cb 1.90 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 1sfw h ALA 103 CO 0.10 0.00 -1.72 -0.89 0.00 0.00 0.00 179.25 176.74 1sfw n ILE 104 N -3.06 1.60 -0.19 0.00 -0.00 -1.19 -0.94 119.36 115.57 1sfw n ILE 104 Ca -0.03 -0.28 -0.07 0.00 -0.00 0.00 0.00 62.75 62.37 1sfw n ILE 104 Cb 0.07 -1.90 0.03 0.00 -0.00 0.00 0.00 39.64 37.84 1sfw n ILE 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1sfw h PHE 106 N 0.75 0.68 0.00 0.00 0.04 -0.92 -2.50 116.94 114.99 1sfw h PHE 106 Ca 0.20 -0.50 0.00 0.00 2.80 0.00 0.00 57.97 60.47 1sfw h PHE 106 Cb 0.02 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1sfw h PHE 106 CO -0.02 1.57 0.00 0.66 -0.60 0.00 0.00 178.31 179.92 1sfw h SER 107 N 0.10 0.00 0.00 2.17 4.64 -1.22 -3.45 113.55 115.79 1sfw h SER 107 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1sfw h SER 107 Cb 2.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.18 1sfw h SER 107 CO 0.19 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.44 1sfw n LYS 108 N -2.51 0.00 0.00 4.77 2.85 -1.22 -4.95 118.16 117.10 1sfw n LYS 108 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1sfw n LYS 108 Cb 0.27 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.65 1sfw n LYS 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1sfw n ALA 109 N -1.60 0.00 -2.36 0.58 0.00 -0.94 -3.54 120.51 112.66 1sfw n ALA 109 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1sfw n ALA 109 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sfw n ALA 109 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sfw n PRO 110 N 0.00 3.45 -1.07 0.00 -0.02 -1.26 -5.03 135.00 131.08 1sfw n PRO 110 Ca 0.00 -3.43 -0.32 0.00 -2.02 0.00 0.00 63.50 57.72 1sfw n PRO 110 Cb 0.00 -3.02 0.13 0.00 -0.02 0.00 0.00 33.50 30.58 1sfw n PRO 110 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1sfw s TYR 111 N 1.16 1.94 -0.28 6.00 5.04 -1.23 -4.14 117.35 125.84 1sfw s TYR 111 Ca 0.42 1.68 0.01 0.00 -2.44 0.00 0.00 57.07 56.74 1sfw s TYR 111 Cb 0.08 -3.34 0.15 0.00 0.35 0.00 0.00 41.96 39.20 1sfw s TYR 111 CO -0.01 -2.56 0.39 -0.80 -1.34 0.00 0.00 175.55 171.24 1sfw s ASN 112 N -2.56 0.43 -1.27 4.32 -0.87 -1.26 -4.99 114.94 108.74 1sfw s ASN 112 Ca 0.69 -0.25 -0.06 0.00 -1.57 0.00 0.00 52.86 51.67 1sfw s ASN 112 Cb -0.24 1.07 0.16 0.00 -0.02 0.00 0.00 41.25 42.22 1sfw s ASN 112 CO 0.53 -0.34 2.17 2.29 -2.57 0.00 0.00 177.10 179.18 1sfw n LYS 113 N 5.35 4.47 0.17 -0.60 -0.00 -1.26 -3.99 118.16 122.31 1sfw n LYS 113 Ca -0.01 -3.65 0.00 0.00 -0.00 0.00 0.00 58.31 54.65 1sfw n LYS 113 Cb 0.49 -2.67 0.00 0.00 -0.00 0.00 0.00 35.03 32.85 1sfw n LYS 113 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1sfw n GLU 114 N 1.98 0.00 -2.92 -1.58 4.07 -1.26 -4.77 120.64 116.16 1sfw n GLU 114 Ca 0.54 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 57.21 1sfw n GLU 114 Cb 0.28 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.66 1sfw n GLU 114 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1sfw n HIS 115 N -3.30 3.46 -3.49 4.31 1.44 -1.26 -4.96 115.22 111.42 1sfw n HIS 115 Ca 0.00 -3.03 -0.27 0.00 -2.01 0.00 0.00 57.72 52.41 1sfw n HIS 115 Cb 0.00 -1.64 -0.03 0.00 0.12 0.00 0.00 29.99 28.45 1sfw n HIS 115 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1sfw s LYS 116 N -1.17 3.55 0.00 -1.40 2.47 -1.26 -4.08 119.74 117.85 1sfw s LYS 116 Ca 0.34 -0.23 0.00 0.00 -1.56 0.00 0.00 55.97 54.53 1sfw s LYS 116 Cb 0.02 -2.72 0.00 0.00 -1.46 0.00 0.00 37.83 33.66 1sfw s LYS 116 CO 0.03 0.27 0.00 -1.71 0.16 0.00 0.00 175.35 174.09 1sfw n ASN 117 N -1.08 0.00 0.00 1.43 2.85 -1.01 -4.96 115.26 112.49 1sfw n ASN 117 Ca -0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1sfw n ASN 117 Cb 0.55 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.57 1sfw n ASN 117 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1sfw n LEU 118 N 0.00 0.00 0.00 1.20 4.77 -1.26 -4.85 117.00 116.86 1sfw n LEU 118 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sfw n LEU 118 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sfw n LEU 118 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.39 1sfw n ASP 119 N 0.78 0.00 -0.11 -1.43 -0.08 -1.26 -5.11 116.55 109.33 1sfw n ASP 119 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1sfw n ASP 119 Cb 0.00 0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.67 1sfw n ASP 119 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1sfw n THR 120 N -1.89 0.00 0.10 5.18 -2.24 -1.26 -4.92 114.28 109.25 1sfw n THR 120 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1sfw n THR 120 Cb 0.00 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1sfw n THR 120 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sfw n LYS 121 N -0.11 0.00 -0.19 -0.78 5.02 -1.26 -3.83 118.16 117.00 1sfw n LYS 121 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1sfw n LYS 121 Cb 0.08 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.16 1sfw n LYS 121 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1sfw h LYS 122 N 0.00 0.55 0.01 1.97 1.57 -2.00 -3.37 116.57 115.31 1sfw h LYS 122 Ca 0.00 -0.03 -0.40 0.00 -1.87 0.00 0.00 60.65 58.34 1sfw h LYS 122 Cb 0.00 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 1sfw h LYS 122 CO 0.00 0.37 -2.32 0.66 -0.57 0.00 0.00 179.45 177.58 1sfw n TYR 123 N -4.85 0.25 0.85 -1.35 4.01 -1.26 -5.11 117.16 109.70 1sfw n TYR 123 Ca 0.06 0.08 0.10 0.00 -0.16 0.00 0.00 57.90 57.98 1sfw n TYR 123 Cb 0.15 -1.03 0.09 0.00 -0.31 0.00 0.00 39.34 38.23 1sfw n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40