#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 1.89 -0.31 0.00 7.94 -1.26 -1.97 117.00 123.29 1sfw n LEU 2 Ca 0.00 0.42 0.07 0.00 -1.11 0.00 0.00 56.01 55.39 1sfw n LEU 2 Cb 0.00 -0.90 0.28 0.00 0.53 0.00 0.00 43.42 43.33 1sfw n LEU 2 CO 0.00 0.23 1.24 4.11 -1.11 0.00 0.00 177.39 181.85 1sfw h TRP 3 N -1.00 1.02 0.00 1.96 0.09 -1.96 0.16 115.95 116.21 1sfw h TRP 3 Ca -0.38 0.03 -0.11 0.00 0.09 0.00 0.00 58.89 58.51 1sfw h TRP 3 Cb 1.27 -0.33 -0.02 0.00 0.08 0.00 0.00 29.16 30.17 1sfw h TRP 3 CO -0.04 0.45 -0.54 1.96 0.09 0.00 0.00 178.44 180.36 1sfw h GLN 4 N 0.93 0.00 -0.08 0.12 4.20 -1.92 -3.18 115.11 115.18 1sfw h GLN 4 Ca 0.44 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.99 1sfw h GLN 4 Cb 0.43 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.22 1sfw h GLN 4 CO -0.20 0.54 -0.56 0.27 -0.67 0.00 0.00 178.83 178.21 1sfw h PHE 5 N 0.00 0.72 -1.23 2.96 -0.00 -0.71 -3.33 116.94 115.35 1sfw h PHE 5 Ca -0.01 -0.34 0.42 0.00 -0.00 0.00 0.00 57.97 58.05 1sfw h PHE 5 Cb 1.10 -0.10 -0.14 0.00 -0.00 0.00 0.00 35.95 36.80 1sfw h PHE 5 CO 0.00 1.13 0.76 0.00 -0.00 0.00 0.00 178.31 180.20 1sfw h ARG 6 N 0.11 0.08 0.00 6.09 -0.00 -0.78 -1.06 114.38 118.82 1sfw h ARG 6 Ca -0.05 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.41 1sfw h ARG 6 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 29.97 31.17 1sfw h ARG 6 CO 0.12 0.06 -0.10 0.77 0.00 0.00 0.00 179.97 180.81 1sfw h SER 7 N 0.09 0.00 0.18 7.04 0.02 -1.66 -2.16 113.55 117.05 1sfw h SER 7 Ca 0.82 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 61.43 1sfw h SER 7 Cb 2.44 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.92 1sfw h SER 7 CO -0.51 0.10 -2.14 0.23 -1.14 0.00 0.00 176.83 173.37 1sfw n MET 8 N -4.34 0.67 0.09 3.45 2.81 -0.85 -2.91 117.12 116.03 1sfw n MET 8 Ca -0.03 0.13 0.09 0.00 -1.81 0.00 0.00 57.70 56.08 1sfw n MET 8 Cb 0.17 -1.63 0.56 0.00 -0.71 0.00 0.00 33.22 31.61 1sfw n MET 8 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1sfw h ILE 9 N 0.00 0.98 -0.01 2.02 1.08 -1.11 0.14 117.51 120.63 1sfw h ILE 9 Ca -0.45 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1sfw h ILE 9 Cb 2.13 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 36.60 1sfw h ILE 9 CO 0.04 0.04 -0.31 2.29 -0.69 0.00 0.00 178.15 179.52 1sfw n LYS 10 N -4.49 0.68 0.06 2.37 -0.00 -0.82 -1.13 118.16 114.83 1sfw n LYS 10 Ca 0.03 -0.40 -0.07 0.00 -0.00 0.00 0.00 58.31 57.87 1sfw n LYS 10 Cb 0.19 -1.49 -0.04 0.00 -0.00 0.00 0.00 35.03 33.69 1sfw n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sfw h ALA 12 N -0.83 3.14 -3.43 0.00 0.00 0.17 -2.66 119.26 115.66 1sfw h ALA 12 Ca -0.03 0.05 -0.65 0.00 0.00 0.00 0.00 54.91 54.29 1sfw h ALA 12 Cb 0.35 0.19 -0.40 0.00 0.00 0.00 0.00 17.79 17.93 1sfw h ALA 12 CO 0.04 -1.74 -0.63 0.42 0.00 0.00 0.00 179.25 177.34 1sfw s ILE 13 N -5.13 2.60 0.15 0.00 -1.09 -0.29 -4.42 121.20 113.03 1sfw s ILE 13 Ca -0.07 -3.07 -0.27 0.00 -2.23 0.00 0.00 60.65 55.02 1sfw s ILE 13 Cb 0.29 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 1sfw s ILE 13 CO 0.85 -0.76 1.58 -0.65 -1.23 0.00 0.00 174.94 174.72 1sfw h PRO 14 N 6.80 -0.31 0.00 2.79 0.11 -1.56 -3.38 132.00 136.45 1sfw h PRO 14 Ca -0.07 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1sfw h PRO 14 Cb 0.93 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1sfw h PRO 14 CO 0.65 -0.21 0.00 0.41 -0.21 0.00 0.00 178.00 178.65 1sfw n GLY 15 N -1.41 -1.32 0.00 -0.55 0.00 -1.26 -4.89 105.19 95.76 1sfw n GLY 15 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1sfw n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sfw n SER 16 N -0.81 0.00 -4.81 1.61 7.64 -1.26 -5.10 113.62 110.89 1sfw n SER 16 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1sfw n SER 16 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1sfw n SER 16 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1sfw s HIS 17 N 4.02 3.63 0.14 1.43 5.65 -1.26 -4.94 115.29 123.96 1sfw s HIS 17 Ca 0.00 1.46 -0.23 0.00 0.25 0.00 0.00 55.06 56.55 1sfw s HIS 17 Cb 0.00 -2.68 -0.01 0.00 -1.18 0.00 0.00 32.58 28.71 1sfw s HIS 17 CO 0.00 0.29 1.65 -1.00 -0.65 0.00 0.00 174.74 175.03 1sfw h PRO 18 N 3.27 -0.22 0.00 2.88 0.13 -1.86 -3.25 132.00 132.95 1sfw h PRO 18 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1sfw h PRO 18 Cb 1.19 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sfw h PRO 18 CO 0.65 -0.14 0.00 1.28 -0.23 0.00 0.00 178.00 179.56 1sfw n LEU 19 N -5.33 0.00 0.00 1.56 4.77 -1.26 -4.55 117.00 112.19 1sfw n LEU 19 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1sfw n LEU 19 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1sfw n LEU 19 CO 0.20 0.00 0.00 0.23 -1.33 0.00 0.00 177.39 176.49 1sfw n MET 20 N 0.00 0.00 0.17 3.23 2.81 -1.26 0.12 117.12 122.19 1sfw n MET 20 Ca 0.00 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.93 1sfw n MET 20 Cb 0.00 0.00 0.22 0.00 -0.71 0.00 0.00 33.22 32.73 1sfw n MET 20 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1sfw h ASP 21 N 0.00 0.00 0.00 7.83 3.58 -1.85 -3.40 116.42 122.59 1sfw h ASP 21 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1sfw h ASP 21 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1sfw h ASP 21 CO 0.00 0.00 0.00 0.49 -2.88 0.00 0.00 179.24 176.85 1sfw n PHE 22 N -1.95 0.00 -0.34 0.28 3.72 0.12 -4.91 117.46 114.38 1sfw n PHE 22 Ca -0.01 0.00 0.27 0.00 -0.05 0.00 0.00 57.45 57.67 1sfw n PHE 22 Cb 0.50 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.56 1sfw n PHE 22 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1sfw h ASN 23 N 0.00 0.44 -3.47 4.37 -0.73 -1.67 -2.36 115.58 112.16 1sfw h ASN 23 Ca 0.00 0.21 -0.62 0.00 1.87 0.00 0.00 56.30 57.76 1sfw h ASN 23 Cb 0.00 0.17 -0.41 0.00 0.27 0.00 0.00 38.32 38.36 1sfw h ASN 23 CO 0.00 -0.23 -0.68 0.20 -0.37 0.00 0.00 177.43 176.35 1sfw s ASN 24 N -4.76 3.95 -0.30 1.15 -0.87 -1.26 -2.84 114.94 110.01 1sfw s ASN 24 Ca -0.09 -3.17 -0.13 0.00 -1.57 0.00 0.00 52.86 47.89 1sfw s ASN 24 Cb 0.31 -1.32 0.14 0.00 -0.02 0.00 0.00 41.25 40.37 1sfw s ASN 24 CO 0.79 -0.19 0.82 -0.47 -2.57 0.00 0.00 177.10 175.48 1sfw s TYR 25 N -0.43 -0.99 -0.06 2.20 6.14 -1.10 -1.96 117.35 121.16 1sfw s TYR 25 Ca 0.21 1.75 -0.00 0.00 0.64 0.00 0.00 57.07 59.67 1sfw s TYR 25 Cb -0.15 0.59 0.00 0.00 0.42 0.00 0.00 41.96 42.82 1sfw s TYR 25 CO -0.07 -0.49 0.04 0.41 0.64 0.00 0.00 175.55 176.08 1sfw n GLY 26 N 5.00 -0.08 2.35 8.97 0.00 -1.26 -1.23 105.19 118.95 1sfw n GLY 26 Ca -0.12 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.00 0.00 0.00 0.18 -0.36 -4.08 117.16 112.89 1sfw n TYR 28 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1sfw n TYR 28 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1sfw n TYR 28 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1sfw n GLY 30 N 0.00 1.98 0.00 0.00 0.00 -1.26 -2.74 105.19 103.18 1sfw n GLY 30 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.79 -4.84 117.00 120.30 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 3.09 -0.73 7.00 -3.96 0.00 -0.40 -4.99 105.19 105.20 1sfw n GLY 32 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 3.13 0.18 3.60 -0.02 0.00 -1.26 -4.67 105.19 106.15 1sfw n GLY 33 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 1sfw n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sfw s SER 34 N -4.00 -0.55 0.00 1.61 1.04 -1.26 -4.99 113.70 105.54 1sfw s SER 34 Ca 0.00 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.34 1sfw s SER 34 Cb 0.00 0.87 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1sfw s SER 34 CO 0.00 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1sfw n GLY 35 N 1.83 0.84 3.32 7.32 0.00 -1.26 -4.87 105.19 112.37 1sfw n GLY 35 Ca -0.14 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 1.62 0.00 2.61 -4.23 -1.26 -5.08 115.64 109.30 1sfw s THR 36 Ca 0.00 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 1sfw s THR 36 Cb 0.00 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1sfw s THR 36 CO 0.00 -0.63 0.00 -0.81 -0.54 0.00 0.00 174.62 172.64 1sfw n PRO 37 N -0.33 3.44 0.10 3.99 -0.04 -1.26 -4.68 135.00 136.22 1sfw n PRO 37 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1sfw n PRO 37 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 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 0.00 0.39 -3.28 0.52 0.24 -1.23 -4.82 118.33 110.15 1sfw n VAL 38 Ca 0.00 0.13 -0.22 0.00 -2.04 0.00 0.00 64.34 62.21 1sfw n VAL 38 Cb 0.00 -0.83 -0.00 0.00 -1.47 0.00 0.00 33.84 31.54 1sfw n VAL 38 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1sfw s ASP 39 N -5.25 6.04 0.29 -1.34 -4.77 -1.26 -4.99 116.67 105.39 1sfw s ASP 39 Ca 0.00 0.22 0.03 0.00 -3.30 0.00 0.00 52.55 49.50 1sfw s ASP 39 Cb 0.00 -1.65 0.73 0.00 -1.09 0.00 0.00 42.92 40.92 1sfw s ASP 39 CO 0.00 -0.47 1.66 -0.08 0.70 0.00 0.00 175.17 176.98 1sfw h GLU 40 N 0.67 0.25 -0.53 2.11 4.57 -1.96 -2.19 114.58 117.50 1sfw h GLU 40 Ca -0.48 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.73 1sfw h GLU 40 Cb 1.24 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.73 1sfw h GLU 40 CO 0.58 0.16 0.29 1.25 -1.18 0.00 0.00 179.01 180.11 1sfw h LEU 41 N 0.26 0.45 -0.22 1.64 7.12 -1.93 -2.03 115.31 120.61 1sfw h LEU 41 Ca 0.56 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.59 1sfw h LEU 41 Cb 1.13 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 1sfw h LEU 41 CO -0.62 0.31 0.00 0.47 -0.13 0.00 0.00 178.44 178.47 1sfw n ASP 42 N -4.83 0.22 -0.05 1.25 8.00 -0.94 -3.38 116.55 116.81 1sfw n ASP 42 Ca 0.04 0.55 -0.13 0.00 0.71 0.00 0.00 54.79 55.97 1sfw n ASP 42 Cb 0.11 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 40.54 1sfw n ASP 42 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1sfw h ARG 43 N 0.00 0.32 0.00 -1.24 2.47 -0.76 -0.59 114.38 114.58 1sfw h ARG 43 Ca 0.00 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1sfw h ARG 43 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1sfw h ARG 43 CO 0.00 0.71 0.00 0.00 0.56 0.00 0.00 179.97 181.24 1sfw h GLU 46 N 0.07 -0.32 -1.93 0.00 4.81 -0.68 -2.94 114.58 113.58 1sfw h GLU 46 Ca -0.41 0.02 -0.59 0.00 -0.13 0.00 0.00 59.36 58.25 1sfw h GLU 46 Cb 2.04 0.07 -0.21 0.00 0.63 0.00 0.00 28.75 31.28 1sfw h GLU 46 CO 0.09 -0.21 0.65 2.41 -0.73 0.00 0.00 179.01 181.22 1sfw n THR 47 N -5.25 3.40 0.00 0.32 -1.04 0.20 -0.82 114.28 111.10 1sfw n THR 47 Ca -0.09 -3.38 0.00 0.00 -2.04 0.00 0.00 64.05 58.55 1sfw n THR 47 Cb 0.17 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 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 0.29 0.00 -0.05 -1.42 -0.00 -0.55 -4.31 115.22 109.16 1sfw n HIS 48 Ca 0.50 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 58.25 1sfw n HIS 48 Cb 0.45 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.49 1sfw n HIS 48 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1sfw n ASP 49 N -0.90 -0.00 0.15 0.26 9.92 -1.25 0.32 116.55 125.05 1sfw n ASP 49 Ca 0.00 0.26 0.12 0.00 -0.53 0.00 0.00 54.79 54.64 1sfw n ASP 49 Cb 0.00 -0.10 0.19 0.00 -0.64 0.00 0.00 41.12 40.57 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 -0.40 -2.24 2.35 -1.25 -2.20 115.58 111.84 1sfw h ASN 50 Ca 0.10 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1sfw h ASN 50 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1sfw h ASN 50 CO -0.14 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.65 1sfw h TYR 52 N 3.84 0.17 -0.99 0.00 3.20 0.48 -3.37 116.97 120.29 1sfw h TYR 52 Ca 0.00 -0.12 0.29 0.00 3.14 0.00 0.00 58.73 62.03 1sfw h TYR 52 Cb 0.85 -0.01 -0.18 0.00 1.54 0.00 0.00 36.73 38.93 1sfw h TYR 52 CO 0.26 1.40 0.08 0.07 -1.64 0.00 0.00 178.16 178.33 1sfw h ARG 53 N -0.73 0.01 0.00 1.82 -0.00 -1.75 -3.37 114.38 110.36 1sfw h ARG 53 Ca -0.25 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.73 1sfw h ARG 53 Cb 1.41 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.38 1sfw h ARG 53 CO -0.06 0.00 0.00 -3.47 -0.00 0.00 0.00 179.97 176.45 1sfw n ASP 54 N -5.47 0.00 -0.35 0.08 2.03 -1.26 -1.17 116.55 110.42 1sfw n ASP 54 Ca 0.25 -0.60 0.14 0.00 0.52 0.00 0.00 54.79 55.10 1sfw n ASP 54 Cb 0.82 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 41.56 1sfw n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sfw h ALA 55 N 3.07 1.71 -0.75 -1.67 0.00 -1.88 0.45 119.26 120.19 1sfw h ALA 55 Ca 0.00 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.12 1sfw h ALA 55 Cb 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 1sfw h ALA 55 CO 0.00 -0.12 0.35 1.57 0.00 0.00 0.00 179.25 181.05 1sfw h LYS 56 N 0.71 0.53 0.16 0.00 -0.00 -1.38 -3.16 116.57 113.43 1sfw h LYS 56 Ca 0.60 -0.03 -0.31 0.00 -0.00 0.00 0.00 60.65 60.91 1sfw h LYS 56 Cb 1.00 -0.12 0.01 0.00 -0.00 0.00 0.00 32.23 33.12 1sfw h LYS 56 CO -0.41 0.35 -1.44 -0.97 -0.00 0.00 0.00 179.45 176.98 1sfw h ASN 57 N 0.55 0.54 0.00 7.07 -1.24 -1.68 -3.15 115.58 117.67 1sfw h ASN 57 Ca 0.40 -0.64 0.00 0.00 0.71 0.00 0.00 56.30 56.77 1sfw h ASN 57 Cb 0.52 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1sfw h ASN 57 CO -0.34 1.51 0.00 -0.11 -1.29 0.00 0.00 177.43 177.21 1sfw n LEU 58 N -3.56 0.00 -0.13 0.34 7.94 0.13 -4.85 117.00 116.87 1sfw n LEU 58 Ca -0.14 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 54.92 1sfw n LEU 58 Cb 1.06 0.00 0.54 0.00 0.53 0.00 0.00 43.42 45.54 1sfw n LEU 58 CO 0.54 0.00 1.20 0.44 -1.11 0.00 0.00 177.39 178.47 1sfw h ASP 59 N 0.00 0.32 0.00 1.96 3.32 -1.92 -3.12 116.42 116.97 1sfw h ASP 59 Ca 0.00 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.87 1sfw h ASP 59 Cb 0.00 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1sfw h ASP 59 CO 0.00 0.17 -1.95 -0.24 -1.72 0.00 0.00 179.24 175.49 1sfw n SER 60 N -4.46 1.28 -4.02 6.45 2.88 -1.26 -5.04 113.62 109.45 1sfw n SER 60 Ca 0.13 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.52 1sfw n SER 60 Cb 0.53 1.11 -0.13 0.00 -0.75 0.00 0.00 64.21 64.98 1sfw n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw n LYS 62 N 2.24 2.27 -1.82 0.00 4.01 -1.25 -2.36 118.16 121.25 1sfw n LYS 62 Ca -0.17 -4.54 -0.30 0.00 -0.51 0.00 0.00 58.31 52.78 1sfw n LYS 62 Cb 0.56 -2.20 0.05 0.00 -0.51 0.00 0.00 35.03 32.93 1sfw n LYS 62 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1sfw s PHE 63 N -2.19 3.26 -0.17 2.13 5.36 -1.19 -4.96 117.98 120.22 1sfw s PHE 63 Ca 0.37 1.09 -0.19 0.00 -0.96 0.00 0.00 56.93 57.24 1sfw s PHE 63 Cb 0.11 -3.05 -0.16 0.00 -0.34 0.00 0.00 43.02 39.59 1sfw s PHE 63 CO -0.05 -1.24 0.23 -0.07 -1.46 0.00 0.00 175.22 172.63 1sfw h LEU 64 N -0.70 0.00 0.00 6.12 4.07 -1.93 -3.41 115.31 119.46 1sfw h LEU 64 Ca -0.45 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.05 1sfw h LEU 64 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1sfw h LEU 64 CO 0.63 1.16 0.00 1.33 -1.08 0.00 0.00 178.44 180.48 1sfw n VAL 65 N -4.54 0.00 -0.08 1.22 0.24 -1.26 -5.00 118.33 108.91 1sfw n VAL 65 Ca -0.20 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 1sfw n VAL 65 Cb 0.50 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.80 1sfw n VAL 65 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1sfw h ASP 66 N 0.00 0.00 0.00 -1.34 3.32 -1.99 -3.48 116.42 112.93 1sfw h ASP 66 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1sfw h ASP 66 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sfw h ASP 66 CO 0.00 1.05 0.00 -0.46 -1.72 0.00 0.00 179.24 178.11 1sfw n ASN 67 N -4.56 0.00 -4.62 6.45 6.94 -1.26 -4.93 115.26 113.28 1sfw n ASN 67 Ca -0.17 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 53.97 1sfw n ASN 67 Cb 0.43 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.82 1sfw n ASN 67 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1sfw s PRO 68 N 0.00 3.56 -1.33 -0.53 0.04 -1.26 -4.77 135.00 130.70 1sfw s PRO 68 Ca 0.00 1.96 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 1sfw s PRO 68 Cb 0.00 -4.21 0.10 0.00 0.04 0.00 0.00 34.50 30.44 1sfw s PRO 68 CO 0.00 -1.60 1.89 0.66 0.04 0.00 0.00 177.00 177.99 1sfw n TYR 69 N 9.69 3.89 0.00 0.56 4.02 -1.26 -4.58 117.16 129.48 1sfw n TYR 69 Ca 0.24 -2.96 0.00 0.00 -0.01 0.00 0.00 57.90 55.16 1sfw n TYR 69 Cb 0.44 -2.35 0.00 0.00 -0.02 0.00 0.00 39.34 37.41 1sfw n TYR 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1sfw n THR 70 N 4.85 0.00 -0.04 -0.72 -2.24 -1.26 -4.42 114.28 110.45 1sfw n THR 70 Ca 0.45 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 62.14 1sfw n THR 70 Cb 0.41 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1sfw n THR 70 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sfw h GLU 71 N 0.00 0.14 0.00 -0.78 4.39 -1.87 -3.37 114.58 113.09 1sfw h GLU 71 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1sfw h GLU 71 Cb 0.00 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1sfw h GLU 71 CO 0.00 0.10 0.00 0.45 -1.16 0.00 0.00 179.01 178.40 1sfw n SER 72 N -5.05 1.72 0.00 1.42 2.88 -1.26 -4.72 113.62 108.60 1sfw n SER 72 Ca -0.03 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 1sfw n SER 72 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1sfw n SER 72 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1sfw n TYR 73 N -0.04 0.00 -2.77 0.66 4.01 -1.26 -4.15 117.16 113.60 1sfw n TYR 73 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 1sfw n TYR 73 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 1sfw n TYR 73 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sfw s SER 74 N 0.00 -0.42 0.00 7.72 0.15 -0.67 -4.98 113.70 115.51 1sfw s SER 74 Ca 0.00 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1sfw s SER 74 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1sfw s SER 74 CO 0.00 -0.04 0.00 0.00 1.20 0.00 0.00 173.24 174.40 1sfw n TYR 75 N 3.48 0.00 -2.13 3.44 4.11 -1.24 -3.09 117.16 121.74 1sfw n TYR 75 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.97 1sfw n TYR 75 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.97 1sfw n TYR 75 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1sfw n SER 76 N 0.00 0.00 -3.65 9.48 7.64 -1.26 -4.95 113.62 120.88 1sfw n SER 76 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1sfw n SER 76 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1sfw n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sfw n SER 78 N 3.26 0.00 0.07 0.00 7.64 0.17 -4.86 113.62 119.90 1sfw n SER 78 Ca -0.17 0.00 0.21 0.00 1.01 0.00 0.00 58.87 59.91 1sfw n SER 78 Cb 0.57 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.46 1sfw n SER 78 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1sfw h ASN 79 N 0.00 0.00 0.00 6.43 2.35 -2.01 -3.43 115.58 118.92 1sfw h ASN 79 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sfw h ASN 79 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1sfw h ASN 79 CO 0.00 0.00 0.00 1.07 -1.65 0.00 0.00 177.43 176.85 1sfw n THR 80 N -3.55 0.00 -0.25 2.81 5.66 -1.26 -5.04 114.28 112.65 1sfw n THR 80 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1sfw n THR 80 Cb 0.74 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 1sfw n THR 80 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1sfw n GLU 81 N 0.00 -1.25 0.00 1.09 0.28 -1.26 -1.69 120.64 117.80 1sfw n GLU 81 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1sfw n GLU 81 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1sfw n GLU 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1sfw n ILE 82 N -2.56 0.00 0.00 3.84 -0.00 -1.26 -0.65 119.36 118.72 1sfw n ILE 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1sfw n ILE 82 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 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 -4.62 114.28 115.46 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 -1.85 0.00 -2.71 0.00 2.04 -1.18 -1.66 115.26 109.90 1sfw n ASN 85 Ca 0.00 -0.75 -0.05 0.00 -0.44 0.00 0.00 54.58 53.34 1sfw n ASN 85 Cb 0.00 0.00 0.09 0.00 -2.53 0.00 0.00 39.78 37.34 1sfw n ASN 85 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1sfw n SER 86 N -2.23 -0.46 0.10 0.53 3.41 -1.26 -4.84 113.62 108.88 1sfw n SER 86 Ca 0.00 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 1sfw n SER 86 Cb 0.00 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1sfw n SER 86 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sfw n LYS 87 N -0.79 0.00 -2.97 4.33 4.01 -1.26 -5.14 118.16 116.34 1sfw n LYS 87 Ca -0.03 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.73 1sfw n LYS 87 Cb 0.84 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.37 1sfw n LYS 87 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1sfw n ASN 88 N -2.99 -7.87 -4.90 4.39 6.94 -1.26 -5.09 115.26 104.49 1sfw n ASN 88 Ca 0.00 0.18 -0.31 0.00 -0.02 0.00 0.00 54.58 54.43 1sfw n ASN 88 Cb 0.00 -5.35 -0.05 0.00 -2.36 0.00 0.00 39.78 32.03 1sfw n ASN 88 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1sfw s ASN 89 N -2.84 6.50 0.28 0.53 0.01 -1.26 -4.96 114.94 113.20 1sfw s ASN 89 Ca 0.10 0.65 -0.04 0.00 -0.71 0.00 0.00 52.86 52.86 1sfw s ASN 89 Cb -0.03 -2.11 0.36 0.00 0.41 0.00 0.00 41.25 39.88 1sfw s ASN 89 CO 0.76 -0.00 1.93 0.00 -1.51 0.00 0.00 177.10 178.28 1sfw h ALA 90 N 2.59 1.33 -0.26 0.60 0.00 -1.94 0.28 119.26 121.87 1sfw h ALA 90 Ca -0.46 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.40 1sfw h ALA 90 Cb 1.17 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1sfw h ALA 90 CO 0.71 0.59 -0.11 0.00 0.00 0.00 0.00 179.25 180.45 1sfw n GLU 92 N -4.37 0.00 0.06 0.00 0.28 -1.01 -4.40 120.64 111.20 1sfw n GLU 92 Ca 0.02 0.14 0.14 0.00 -0.16 0.00 0.00 57.16 57.30 1sfw n GLU 92 Cb 0.10 -0.54 0.62 0.00 1.43 0.00 0.00 31.44 33.05 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 -2.00 2.20 -0.31 -1.84 0.00 -0.96 0.03 119.26 116.39 1sfw h ALA 93 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1sfw h ALA 93 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1sfw h ALA 93 CO 0.00 -0.29 -0.19 0.35 0.00 0.00 0.00 179.25 179.12 1sfw h PHE 94 N 0.12 0.78 -0.37 0.00 3.04 -0.89 -2.25 116.94 117.36 1sfw h PHE 94 Ca 0.17 -0.21 -0.06 0.00 3.98 0.00 0.00 57.97 61.86 1sfw h PHE 94 Cb 0.53 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1sfw h PHE 94 CO -0.00 0.91 0.02 0.82 -2.02 0.00 0.00 178.31 178.04 1sfw h ILE 95 N 0.42 1.25 -0.89 1.41 5.03 -1.32 -2.84 117.51 120.57 1sfw h ILE 95 Ca 0.06 -0.95 0.23 0.00 -0.12 0.00 0.00 64.86 64.07 1sfw h ILE 95 Cb 0.73 1.14 -0.13 0.00 -3.03 0.00 0.00 36.82 35.53 1sfw h ILE 95 CO 0.05 0.32 0.36 0.00 -0.68 0.00 0.00 178.15 178.20 1sfw h ASN 97 N 0.35 0.21 0.02 0.00 -1.24 -1.17 -0.57 115.58 113.18 1sfw h ASN 97 Ca 0.56 -0.27 -0.08 0.00 0.71 0.00 0.00 56.30 57.22 1sfw h ASN 97 Cb 1.09 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.06 1sfw h ASN 97 CO -0.56 1.22 -0.23 0.00 -1.29 0.00 0.00 177.43 176.58 1sfw h ASP 99 N 0.31 -0.52 0.76 0.00 5.19 -1.35 -1.76 116.42 119.05 1sfw h ASP 99 Ca 0.05 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1sfw h ASP 99 Cb 0.58 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1sfw h ASP 99 CO 0.04 -0.34 0.00 -2.11 -3.12 0.00 0.00 179.24 173.71 1sfw n ARG 100 N -3.60 0.09 0.10 3.56 -4.01 -0.23 -0.60 116.66 111.97 1sfw n ARG 100 Ca -0.07 0.26 0.12 0.00 -1.04 0.00 0.00 57.85 57.12 1sfw n ARG 100 Cb 0.22 -1.65 0.19 0.00 -3.04 0.00 0.00 32.46 28.19 1sfw n ARG 100 CO 0.00 0.00 0.00 -0.97 -3.04 0.00 0.00 177.63 173.62 1sfw h ASN 101 N 0.00 0.00 1.14 2.89 -1.24 -1.36 -3.18 115.58 113.83 1sfw h ASN 101 Ca 0.00 -0.10 -0.18 0.00 0.71 0.00 0.00 56.30 56.73 1sfw h ASN 101 Cb 0.38 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 1sfw h ASN 101 CO 0.00 0.05 -0.86 0.00 -1.29 0.00 0.00 177.43 175.33 1sfw h ALA 102 N 2.34 0.45 -0.32 1.57 0.00 -0.32 -2.49 119.26 120.51 1sfw h ALA 102 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 54.91 54.19 1sfw h ALA 102 Cb 0.83 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1sfw h ALA 102 CO 0.00 1.07 0.22 0.00 0.00 0.00 0.00 179.25 180.54 1sfw h ALA 103 N 1.15 2.13 0.27 0.00 0.00 -0.90 0.17 119.26 122.07 1sfw h ALA 103 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sfw h ALA 103 Cb 1.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1sfw h ALA 103 CO 0.11 -0.20 -0.13 0.82 0.00 0.00 0.00 179.25 179.85 1sfw h ILE 104 N 0.13 0.00 -0.99 0.00 5.03 -1.66 0.85 117.51 120.87 1sfw h ILE 104 Ca 0.15 -0.24 0.26 0.00 -0.12 0.00 0.00 64.86 64.91 1sfw h ILE 104 Cb 0.41 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.13 1sfw h ILE 104 CO -0.02 0.00 0.67 0.00 -0.68 0.00 0.00 178.15 178.12 1sfw h PHE 106 N 0.26 1.00 0.00 0.00 0.04 -0.73 -0.93 116.94 116.58 1sfw h PHE 106 Ca 0.52 -0.64 -0.09 0.00 2.80 0.00 0.00 57.97 60.56 1sfw h PHE 106 Cb 1.56 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.62 1sfw h PHE 106 CO -0.00 1.48 -0.44 1.03 -0.60 0.00 0.00 178.31 179.78 1sfw h SER 107 N 0.26 0.00 0.00 2.17 0.87 -0.00 -3.44 113.55 113.40 1sfw h SER 107 Ca -0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1sfw h SER 107 Cb 1.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.91 1sfw h SER 107 CO 0.24 0.44 0.00 2.29 -0.53 0.00 0.00 176.83 179.27 1sfw n LYS 108 N -3.99 0.00 -0.54 2.24 -0.00 0.30 -4.99 118.16 111.18 1sfw n LYS 108 Ca -0.02 -0.05 -0.20 0.00 -0.00 0.00 0.00 58.31 58.04 1sfw n LYS 108 Cb 0.46 -0.07 0.15 0.00 -0.00 0.00 0.00 35.03 35.58 1sfw n LYS 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sfw n ALA 109 N 0.00 -1.38 -1.32 0.58 0.00 -0.36 -4.79 120.51 113.25 1sfw n ALA 109 Ca 0.00 -1.11 -0.38 0.00 0.00 0.00 0.00 53.44 51.95 1sfw n ALA 109 Cb 0.43 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.92 1.25 -1.47 0.00 -0.02 -1.26 -4.92 135.00 126.66 1sfw n PRO 110 Ca 0.05 -1.88 -0.32 0.00 -2.02 0.00 0.00 63.50 59.33 1sfw n PRO 110 Cb 0.40 -3.12 0.08 0.00 -0.02 0.00 0.00 33.50 30.83 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 7.49 2.43 -0.25 6.00 5.04 -1.26 -3.92 117.35 132.88 1sfw s TYR 111 Ca 0.63 1.58 -0.05 0.00 -2.44 0.00 0.00 57.07 56.80 1sfw s TYR 111 Cb 0.10 -3.20 0.13 0.00 0.35 0.00 0.00 41.96 39.34 1sfw s TYR 111 CO 0.16 -1.96 0.48 -0.80 -1.34 0.00 0.00 175.55 172.09 1sfw s ASN 112 N -2.74 -0.46 -0.74 4.32 0.01 -1.26 -4.97 114.94 109.10 1sfw s ASN 112 Ca 0.66 0.79 0.04 0.00 -0.71 0.00 0.00 52.86 53.64 1sfw s ASN 112 Cb -0.21 1.59 0.23 0.00 0.41 0.00 0.00 41.25 43.27 1sfw s ASN 112 CO 0.48 -0.26 0.75 2.29 -1.51 0.00 0.00 177.10 178.85 1sfw n LYS 113 N 5.40 2.54 0.16 -0.60 0.00 -1.26 -4.58 118.16 119.82 1sfw n LYS 113 Ca -0.06 -4.59 0.00 0.00 -0.00 0.00 0.00 58.31 53.67 1sfw n LYS 113 Cb 0.50 -2.32 0.00 0.00 -0.00 0.00 0.00 35.03 33.21 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 1.43 0.00 0.18 -1.58 4.07 -1.26 -4.91 120.64 118.56 1sfw n GLU 114 Ca 0.25 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.45 1sfw n GLU 114 Cb 0.38 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 31.86 1sfw n GLU 114 CO 0.00 0.00 0.00 1.12 -0.06 0.00 0.00 177.13 178.19 1sfw h HIS 115 N 0.00 0.00 -0.88 4.31 2.07 -2.03 -3.50 115.15 115.12 1sfw h HIS 115 Ca 0.00 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.25 1sfw h HIS 115 Cb 0.00 0.00 0.13 0.00 2.57 0.00 0.00 27.41 30.11 1sfw h HIS 115 CO 0.00 0.10 -1.09 1.17 -3.07 0.00 0.00 177.93 175.04 1sfw n LYS 116 N -3.02 0.00 0.00 5.12 4.81 -1.26 -4.14 118.16 119.66 1sfw n LYS 116 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1sfw n LYS 116 Cb 0.58 -0.51 0.00 0.00 0.02 0.00 0.00 35.03 35.12 1sfw n LYS 116 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1sfw n ASN 117 N 1.79 0.00 0.00 3.14 2.85 -0.83 -4.98 115.26 117.23 1sfw n ASN 117 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1sfw n ASN 117 Cb 0.32 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.34 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 -4.87 117.00 116.84 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 0.47 -1.33 0.00 0.00 177.39 176.53 1sfw n ASP 119 N 1.66 0.00 -2.92 -1.43 9.92 -1.26 -5.14 116.55 117.38 1sfw n ASP 119 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1sfw n ASP 119 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1sfw n ASP 119 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1sfw n THR 120 N -1.64 -0.30 0.13 -3.53 -2.24 -1.26 -4.43 114.28 101.00 1sfw n THR 120 Ca 0.00 -1.99 0.00 0.00 -2.27 0.00 0.00 64.05 59.79 1sfw n THR 120 Cb 0.00 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1sfw n THR 120 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1sfw n LYS 121 N 2.29 0.00 0.07 -0.78 2.85 -1.26 -4.26 118.16 117.06 1sfw n LYS 121 Ca 0.17 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.31 1sfw n LYS 121 Cb 0.57 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.88 1sfw n LYS 121 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1sfw h LYS 122 N 0.00 -0.10 0.13 -1.58 1.57 -2.03 -3.36 116.57 111.20 1sfw h LYS 122 Ca 0.00 0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.52 1sfw h LYS 122 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1sfw h LYS 122 CO 0.00 -0.07 -1.32 1.88 -0.57 0.00 0.00 179.45 179.37 1sfw h TYR 123 N -0.11 0.50 -0.00 -1.35 0.05 -1.88 -3.50 116.97 110.68 1sfw h TYR 123 Ca 0.00 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.42 1sfw h TYR 123 Cb 0.11 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1sfw h TYR 123 CO -0.10 1.51 0.00 0.00 -1.05 0.00 0.00 178.16 178.53