#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfw h LEU 2 N 0.00 0.00 -1.40 0.00 5.85 -1.84 -1.97 115.31 115.96 1sfw h LEU 2 Ca 0.00 0.00 0.38 0.00 0.84 0.00 0.00 57.88 59.10 1sfw h LEU 2 Cb 0.00 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 40.91 1sfw h LEU 2 CO 0.00 0.36 0.79 4.11 -0.34 0.00 0.00 178.44 183.36 1sfw h TRP 3 N -0.61 0.56 -0.07 1.25 0.09 -1.93 0.30 115.95 115.54 1sfw h TRP 3 Ca 0.00 0.02 -0.15 0.00 0.09 0.00 0.00 58.89 58.85 1sfw h TRP 3 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 29.16 29.19 1sfw h TRP 3 CO -0.04 -0.12 -0.62 1.96 0.09 0.00 0.00 178.44 179.70 1sfw h GLN 4 N 0.18 0.27 0.00 0.12 4.20 -1.99 -3.01 115.11 114.88 1sfw h GLN 4 Ca 0.75 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 59.15 1sfw h GLN 4 Cb 2.23 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 30.03 1sfw h GLN 4 CO -0.38 0.80 -0.55 0.27 -0.67 0.00 0.00 178.83 178.31 1sfw h PHE 5 N 0.20 0.00 0.00 2.96 -0.00 0.10 -3.09 116.94 117.10 1sfw h PHE 5 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 1sfw h PHE 5 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.08 1sfw h PHE 5 CO 0.02 0.55 0.00 0.54 -0.00 0.00 0.00 178.31 179.42 1sfw n ARG 6 N -3.30 0.84 -0.03 6.09 5.12 0.76 -0.79 116.66 125.35 1sfw n ARG 6 Ca 0.01 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.73 1sfw n ARG 6 Cb 0.72 -1.21 -0.13 0.00 -1.16 0.00 0.00 32.46 30.68 1sfw n ARG 6 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1sfw n SER 7 N 0.39 2.03 -0.52 0.55 7.64 -1.14 -4.67 113.62 117.89 1sfw n SER 7 Ca 0.00 0.12 0.13 0.00 1.01 0.00 0.00 58.87 60.13 1sfw n SER 7 Cb 0.34 -0.70 0.26 0.00 -1.01 0.00 0.00 64.21 63.10 1sfw n SER 7 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1sfw n MET 8 N -3.40 1.47 0.00 1.43 2.81 -0.10 -0.73 117.12 118.59 1sfw n MET 8 Ca -0.35 -1.05 0.13 0.00 -1.81 0.00 0.00 57.70 54.61 1sfw n MET 8 Cb 1.03 -1.48 0.36 0.00 -0.71 0.00 0.00 33.22 32.43 1sfw n MET 8 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1sfw n ILE 9 N 0.15 0.00 -0.09 2.02 -0.00 0.03 -0.39 119.36 121.08 1sfw n ILE 9 Ca 0.14 -0.01 -0.21 0.00 -0.00 0.00 0.00 62.75 62.66 1sfw n ILE 9 Cb 0.43 0.09 -0.12 0.00 -0.00 0.00 0.00 39.64 40.04 1sfw n ILE 9 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1sfw n LYS 10 N -1.39 0.66 -0.03 0.38 4.01 -1.24 -4.29 118.16 116.27 1sfw n LYS 10 Ca 0.07 0.25 0.13 0.00 -0.51 0.00 0.00 58.31 58.24 1sfw n LYS 10 Cb 0.33 -1.59 0.40 0.00 -0.51 0.00 0.00 35.03 33.66 1sfw n LYS 10 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sfw h ALA 12 N 4.37 0.52 -2.02 0.00 0.00 -0.89 -3.21 119.26 118.02 1sfw h ALA 12 Ca 0.00 -0.70 -0.45 0.00 0.00 0.00 0.00 54.91 53.75 1sfw h ALA 12 Cb 0.61 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1sfw h ALA 12 CO 0.00 0.95 -0.25 0.42 0.00 0.00 0.00 179.25 180.37 1sfw s ILE 13 N -2.83 4.42 0.06 0.00 1.09 -1.18 -4.80 121.20 117.95 1sfw s ILE 13 Ca 0.02 -0.75 -0.36 0.00 -1.10 0.00 0.00 60.65 58.46 1sfw s ILE 13 Cb 0.09 -3.58 -0.20 0.00 -1.06 0.00 0.00 42.46 37.71 1sfw s ILE 13 CO 0.78 -0.31 1.54 -0.65 -0.10 0.00 0.00 174.94 176.21 1sfw h PRO 14 N 0.76 -1.25 0.00 2.79 0.11 -1.90 -3.46 132.00 129.04 1sfw h PRO 14 Ca -0.48 0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1sfw h PRO 14 Cb 1.24 0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.64 1sfw h PRO 14 CO 0.57 -0.83 0.00 0.41 -0.21 0.00 0.00 178.00 177.94 1sfw n GLY 15 N -1.65 0.28 0.00 -0.55 0.00 -1.25 -4.63 105.19 97.39 1sfw n GLY 15 Ca -0.16 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.76 0.00 -4.70 1.61 2.88 -1.26 -4.97 113.62 106.42 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 1.00 3.34 0.04 0.66 0.00 -1.26 -4.80 115.29 114.27 1sfw s HIS 17 Ca 0.00 1.32 -0.27 0.00 -3.00 0.00 0.00 55.06 53.10 1sfw s HIS 17 Cb 0.00 -3.37 -0.15 0.00 -4.00 0.00 0.00 32.58 25.06 1sfw s HIS 17 CO 0.00 -1.09 1.35 -1.00 -1.00 0.00 0.00 174.74 173.01 1sfw h PRO 18 N 7.16 -0.95 0.00 -0.38 0.13 -1.88 -3.42 132.00 132.65 1sfw h PRO 18 Ca -0.37 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1sfw h PRO 18 Cb 1.18 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1sfw h PRO 18 CO 0.84 -0.64 0.00 1.28 -0.23 0.00 0.00 178.00 179.26 1sfw n LEU 19 N -4.78 0.00 0.00 1.56 4.77 -1.26 -4.57 117.00 112.72 1sfw n LEU 19 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1sfw n LEU 19 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1sfw n LEU 19 CO 0.30 0.00 0.00 0.23 -1.33 0.00 0.00 177.39 176.59 1sfw n MET 20 N 0.00 0.00 0.00 3.23 2.81 -1.26 -1.17 117.12 120.73 1sfw n MET 20 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1sfw n MET 20 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 -4.18 116.55 120.97 1sfw n ASP 21 Ca 0.00 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1sfw n ASP 21 Cb 0.00 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 -1.36 0.00 -0.17 -0.67 3.01 -0.31 -4.71 117.46 113.25 1sfw n PHE 22 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.44 1sfw n PHE 22 Cb 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.52 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 -0.41 -3.62 4.37 -1.24 -1.78 -2.42 115.58 110.47 1sfw h ASN 23 Ca 0.00 0.15 -0.68 0.00 0.71 0.00 0.00 56.30 56.48 1sfw h ASN 23 Cb 0.11 0.30 -0.29 0.00 0.73 0.00 0.00 38.32 39.16 1sfw h ASN 23 CO 0.00 -0.15 -0.66 0.20 -1.29 0.00 0.00 177.43 175.53 1sfw s ASN 24 N -5.23 4.94 -0.30 1.15 -0.87 -1.26 -3.16 114.94 110.21 1sfw s ASN 24 Ca -0.14 -0.94 -0.19 0.00 -1.57 0.00 0.00 52.86 50.02 1sfw s ASN 24 Cb 0.17 -1.80 0.18 0.00 -0.02 0.00 0.00 41.25 39.78 1sfw s ASN 24 CO 0.72 -0.22 1.28 -0.47 -2.57 0.00 0.00 177.10 175.84 1sfw s TYR 25 N 1.40 -0.01 0.00 2.20 6.14 -1.25 -4.47 117.35 121.35 1sfw s TYR 25 Ca -0.00 0.01 0.00 0.00 0.64 0.00 0.00 57.07 57.72 1sfw s TYR 25 Cb -0.18 0.00 0.00 0.00 0.42 0.00 0.00 41.96 42.20 1sfw s TYR 25 CO 0.00 -0.00 0.00 0.41 0.64 0.00 0.00 175.55 176.60 1sfw n GLY 26 N 5.29 1.06 3.31 8.97 0.00 -1.25 -3.72 105.19 118.86 1sfw n GLY 26 Ca -0.09 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.20 -1.91 0.00 0.00 0.18 -0.86 -4.83 117.16 109.54 1sfw n TYR 28 Ca -0.14 0.70 0.00 0.00 1.88 0.00 0.00 57.90 60.34 1sfw n TYR 28 Cb 0.63 -3.96 0.00 0.00 -0.38 0.00 0.00 39.34 35.63 1sfw n TYR 28 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1sfw h GLY 30 N 0.00 0.00 0.00 0.00 0.00 -1.76 -3.43 103.07 97.89 1sfw h GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sfw h GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1sfw n LEU 31 N -4.70 0.00 -4.74 3.11 7.94 -1.26 -4.94 117.00 112.42 1sfw n LEU 31 Ca -0.04 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.45 1sfw n LEU 31 Cb 0.14 -0.19 -0.04 0.00 0.53 0.00 0.00 43.42 43.87 1sfw n LEU 31 CO 0.06 -0.25 0.85 -0.83 -1.11 0.00 0.00 177.39 176.10 1sfw s GLY 32 N -2.13 2.76 0.00 -3.96 0.00 -1.19 -4.89 107.32 97.91 1sfw s GLY 32 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.62 1sfw s GLY 32 CO 0.00 1.76 0.00 0.61 0.00 0.00 0.00 173.10 175.47 1sfw n GLY 33 N 2.06 -2.02 3.59 0.20 0.00 -1.26 -2.02 105.19 105.73 1sfw n GLY 33 Ca 0.03 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.48 0.00 1.61 1.04 -1.26 -4.79 113.70 105.82 1sfw s SER 34 Ca 0.00 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1sfw s SER 34 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1sfw s SER 34 CO 0.00 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1sfw n GLY 35 N 1.35 -0.53 3.07 7.32 0.00 -1.26 -5.02 105.19 110.11 1sfw n GLY 35 Ca -0.13 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1sfw n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sfw s THR 36 N 0.00 -0.01 0.00 2.61 2.01 -1.26 -5.00 115.64 113.99 1sfw s THR 36 Ca 0.00 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1sfw s THR 36 Cb 0.00 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.21 1sfw s THR 36 CO 0.00 0.01 0.00 -0.81 -0.69 0.00 0.00 174.62 173.13 1sfw n PRO 37 N 3.21 2.09 0.05 4.92 -0.04 -1.26 -5.05 135.00 138.91 1sfw n PRO 37 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1sfw n PRO 37 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 1.11 -2.43 0.52 0.24 -1.26 -5.05 118.33 111.46 1sfw n VAL 38 Ca 0.00 0.37 -0.26 0.00 -2.04 0.00 0.00 64.34 62.41 1sfw n VAL 38 Cb 0.00 -1.51 0.04 0.00 -1.47 0.00 0.00 33.84 30.90 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 -5.89 5.45 0.16 -1.34 2.15 -1.26 -4.95 116.67 110.99 1sfw s ASP 39 Ca 0.00 0.58 -0.18 0.00 0.43 0.00 0.00 52.55 53.38 1sfw s ASP 39 Cb 0.00 -1.53 0.09 0.00 -0.30 0.00 0.00 42.92 41.18 1sfw s ASP 39 CO 0.00 -1.13 1.66 -0.08 -0.17 0.00 0.00 175.17 175.45 1sfw h GLU 40 N -0.18 -0.04 -0.19 4.34 4.22 -1.98 -2.45 114.58 118.31 1sfw h GLU 40 Ca -0.45 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.05 1sfw h GLU 40 Cb 1.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1sfw h GLU 40 CO 0.60 -0.02 0.15 1.25 -2.18 0.00 0.00 179.01 178.81 1sfw h LEU 41 N -0.04 0.00 -0.00 1.64 7.12 -1.93 0.12 115.31 122.22 1sfw h LEU 41 Ca 0.19 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.20 1sfw h LEU 41 Cb 0.32 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1sfw h LEU 41 CO -0.41 0.00 -0.04 0.47 -0.13 0.00 0.00 178.44 178.33 1sfw n ASP 42 N -4.21 0.04 -0.05 1.25 9.92 -1.11 -3.89 116.55 118.50 1sfw n ASP 42 Ca 0.02 0.36 -0.11 0.00 -0.53 0.00 0.00 54.79 54.53 1sfw n ASP 42 Cb 0.29 -0.42 -0.10 0.00 -0.64 0.00 0.00 41.12 40.25 1sfw n ASP 42 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1sfw h ARG 43 N 0.01 -0.02 -0.02 -1.24 2.47 -0.26 -1.02 114.38 114.30 1sfw h ARG 43 Ca 0.00 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1sfw h ARG 43 Cb 0.48 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1sfw h ARG 43 CO 0.00 0.73 0.10 0.00 0.56 0.00 0.00 179.97 181.36 1sfw h GLU 46 N -0.12 0.00 0.00 0.00 -0.00 -0.78 -2.42 114.58 111.26 1sfw h GLU 46 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.15 1sfw h GLU 46 Cb 1.91 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.66 1sfw h GLU 46 CO 0.20 0.10 -1.02 2.41 -0.00 0.00 0.00 179.01 180.70 1sfw n THR 47 N -3.83 0.38 -2.27 -1.06 -1.04 -0.98 -1.34 114.28 104.14 1sfw n THR 47 Ca -0.02 -0.40 -0.42 0.00 -2.04 0.00 0.00 64.05 61.17 1sfw n THR 47 Cb 0.19 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 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 -2.31 2.86 0.00 -1.42 -0.00 0.37 -0.34 115.22 114.38 1sfw n HIS 48 Ca 0.01 -2.79 0.00 0.00 0.46 0.00 0.00 57.72 55.40 1sfw n HIS 48 Cb 0.49 -1.93 0.00 0.00 -0.12 0.00 0.00 29.99 28.43 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 3.53 0.00 0.06 0.26 8.00 -1.24 -4.81 116.55 122.35 1sfw n ASP 49 Ca 0.44 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.78 1sfw n ASP 49 Cb 0.34 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.30 1sfw n ASP 49 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1sfw h ASN 50 N 0.00 0.34 -0.51 -2.24 2.35 -1.08 -2.57 115.58 111.87 1sfw h ASN 50 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1sfw h ASN 50 Cb 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1sfw h ASN 50 CO 0.00 1.38 0.00 0.00 -1.65 0.00 0.00 177.43 177.16 1sfw h TYR 52 N 3.00 0.00 -0.83 0.00 3.20 -1.41 -3.39 116.97 117.54 1sfw h TYR 52 Ca 0.00 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 1sfw h TYR 52 Cb 0.69 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.84 1sfw h TYR 52 CO 0.34 1.05 -0.41 2.89 -1.64 0.00 0.00 178.16 180.39 1sfw n ARG 53 N -4.51 -0.29 0.00 1.82 0.00 -0.98 -3.97 116.66 108.73 1sfw n ARG 53 Ca -0.23 1.27 0.06 0.00 -0.00 0.00 0.00 57.85 58.96 1sfw n ARG 53 Cb 0.54 -1.87 0.37 0.00 -0.00 0.00 0.00 32.46 31.49 1sfw n ARG 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1sfw n ASP 54 N -5.13 0.00 -0.31 2.89 2.03 -1.26 -0.15 116.55 114.63 1sfw n ASP 54 Ca 0.05 -0.32 0.04 0.00 0.52 0.00 0.00 54.79 55.08 1sfw n ASP 54 Cb 0.27 -0.04 0.19 0.00 -0.72 0.00 0.00 41.12 40.82 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 2.76 1.26 -1.25 -1.67 0.00 -1.87 0.11 119.26 118.60 1sfw h ALA 55 Ca 0.00 0.04 0.37 0.00 0.00 0.00 0.00 54.91 55.31 1sfw h ALA 55 Cb 0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.58 1sfw h ALA 55 CO 0.00 0.10 0.84 1.57 0.00 0.00 0.00 179.25 181.76 1sfw h LYS 56 N 0.82 0.16 -0.01 0.00 2.10 -0.77 -3.07 116.57 115.79 1sfw h LYS 56 Ca 0.43 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1sfw h LYS 56 Cb 0.42 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1sfw h LYS 56 CO -0.26 0.11 -0.43 -1.71 -2.00 0.00 0.00 179.45 175.15 1sfw n ASN 57 N -4.49 1.21 -3.25 7.07 5.15 -0.88 -3.12 115.26 116.95 1sfw n ASN 57 Ca 0.31 -1.11 -0.31 0.00 -0.60 0.00 0.00 54.58 52.88 1sfw n ASN 57 Cb 1.25 0.66 0.00 0.00 -0.53 0.00 0.00 39.78 41.16 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 -0.57 -2.48 -0.15 1.20 7.94 0.33 -4.47 117.00 118.80 1sfw n LEU 58 Ca 0.05 0.56 0.11 0.00 -1.11 0.00 0.00 56.01 55.62 1sfw n LEU 58 Cb 0.27 -0.66 0.44 0.00 0.53 0.00 0.00 43.42 44.00 1sfw n LEU 58 CO 0.22 -3.41 1.20 0.44 -1.11 0.00 0.00 177.39 174.73 1sfw h ASP 59 N 0.12 0.50 0.03 1.96 3.32 -1.93 -2.84 116.42 117.59 1sfw h ASP 59 Ca -0.30 0.01 -0.37 0.00 0.02 0.00 0.00 57.03 56.40 1sfw h ASP 59 Cb 1.10 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.50 1sfw h ASP 59 CO 0.34 0.29 -2.37 -0.24 -1.72 0.00 0.00 179.24 175.55 1sfw n SER 60 N -4.49 0.82 -3.50 6.45 2.88 -1.26 -4.85 113.62 109.67 1sfw n SER 60 Ca 0.12 -0.02 -0.27 0.00 -1.33 0.00 0.00 58.87 57.37 1sfw n SER 60 Cb 0.37 0.38 -0.10 0.00 -0.75 0.00 0.00 64.21 64.11 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 5.46 0.23 0.01 0.00 3.64 -1.73 -2.67 116.57 121.51 1sfw h LYS 62 Ca 0.23 -0.17 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 1sfw h LYS 62 Cb 0.87 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1sfw h LYS 62 CO 0.46 0.78 -0.50 0.27 -2.27 0.00 0.00 179.45 178.19 1sfw h PHE 63 N 0.17 0.50 0.00 1.91 -0.00 -1.90 -3.37 116.94 114.25 1sfw h PHE 63 Ca -0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 57.97 57.69 1sfw h PHE 63 Cb 1.14 -0.05 0.00 0.00 -0.00 0.00 0.00 35.95 37.03 1sfw h PHE 63 CO 0.02 1.10 0.00 1.28 -0.00 0.00 0.00 178.31 180.71 1sfw n LEU 64 N -4.30 0.00 0.00 2.10 7.99 -1.18 -4.82 117.00 116.78 1sfw n LEU 64 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 1sfw n LEU 64 Cb 0.63 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.94 1sfw n LEU 64 CO 0.44 0.00 0.00 1.33 -1.51 0.00 0.00 177.39 177.65 1sfw n VAL 65 N 0.00 -0.24 0.27 4.08 0.24 -1.26 -4.51 118.33 116.90 1sfw n VAL 65 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1sfw n VAL 65 Cb 0.00 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 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 -0.59 -4.64 -1.34 3.32 -1.96 -3.47 116.42 107.74 1sfw h ASP 66 Ca 0.00 -0.06 -0.29 0.00 0.02 0.00 0.00 57.03 56.71 1sfw h ASP 66 Cb 0.00 0.15 -0.15 0.00 0.22 0.00 0.00 39.33 39.56 1sfw h ASP 66 CO 0.00 -0.27 -0.65 0.20 -1.72 0.00 0.00 179.24 176.80 1sfw s ASN 67 N -4.72 1.08 0.00 6.45 -0.87 -1.26 -5.05 114.94 110.57 1sfw s ASN 67 Ca -0.15 -1.22 0.00 0.00 -1.57 0.00 0.00 52.86 49.92 1sfw s ASN 67 Cb 0.02 0.15 0.00 0.00 -0.02 0.00 0.00 41.25 41.41 1sfw s ASN 67 CO 0.53 -0.62 0.31 -0.81 -2.57 0.00 0.00 177.10 173.94 1sfw n PRO 68 N -0.27 0.34 -3.95 -0.60 -0.04 -1.26 -4.19 135.00 125.03 1sfw n PRO 68 Ca -0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 1sfw n PRO 68 Cb 0.64 -1.03 -0.14 0.00 -0.04 0.00 0.00 33.50 32.93 1sfw n PRO 68 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1sfw s TYR 69 N -1.82 3.22 0.00 0.54 1.51 -1.26 -4.43 117.35 115.11 1sfw s TYR 69 Ca 0.00 -3.07 0.00 0.00 -1.01 0.00 0.00 57.07 52.99 1sfw s TYR 69 Cb 0.00 -2.77 0.00 0.00 -0.11 0.00 0.00 41.96 39.08 1sfw s TYR 69 CO 0.00 -0.80 0.00 0.25 -1.11 0.00 0.00 175.55 173.89 1sfw n THR 70 N 3.43 0.00 0.00 -0.71 -2.24 -1.26 -4.70 114.28 108.80 1sfw n THR 70 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1sfw n THR 70 Cb 0.35 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.30 0.00 -3.56 -0.78 4.71 -1.26 -4.47 120.64 114.98 1sfw n GLU 71 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 57.01 1sfw n GLU 71 Cb 0.00 -0.05 -0.06 0.00 -1.01 0.00 0.00 31.44 30.32 1sfw n GLU 71 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1sfw s SER 72 N -2.36 -0.54 0.29 1.62 0.01 -1.26 -4.41 113.70 107.06 1sfw s SER 72 Ca 0.00 0.68 -0.19 0.00 1.31 0.00 0.00 55.95 57.74 1sfw s SER 72 Cb 0.00 0.57 0.02 0.00 0.21 0.00 0.00 66.02 66.82 1sfw s SER 72 CO 0.00 -0.43 0.71 -0.31 0.41 0.00 0.00 173.24 173.62 1sfw s TYR 73 N -0.88 -0.09 -0.41 2.43 1.51 -1.26 -3.50 117.35 115.14 1sfw s TYR 73 Ca -0.05 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1sfw s TYR 73 Cb -0.01 0.69 0.20 0.00 -0.11 0.00 0.00 41.96 42.72 1sfw s TYR 73 CO 0.04 -1.27 0.88 0.45 -1.11 0.00 0.00 175.55 174.54 1sfw s SER 74 N -2.95 -0.90 0.00 2.29 0.15 0.56 -4.86 113.70 107.98 1sfw s SER 74 Ca 0.13 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1sfw s SER 74 Cb -0.05 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 1sfw s SER 74 CO 0.08 -0.05 0.00 0.00 1.20 0.00 0.00 173.24 174.46 1sfw n TYR 75 N 3.19 0.00 -0.96 3.44 4.11 -0.85 -3.75 117.16 122.34 1sfw n TYR 75 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.03 1sfw n TYR 75 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.94 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 0.00 0.00 -4.76 9.48 2.88 -1.26 -4.93 113.62 115.03 1sfw n SER 76 Ca 0.00 -0.17 -0.38 0.00 -1.33 0.00 0.00 58.87 56.98 1sfw n SER 76 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.44 0.00 -0.30 0.00 3.41 -1.01 -4.91 113.62 110.37 1sfw n SER 78 Ca 0.07 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.78 1sfw n SER 78 Cb 0.45 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.60 1sfw n SER 78 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sfw n ASN 79 N 0.00 -0.18 0.00 4.04 3.02 -1.26 -4.59 115.26 116.29 1sfw n ASN 79 Ca 0.00 1.46 0.00 0.00 -0.03 0.00 0.00 54.58 56.01 1sfw n ASN 79 Cb 0.00 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 1sfw n ASN 79 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1sfw n THR 80 N -5.30 0.00 -3.74 3.41 5.66 -1.26 -4.90 114.28 108.15 1sfw n THR 80 Ca 0.18 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.05 1sfw n THR 80 Cb 0.57 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.22 1sfw n THR 80 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1sfw s GLU 81 N 0.00 0.16 0.00 1.09 2.02 -1.21 -4.23 118.70 116.53 1sfw s GLU 81 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1sfw s GLU 81 Cb 0.00 -0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.09 1sfw s GLU 81 CO 0.00 -0.16 0.00 -0.89 0.02 0.00 0.00 175.26 174.23 1sfw n ILE 82 N 4.16 0.00 -2.86 -1.63 -0.00 -1.26 -2.39 119.36 115.37 1sfw n ILE 82 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.50 1sfw n ILE 82 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.17 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 -5.03 114.28 115.04 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 s ASN 85 N -3.70 4.57 -0.40 0.00 6.03 -1.26 -0.32 114.94 119.86 1sfw s ASN 85 Ca 0.00 -1.09 0.10 0.00 -1.03 0.00 0.00 52.86 50.84 1sfw s ASN 85 Cb 0.00 -0.24 0.32 0.00 -3.03 0.00 0.00 41.25 38.31 1sfw s ASN 85 CO 0.00 -0.71 0.81 -1.54 -2.03 0.00 0.00 177.10 173.63 1sfw n SER 86 N -1.42 -0.26 0.24 3.54 3.41 -1.25 -4.78 113.62 113.10 1sfw n SER 86 Ca -0.01 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.44 1sfw n SER 86 Cb 0.64 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 1sfw n SER 86 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1sfw n LYS 87 N 0.54 0.00 -1.88 4.33 0.00 -1.26 -5.06 118.16 114.83 1sfw n LYS 87 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1sfw n LYS 87 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.68 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 -3.48 -8.88 0.00 -5.58 6.94 -1.26 -5.07 115.26 97.93 1sfw n ASN 88 Ca 0.00 1.30 0.00 0.00 -0.02 0.00 0.00 54.58 55.86 1sfw n ASN 88 Cb 0.00 -4.82 0.00 0.00 -2.36 0.00 0.00 39.78 32.60 1sfw n ASN 88 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1sfw n ASN 89 N 1.12 0.00 -0.11 0.53 4.13 -1.26 -4.97 115.26 114.71 1sfw n ASN 89 Ca 0.00 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.11 1sfw n ASN 89 Cb 0.00 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.14 1sfw n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sfw n ALA 90 N -3.00 1.54 -0.04 5.41 0.00 -1.26 -4.33 120.51 118.83 1sfw n ALA 90 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 53.44 52.54 1sfw n ALA 90 Cb 0.00 0.01 0.03 0.00 0.00 0.00 0.00 19.45 19.49 1sfw n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sfw n GLU 92 N -3.99 0.54 0.22 0.00 0.00 -1.26 -4.28 120.64 111.87 1sfw n GLU 92 Ca 0.03 0.23 0.12 0.00 0.00 0.00 0.00 57.16 57.54 1sfw n GLU 92 Cb 0.09 -1.41 0.30 0.00 0.00 0.00 0.00 31.44 30.41 1sfw n GLU 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sfw h ALA 93 N -0.94 0.96 -0.26 -1.84 0.00 -1.69 -1.89 119.26 113.62 1sfw h ALA 93 Ca -0.47 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 1sfw h ALA 93 Cb 1.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1sfw h ALA 93 CO -0.29 0.10 -0.44 0.35 0.00 0.00 0.00 179.25 178.98 1sfw h PHE 94 N 0.00 0.78 -0.02 0.00 3.04 -0.62 -3.03 116.94 117.09 1sfw h PHE 94 Ca -0.00 -0.24 -0.00 0.00 3.98 0.00 0.00 57.97 61.71 1sfw h PHE 94 Cb 0.91 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.26 1sfw h PHE 94 CO 0.00 0.97 0.00 0.82 -2.02 0.00 0.00 178.31 178.08 1sfw h ILE 95 N 0.52 1.19 -0.97 1.41 1.08 -1.64 -2.79 117.51 116.31 1sfw h ILE 95 Ca 0.04 -0.57 0.31 0.00 -0.39 0.00 0.00 64.86 64.25 1sfw h ILE 95 Cb 0.97 1.55 -0.18 0.00 -3.07 0.00 0.00 36.82 36.09 1sfw h ILE 95 CO 0.09 0.15 0.19 0.00 -0.69 0.00 0.00 178.15 177.89 1sfw h ASN 97 N 0.00 -0.17 -0.36 0.00 -1.24 -1.37 -2.85 115.58 109.60 1sfw h ASN 97 Ca 0.67 -0.37 -0.01 0.00 0.71 0.00 0.00 56.30 57.29 1sfw h ASN 97 Cb 1.54 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 40.62 1sfw h ASN 97 CO -0.86 0.35 0.17 0.00 -1.29 0.00 0.00 177.43 175.80 1sfw h ASP 99 N 0.44 -1.26 -0.19 0.00 5.19 -1.36 -2.41 116.42 116.82 1sfw h ASP 99 Ca 0.12 0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.66 1sfw h ASP 99 Cb 0.13 0.43 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 1sfw h ASP 99 CO -0.01 -0.59 0.09 0.03 -3.12 0.00 0.00 179.24 175.63 1sfw h ARG 100 N -0.87 0.19 0.00 3.56 2.47 -1.59 0.19 114.38 118.33 1sfw h ARG 100 Ca -0.04 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1sfw h ARG 100 Cb 0.79 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1sfw h ARG 100 CO -0.10 0.13 0.00 -0.97 0.56 0.00 0.00 179.97 179.58 1sfw h ASN 101 N 0.20 0.00 0.05 7.04 -1.24 -1.46 -0.66 115.58 119.51 1sfw h ASN 101 Ca 0.08 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.86 1sfw h ASN 101 Cb 0.02 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.09 1sfw h ASN 101 CO -0.06 0.00 -0.95 0.00 -1.29 0.00 0.00 177.43 175.13 1sfw h ALA 102 N 2.09 0.05 -0.92 1.57 0.00 -1.14 -2.38 119.26 118.51 1sfw h ALA 102 Ca 0.00 -0.68 0.20 0.00 0.00 0.00 0.00 54.91 54.43 1sfw h ALA 102 Cb 0.28 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1sfw h ALA 102 CO 0.00 0.55 0.60 0.00 0.00 0.00 0.00 179.25 180.40 1sfw h ALA 103 N 0.31 2.07 -1.37 0.00 0.00 0.83 0.16 119.26 121.25 1sfw h ALA 103 Ca -0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sfw h ALA 103 Cb 1.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1sfw h ALA 103 CO 0.18 -0.37 0.00 -0.89 0.00 0.00 0.00 179.25 178.17 1sfw n ILE 104 N -4.56 0.00 -0.36 0.00 -0.00 -0.60 -0.86 119.36 112.98 1sfw n ILE 104 Ca 0.20 1.15 0.27 0.00 -0.00 0.00 0.00 62.75 64.37 1sfw n ILE 104 Cb 0.66 -2.10 0.53 0.00 -0.00 0.00 0.00 39.64 38.73 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 0.26 0.43 0.00 0.00 0.04 -0.75 0.83 116.94 117.75 1sfw h PHE 106 Ca 0.74 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 61.32 1sfw h PHE 106 Cb 1.90 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.98 1sfw h PHE 106 CO -0.01 0.92 -0.05 0.66 -0.60 0.00 0.00 178.31 179.23 1sfw h SER 107 N 0.22 0.00 0.00 2.17 4.64 0.11 -3.46 113.55 117.24 1sfw h SER 107 Ca -0.02 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1sfw h SER 107 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1sfw h SER 107 CO 0.11 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.36 1sfw n LYS 108 N -3.02 0.00 -0.28 4.77 -0.00 0.02 -4.91 118.16 114.73 1sfw n LYS 108 Ca 0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.18 1sfw n LYS 108 Cb 0.52 0.00 0.16 0.00 -0.00 0.00 0.00 35.03 35.72 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 -2.89 -1.07 0.58 0.00 0.27 -4.81 120.51 112.60 1sfw n ALA 109 Ca 0.00 -0.84 -0.43 0.00 0.00 0.00 0.00 53.44 52.17 1sfw n ALA 109 Cb 0.33 -0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.86 1.26 -1.48 0.00 -0.02 -1.26 -4.94 135.00 125.70 1sfw n PRO 110 Ca 0.08 -1.72 -0.33 0.00 -2.02 0.00 0.00 63.50 59.50 1sfw n PRO 110 Cb 0.33 -2.87 0.08 0.00 -0.02 0.00 0.00 33.50 31.02 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 5.49 2.31 -0.33 6.00 5.04 -1.26 -4.19 117.35 130.41 1sfw s TYR 111 Ca 0.60 1.59 0.04 0.00 -2.44 0.00 0.00 57.07 56.86 1sfw s TYR 111 Cb 0.14 -3.28 0.16 0.00 0.35 0.00 0.00 41.96 39.33 1sfw s TYR 111 CO 0.16 -2.14 0.44 -0.80 -1.34 0.00 0.00 175.55 171.87 1sfw s ASN 112 N -2.48 0.21 -1.29 4.32 -0.87 -1.26 -5.00 114.94 108.58 1sfw s ASN 112 Ca 0.69 -0.79 -0.05 0.00 -1.57 0.00 0.00 52.86 51.14 1sfw s ASN 112 Cb -0.23 1.13 0.15 0.00 -0.02 0.00 0.00 41.25 42.27 1sfw s ASN 112 CO 0.46 -0.29 2.25 2.29 -2.57 0.00 0.00 177.10 179.24 1sfw n LYS 113 N 4.87 4.55 0.20 -0.60 -0.00 -1.26 -3.96 118.16 121.95 1sfw n LYS 113 Ca 0.06 -3.60 0.00 0.00 -0.00 0.00 0.00 58.31 54.77 1sfw n LYS 113 Cb 0.50 -2.65 0.00 0.00 -0.00 0.00 0.00 35.03 32.88 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 1.82 0.00 -2.91 -1.58 4.07 -1.26 -4.83 120.64 115.94 1sfw n GLU 114 Ca 0.58 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 57.24 1sfw n GLU 114 Cb 0.26 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.60 1sfw n GLU 114 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 1sfw s HIS 115 N -1.94 2.76 0.00 4.31 -3.43 -1.25 -4.80 115.29 110.94 1sfw s HIS 115 Ca 0.00 -0.53 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 1sfw s HIS 115 Cb 0.00 -4.16 0.00 0.00 -1.43 0.00 0.00 32.58 26.99 1sfw s HIS 115 CO 0.00 -1.51 0.00 0.36 -2.00 0.00 0.00 174.74 171.59 1sfw n LYS 116 N 7.36 4.19 0.00 -0.38 -0.00 -1.26 -3.91 118.16 124.16 1sfw n LYS 116 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1sfw n LYS 116 Cb 0.45 -0.65 0.00 0.00 -0.00 0.00 0.00 35.03 34.84 1sfw n LYS 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1sfw n ASN 117 N -0.45 2.50 0.00 -5.58 5.15 -1.26 -3.82 115.26 111.79 1sfw n ASN 117 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1sfw n ASN 117 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1sfw n ASN 117 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1sfw n LEU 118 N -2.17 0.00 0.10 1.20 4.77 -1.26 -4.87 117.00 114.77 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 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 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 -0.11 -1.87 -0.00 -1.43 2.03 -1.26 -5.12 116.55 108.79 1sfw n ASP 119 Ca 0.00 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.73 1sfw n ASP 119 Cb 0.00 1.99 0.00 0.00 -0.72 0.00 0.00 41.12 42.39 1sfw n ASP 119 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1sfw n THR 120 N -2.91 -0.00 0.12 5.18 -2.24 -1.26 -4.94 114.28 108.22 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 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.00 0.00 0.16 -0.78 2.85 -1.26 -4.22 118.16 114.90 1sfw n LYS 121 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 1sfw n LYS 121 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 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 -0.31 0.12 -1.58 1.57 -1.99 -3.34 116.57 111.03 1sfw h LYS 122 Ca 0.00 0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.59 1sfw h LYS 122 Cb 0.00 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1sfw h LYS 122 CO 0.00 -0.21 -1.04 1.88 -0.57 0.00 0.00 179.45 179.51 1sfw h TYR 123 N -0.33 0.45 -0.01 -1.35 0.05 -1.89 -3.50 116.97 110.39 1sfw h TYR 123 Ca -0.03 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.42 1sfw h TYR 123 Cb 0.25 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1sfw h TYR 123 CO -0.06 1.40 0.00 0.00 -1.05 0.00 0.00 178.16 178.45