#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 0.58 -0.33 0.00 7.94 -1.26 -3.13 117.00 120.80 1sfw n LEU 2 Ca 0.00 0.30 0.24 0.00 -1.11 0.00 0.00 56.01 55.44 1sfw n LEU 2 Cb 0.00 -0.61 0.48 0.00 0.53 0.00 0.00 43.42 43.82 1sfw n LEU 2 CO 0.00 -0.48 1.11 4.11 -1.11 0.00 0.00 177.39 181.03 1sfw h TRP 3 N -0.32 0.92 -0.01 1.96 0.09 -1.99 0.31 115.95 116.91 1sfw h TRP 3 Ca 0.00 0.04 -0.15 0.00 0.09 0.00 0.00 58.89 58.86 1sfw h TRP 3 Cb 0.20 -0.24 -0.02 0.00 0.08 0.00 0.00 29.16 29.18 1sfw h TRP 3 CO -0.09 -0.19 -0.71 1.96 0.09 0.00 0.00 178.44 179.51 1sfw h GLN 4 N 0.31 0.07 0.00 0.12 4.20 -1.93 -3.09 115.11 114.80 1sfw h GLN 4 Ca 0.74 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 59.28 1sfw h GLN 4 Cb 1.69 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 1sfw h GLN 4 CO -0.61 0.75 -0.49 0.27 -0.67 0.00 0.00 178.83 178.08 1sfw h PHE 5 N 0.05 0.00 0.00 2.96 -0.00 -0.65 -3.25 116.94 116.05 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 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.21 1sfw h PHE 5 CO 0.01 0.49 0.00 0.54 -0.00 0.00 0.00 178.31 179.35 1sfw n ARG 6 N -3.44 0.54 0.01 6.09 5.12 0.77 -1.08 116.66 124.67 1sfw n ARG 6 Ca 0.00 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.03 1sfw n ARG 6 Cb 0.62 -1.21 -0.15 0.00 -1.16 0.00 0.00 32.46 30.57 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 0.06 0.12 -0.08 0.55 7.64 -1.23 -4.39 113.62 116.28 1sfw n SER 7 Ca 0.00 0.04 -0.17 0.00 1.01 0.00 0.00 58.87 59.75 1sfw n SER 7 Cb 0.10 1.78 -0.13 0.00 -1.01 0.00 0.00 64.21 64.95 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 -2.31 0.68 0.23 1.43 2.81 -0.25 -1.97 117.12 117.74 1sfw n MET 8 Ca -0.03 0.16 0.17 0.00 -1.81 0.00 0.00 57.70 56.19 1sfw n MET 8 Cb 0.57 -1.59 0.85 0.00 -0.71 0.00 0.00 33.22 32.34 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 0.02 0.45 0.00 2.02 1.08 -1.47 0.34 117.51 119.94 1sfw h ILE 9 Ca -0.52 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1sfw h ILE 9 Cb 2.00 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 36.61 1sfw h ILE 9 CO -0.02 0.00 -0.92 2.29 -0.69 0.00 0.00 178.15 178.81 1sfw n LYS 10 N -3.75 0.78 -0.11 2.37 -0.00 -1.26 -4.34 118.16 111.84 1sfw n LYS 10 Ca 0.01 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.31 58.06 1sfw n LYS 10 Cb 0.29 -1.39 -0.11 0.00 -0.00 0.00 0.00 35.03 33.82 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 -3.75 1.25 -2.80 0.00 0.00 0.11 -3.82 120.51 111.50 1sfw n ALA 12 Ca -0.44 0.81 -0.36 0.00 0.00 0.00 0.00 53.44 53.46 1sfw n ALA 12 Cb 0.83 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 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 -5.14 4.91 0.20 0.00 1.09 -1.26 -4.84 121.20 116.16 1sfw s ILE 13 Ca -0.07 0.02 -0.21 0.00 -1.10 0.00 0.00 60.65 59.29 1sfw s ILE 13 Cb 0.29 -3.25 0.14 0.00 -1.06 0.00 0.00 42.46 38.57 1sfw s ILE 13 CO 0.76 0.40 1.57 -0.65 -0.10 0.00 0.00 174.94 176.91 1sfw h PRO 14 N 7.27 -0.11 0.00 2.79 0.11 -1.80 -3.42 132.00 136.84 1sfw h PRO 14 Ca -0.37 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1sfw h PRO 14 Cb 1.17 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sfw h PRO 14 CO 0.66 -0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.79 1sfw n GLY 15 N -1.44 -0.94 0.00 -0.55 0.00 -1.26 -4.79 105.19 96.21 1sfw n GLY 15 Ca 0.06 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.46 0.00 -4.67 1.61 2.88 -1.26 -5.05 113.62 105.68 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 1.97 2.25 0.09 0.66 0.00 -1.26 -4.74 115.29 114.25 1sfw s HIS 17 Ca 0.00 0.40 -0.33 0.00 -3.00 0.00 0.00 55.06 52.14 1sfw s HIS 17 Cb 0.00 -3.82 -0.15 0.00 -4.00 0.00 0.00 32.58 24.60 1sfw s HIS 17 CO 0.00 -3.34 1.60 -1.00 -1.00 0.00 0.00 174.74 171.00 1sfw h PRO 18 N 9.04 -0.83 0.00 -0.38 0.13 -1.86 -3.41 132.00 134.69 1sfw h PRO 18 Ca -0.37 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1sfw h PRO 18 Cb 1.17 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1sfw h PRO 18 CO 0.95 -0.55 0.00 1.28 -0.23 0.00 0.00 178.00 179.45 1sfw n LEU 19 N -5.50 0.00 0.00 1.56 4.77 -1.26 -4.65 117.00 111.92 1sfw n LEU 19 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1sfw n LEU 19 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 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 -1.61 117.12 120.29 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 0.09 0.00 -0.71 0.00 0.00 33.22 32.60 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 -4.47 116.55 120.68 1sfw n ASP 21 Ca 0.00 -0.43 0.00 0.00 0.52 0.00 0.00 54.79 54.88 1sfw n ASP 21 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.67 -0.15 -0.34 -0.67 3.01 -0.64 -4.66 117.46 113.35 1sfw n PHE 22 Ca 0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.59 1sfw n PHE 22 Cb 0.01 0.13 0.22 0.00 -0.01 0.00 0.00 39.48 39.83 1sfw n PHE 22 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1sfw n ASN 23 N -1.76 -0.21 -0.08 4.37 5.15 -1.24 -1.44 115.26 120.05 1sfw n ASN 23 Ca 0.00 1.65 -0.22 0.00 -0.60 0.00 0.00 54.58 55.41 1sfw n ASN 23 Cb 0.00 -0.56 -0.12 0.00 -0.53 0.00 0.00 39.78 38.57 1sfw n ASN 23 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1sfw h ASN 24 N 0.00 0.09 0.00 1.20 4.21 -1.78 -3.19 115.58 116.10 1sfw h ASN 24 Ca 0.54 -0.60 -0.36 0.00 1.21 0.00 0.00 56.30 57.09 1sfw h ASN 24 Cb 1.00 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 38.14 1sfw h ASN 24 CO -0.95 1.57 0.79 0.00 -1.29 0.00 0.00 177.43 177.56 1sfw n TYR 25 N -4.24 0.50 0.00 1.19 4.19 -0.88 -3.77 117.16 114.15 1sfw n TYR 25 Ca -0.32 0.33 0.00 0.00 3.31 0.00 0.00 57.90 61.22 1sfw n TYR 25 Cb 0.76 -1.24 0.00 0.00 0.49 0.00 0.00 39.34 39.35 1sfw n TYR 25 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1sfw n GLY 26 N 3.81 1.25 0.02 2.98 0.00 -1.26 -3.06 105.19 108.93 1sfw n GLY 26 Ca 0.32 0.27 -0.01 0.00 0.00 0.00 0.00 46.02 46.59 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 -2.07 0.00 -0.22 0.00 0.18 -1.17 -3.28 117.16 110.60 1sfw n TYR 28 Ca -0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.72 1sfw n TYR 28 Cb 0.55 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.51 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 2.12 0.03 0.00 0.00 -1.26 -4.67 105.19 101.40 1sfw n GLY 30 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 0.72 0.00 0.99 7.94 -0.70 -4.98 117.00 120.97 1sfw n LEU 31 Ca 0.00 0.35 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 1sfw n LEU 31 Cb 0.00 -0.64 0.00 0.00 0.53 0.00 0.00 43.42 43.31 1sfw n LEU 31 CO 0.00 -0.48 0.00 0.61 -1.11 0.00 0.00 177.39 176.41 1sfw n GLY 32 N 1.66 -2.10 0.00 -3.96 0.00 -0.84 -5.05 105.19 94.90 1sfw n GLY 32 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.33 3.85 0.56 -0.02 0.00 -1.20 -4.99 105.19 103.73 1sfw n GLY 33 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.01 1.61 2.88 -1.25 -4.87 113.62 112.00 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 0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 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 -0.91 -1.94 3.44 0.46 0.00 -1.26 -5.16 105.19 99.82 1sfw n GLY 35 Ca 0.00 0.66 -0.22 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.27 1.94 0.00 2.61 -4.23 -1.26 -5.04 115.64 108.39 1sfw s THR 36 Ca 0.00 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 1sfw s THR 36 Cb 0.00 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1sfw s THR 36 CO 0.00 -0.36 0.00 -0.81 -0.54 0.00 0.00 174.62 172.91 1sfw n PRO 37 N -0.60 2.59 0.08 3.99 -0.04 -1.26 -4.82 135.00 134.94 1sfw n PRO 37 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1sfw n PRO 37 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 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 0.72 -2.18 0.52 0.24 -1.26 -4.90 118.33 111.47 1sfw n VAL 38 Ca 0.00 0.24 -0.28 0.00 -2.04 0.00 0.00 64.34 62.26 1sfw n VAL 38 Cb 0.00 -1.18 0.03 0.00 -1.47 0.00 0.00 33.84 31.22 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 -5.58 5.64 0.23 -1.34 -1.08 -1.26 -4.95 116.67 108.33 1sfw s ASP 39 Ca 0.00 0.94 -0.06 0.00 -0.52 0.00 0.00 52.55 52.91 1sfw s ASP 39 Cb 0.00 -1.89 0.38 0.00 -1.46 0.00 0.00 42.92 39.95 1sfw s ASP 39 CO 0.00 -1.11 1.73 -0.08 0.52 0.00 0.00 175.17 176.23 1sfw h GLU 40 N -0.33 0.39 -0.85 4.34 4.57 -1.97 -1.99 114.58 118.73 1sfw h GLU 40 Ca -0.45 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 57.78 1sfw h GLU 40 Cb 1.25 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.68 1sfw h GLU 40 CO 0.62 0.26 0.52 1.25 -1.18 0.00 0.00 179.01 180.47 1sfw h LEU 41 N 0.40 0.79 -1.16 1.64 7.12 -1.94 -1.74 115.31 120.43 1sfw h LEU 41 Ca 0.37 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.41 1sfw h LEU 41 Cb 0.54 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1sfw h LEU 41 CO -0.38 0.49 0.00 0.44 -0.13 0.00 0.00 178.44 178.86 1sfw h ASP 42 N 0.92 0.00 -0.06 1.25 5.19 -1.88 -3.08 116.42 118.75 1sfw h ASP 42 Ca 0.38 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.77 1sfw h ASP 42 Cb 0.23 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 1sfw h ASP 42 CO -0.19 0.00 -0.05 0.03 -3.12 0.00 0.00 179.24 175.91 1sfw h ARG 43 N 0.00 0.14 0.00 3.56 2.47 -0.54 0.65 114.38 120.66 1sfw h ARG 43 Ca 0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1sfw h ARG 43 Cb 0.45 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1sfw h ARG 43 CO 0.00 0.56 0.00 0.00 0.56 0.00 0.00 179.97 181.09 1sfw h GLU 46 N 0.07 0.30 -0.01 0.00 4.22 -0.26 -2.91 114.58 116.00 1sfw h GLU 46 Ca -0.36 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.06 1sfw h GLU 46 Cb 2.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1sfw h GLU 46 CO 0.12 0.20 -0.26 2.41 -2.18 0.00 0.00 179.01 179.30 1sfw n THR 47 N -4.98 0.00 0.00 0.32 -1.04 -0.47 -0.98 114.28 107.13 1sfw n THR 47 Ca 0.01 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1sfw n THR 47 Cb 0.11 0.42 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 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 -0.61 0.00 -0.28 -1.42 -0.00 -0.47 -1.39 115.22 111.04 1sfw n HIS 48 Ca 0.12 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 58.02 1sfw n HIS 48 Cb 0.35 -0.39 0.34 0.00 -0.00 0.00 0.00 29.99 30.29 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 -1.70 0.05 0.13 0.26 8.00 -1.11 0.73 116.55 122.92 1sfw n ASP 49 Ca 0.00 1.40 -0.02 0.00 0.71 0.00 0.00 54.79 56.89 1sfw n ASP 49 Cb 0.00 -0.58 0.14 0.00 -0.02 0.00 0.00 41.12 40.66 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 0.00 -0.24 -2.24 2.35 -1.10 -1.64 115.58 112.71 1sfw h ASN 50 Ca 0.58 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.33 1sfw h ASN 50 Cb 1.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.74 1sfw h ASN 50 CO -0.73 0.66 0.00 0.00 -1.65 0.00 0.00 177.43 175.71 1sfw n TYR 52 N 0.50 0.78 -0.34 0.00 9.36 0.22 -4.13 117.16 123.54 1sfw n TYR 52 Ca 0.16 0.34 0.14 0.00 3.32 0.00 0.00 57.90 61.85 1sfw n TYR 52 Cb 0.35 -1.08 0.28 0.00 -0.63 0.00 0.00 39.34 38.26 1sfw n TYR 52 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1sfw h ARG 53 N -1.00 0.01 0.00 2.98 -0.00 -1.66 -3.36 114.38 111.35 1sfw h ARG 53 Ca -0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.54 1sfw h ARG 53 Cb 1.38 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.35 1sfw h ARG 53 CO -0.26 0.01 0.00 -3.47 -0.00 0.00 0.00 179.97 176.24 1sfw n ASP 54 N -5.49 0.00 -0.11 0.08 2.03 -1.26 -2.97 116.55 108.84 1sfw n ASP 54 Ca 0.23 -1.10 -0.13 0.00 0.52 0.00 0.00 54.79 54.30 1sfw n ASP 54 Cb 0.74 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.06 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 2.22 -0.71 0.00 -1.67 0.00 -1.87 -1.07 119.26 116.16 1sfw h ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sfw h ALA 55 Cb 0.00 1.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1sfw h ALA 55 CO 0.00 -1.01 0.00 1.17 0.00 0.00 0.00 179.25 179.41 1sfw n LYS 56 N -5.40 0.00 -0.02 0.00 4.81 -1.16 -4.21 118.16 112.19 1sfw n LYS 56 Ca -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.38 1sfw n LYS 56 Cb 0.35 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.39 1sfw n LYS 56 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1sfw n ASN 57 N -1.46 1.00 -0.49 3.14 5.15 -0.50 -4.17 115.26 117.94 1sfw n ASN 57 Ca 0.00 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 1sfw n ASN 57 Cb 0.00 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.80 1sfw n ASN 57 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1sfw n LEU 58 N -3.47 0.00 0.06 1.20 4.77 -0.63 -4.33 117.00 114.59 1sfw n LEU 58 Ca -0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 1sfw n LEU 58 Cb 0.18 -1.47 -0.14 0.00 -2.33 0.00 0.00 43.42 39.66 1sfw n LEU 58 CO 0.07 0.00 -0.16 -0.78 -1.33 0.00 0.00 177.39 175.19 1sfw h ASP 59 N -0.98 0.25 0.00 -1.43 3.58 -1.94 -3.41 116.42 112.49 1sfw h ASP 59 Ca 0.00 -0.32 -0.15 0.00 0.42 0.00 0.00 57.03 56.98 1sfw h ASP 59 Cb 0.25 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 1sfw h ASP 59 CO 0.00 1.26 -1.58 -0.24 -2.88 0.00 0.00 179.24 175.79 1sfw n SER 60 N -3.40 3.10 -4.16 2.28 2.88 -1.26 -4.93 113.62 108.12 1sfw n SER 60 Ca -0.10 -0.03 -0.36 0.00 -1.33 0.00 0.00 58.87 57.05 1sfw n SER 60 Cb 1.01 0.18 -0.13 0.00 -0.75 0.00 0.00 64.21 64.53 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 8.05 0.78 -3.07 0.00 5.09 -1.82 -3.25 116.57 122.35 1sfw h LYS 62 Ca -0.18 -0.29 0.00 0.00 0.09 0.00 0.00 60.65 60.28 1sfw h LYS 62 Cb 1.06 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.34 1sfw h LYS 62 CO 0.62 0.90 -0.79 0.34 -2.09 0.00 0.00 179.45 178.43 1sfw n PHE 63 N -4.34 -3.56 0.06 0.07 7.35 -1.26 -4.45 117.46 111.33 1sfw n PHE 63 Ca -0.01 1.92 -0.09 0.00 -0.76 0.00 0.00 57.45 58.52 1sfw n PHE 63 Cb 0.35 -3.06 -0.06 0.00 0.35 0.00 0.00 39.48 37.05 1sfw n PHE 63 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 1sfw h LEU 64 N 0.45 -0.22 0.00 -2.13 -0.00 -1.96 -3.48 115.31 107.97 1sfw h LEU 64 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1sfw h LEU 64 Cb 0.60 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1sfw h LEU 64 CO 0.00 0.33 0.00 0.55 -0.00 0.00 0.00 178.44 179.32 1sfw n VAL 65 N -4.94 0.00 0.00 0.15 3.14 -1.26 -5.08 118.33 110.34 1sfw n VAL 65 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1sfw n VAL 65 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 1sfw n VAL 65 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1sfw n ASP 66 N 0.00 -0.06 -0.02 6.55 -0.08 -1.26 -4.48 116.55 117.19 1sfw n ASP 66 Ca 0.00 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1sfw n ASP 66 Cb 0.00 0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.74 1sfw n ASP 66 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1sfw n ASN 67 N -2.25 -1.28 -0.17 1.67 4.13 -1.26 -4.58 115.26 111.52 1sfw n ASN 67 Ca 0.00 0.02 0.29 0.00 1.68 0.00 0.00 54.58 56.57 1sfw n ASN 67 Cb 0.00 0.91 0.64 0.00 -1.54 0.00 0.00 39.78 39.79 1sfw n ASN 67 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1sfw h PRO 68 N 0.03 0.00 0.00 3.52 0.11 -2.02 -3.40 132.00 130.25 1sfw h PRO 68 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1sfw h PRO 68 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1sfw h PRO 68 CO 0.00 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.45 1sfw n TYR 69 N -3.65 -3.67 -1.72 0.65 4.01 -1.26 -5.08 117.16 106.44 1sfw n TYR 69 Ca 0.20 0.99 -0.31 0.00 -0.16 0.00 0.00 57.90 58.63 1sfw n TYR 69 Cb 1.20 2.56 0.04 0.00 -0.31 0.00 0.00 39.34 42.83 1sfw n TYR 69 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1sfw s THR 70 N -2.00 4.09 0.00 -0.72 -1.32 -1.26 -4.78 115.64 109.64 1sfw s THR 70 Ca 0.00 0.68 0.00 0.00 -1.21 0.00 0.00 61.69 61.16 1sfw s THR 70 Cb 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 1sfw s THR 70 CO 0.00 -0.88 0.00 -0.62 -2.21 0.00 0.00 174.62 170.91 1sfw n GLU 71 N -3.01 0.00 -0.98 7.08 -0.58 -1.26 -4.74 120.64 117.15 1sfw n GLU 71 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1sfw n GLU 71 Cb 0.55 -0.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 1sfw n GLU 71 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1sfw n SER 72 N -0.86 1.11 0.00 1.62 2.88 -1.26 -4.71 113.62 112.40 1sfw n SER 72 Ca 0.00 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 1sfw n SER 72 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.28 0.00 -2.71 0.66 4.01 -1.26 -3.68 117.16 113.89 1sfw n TYR 73 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1sfw n TYR 73 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.27 0.00 7.72 0.15 -0.39 -4.93 113.70 115.98 1sfw s SER 74 Ca 0.00 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1sfw s SER 74 Cb 0.00 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1sfw s SER 74 CO 0.00 -0.02 0.00 0.00 1.20 0.00 0.00 173.24 174.42 1sfw n TYR 75 N 3.16 0.00 -3.61 3.44 4.11 -1.23 -2.97 117.16 120.06 1sfw n TYR 75 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.98 1sfw n TYR 75 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.98 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 0.00 9.48 7.64 -1.26 -4.90 113.62 124.57 1sfw n SER 76 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1sfw n SER 76 Cb 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1sfw n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sfw s SER 78 N 0.00 -0.16 0.00 0.00 0.01 0.33 -4.91 113.70 108.97 1sfw s SER 78 Ca 0.00 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1sfw s SER 78 Cb 0.00 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1sfw s SER 78 CO 0.00 -0.19 0.00 0.59 0.41 0.00 0.00 173.24 174.05 1sfw n ASN 79 N 4.57 0.00 -1.41 2.44 3.02 -1.26 -1.17 115.26 121.44 1sfw n ASN 79 Ca -0.20 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.37 1sfw n ASN 79 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1sfw n ASN 79 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1sfw n THR 80 N 0.00 0.01 -3.67 3.41 -2.24 -1.26 -4.74 114.28 105.79 1sfw n THR 80 Ca 0.00 -0.82 -0.10 0.00 -2.27 0.00 0.00 64.05 60.86 1sfw n THR 80 Cb 0.00 0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.03 0.28 0.00 -0.78 2.02 -0.32 -4.21 118.70 115.66 1sfw s GLU 81 Ca 0.27 0.90 0.00 0.00 0.02 0.00 0.00 54.97 56.16 1sfw s GLU 81 Cb 0.31 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.70 1sfw s GLU 81 CO -0.14 -0.24 0.00 -0.89 0.02 0.00 0.00 175.26 174.01 1sfw n ILE 82 N 5.18 0.00 0.00 -1.63 5.41 -1.26 -0.51 119.36 126.54 1sfw n ILE 82 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1sfw n ILE 82 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 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 -4.81 114.28 115.26 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 0.00 0.92 -0.37 0.00 6.03 -1.16 -1.27 114.94 119.09 1sfw s ASN 85 Ca 0.00 -1.51 0.12 0.00 -1.03 0.00 0.00 52.86 50.44 1sfw s ASN 85 Cb 0.00 0.39 0.36 0.00 -3.03 0.00 0.00 41.25 38.97 1sfw s ASN 85 CO 0.00 -0.88 0.78 -1.20 -2.03 0.00 0.00 177.10 173.76 1sfw n SER 86 N -0.71 0.63 0.07 3.54 7.64 -1.25 -4.86 113.62 118.68 1sfw n SER 86 Ca 0.03 -3.03 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1sfw n SER 86 Cb 0.65 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.25 0.00 -1.31 1.43 0.00 -1.26 -5.10 118.16 112.17 1sfw n LYS 87 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1sfw n LYS 87 Cb 0.68 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.70 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 -2.73 -7.08 0.00 -5.58 0.23 -1.26 -5.08 115.26 93.77 1sfw n ASN 88 Ca 0.00 1.57 0.00 0.00 -0.53 0.00 0.00 54.58 55.62 1sfw n ASN 88 Cb 0.00 -4.10 0.00 0.00 -2.08 0.00 0.00 39.78 33.60 1sfw n ASN 88 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1sfw n ASN 89 N -2.48 0.00 0.05 0.53 0.23 -1.26 -4.93 115.26 107.40 1sfw n ASN 89 Ca -0.00 0.00 0.22 0.00 -0.53 0.00 0.00 54.58 54.26 1sfw n ASN 89 Cb 0.41 0.00 0.70 0.00 -2.08 0.00 0.00 39.78 38.81 1sfw n ASN 89 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sfw h ALA 90 N 0.00 2.23 -0.85 -2.53 0.00 -1.93 -1.46 119.26 114.72 1sfw h ALA 90 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1sfw h ALA 90 Cb 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.71 1sfw h ALA 90 CO 0.00 -0.83 -0.45 0.00 0.00 0.00 0.00 179.25 177.97 1sfw h GLU 92 N 0.00 0.00 -0.13 0.00 9.09 -1.57 -3.38 114.58 118.59 1sfw h GLU 92 Ca 0.19 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.62 1sfw h GLU 92 Cb 0.40 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 1sfw h GLU 92 CO -0.81 0.00 0.09 0.00 0.05 0.00 0.00 179.01 178.34 1sfw h ALA 93 N -1.36 2.04 -0.07 1.06 0.00 -1.58 -0.38 119.26 118.97 1sfw h ALA 93 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1sfw h ALA 93 Cb 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sfw h ALA 93 CO 0.00 -0.06 -0.75 0.35 0.00 0.00 0.00 179.25 178.78 1sfw h PHE 94 N 0.07 0.53 -0.36 0.00 3.04 -1.39 -1.20 116.94 117.62 1sfw h PHE 94 Ca 0.06 -0.24 -0.06 0.00 3.98 0.00 0.00 57.97 61.70 1sfw h PHE 94 Cb 0.14 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 1sfw h PHE 94 CO -0.00 1.00 -0.02 0.82 -2.02 0.00 0.00 178.31 178.09 1sfw h ILE 95 N 0.26 1.26 -0.95 1.41 5.03 -1.39 -2.84 117.51 120.29 1sfw h ILE 95 Ca -0.03 -1.03 0.17 0.00 -0.12 0.00 0.00 64.86 63.85 1sfw h ILE 95 Cb 1.33 1.20 -0.08 0.00 -3.03 0.00 0.00 36.82 36.24 1sfw h ILE 95 CO 0.13 0.34 0.60 0.00 -0.68 0.00 0.00 178.15 178.54 1sfw h ASN 97 N 0.69 0.75 -0.36 0.00 -1.24 -0.99 -0.79 115.58 113.64 1sfw h ASN 97 Ca 0.51 -0.37 -0.10 0.00 0.71 0.00 0.00 56.30 57.05 1sfw h ASN 97 Cb 0.87 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 1sfw h ASN 97 CO -0.27 0.95 -0.16 0.00 -1.29 0.00 0.00 177.43 176.66 1sfw h ASP 99 N 0.54 -0.88 -0.37 0.00 3.32 -1.21 -1.09 116.42 116.73 1sfw h ASP 99 Ca 0.08 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1sfw h ASP 99 Cb 0.70 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1sfw h ASP 99 CO 0.05 -0.45 0.23 0.03 -1.72 0.00 0.00 179.24 177.38 1sfw h ARG 100 N -0.65 0.50 0.00 3.56 2.47 -1.24 0.18 114.38 119.21 1sfw h ARG 100 Ca -0.01 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1sfw h ARG 100 Cb 0.60 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1sfw h ARG 100 CO -0.09 0.37 0.00 0.09 0.56 0.00 0.00 179.97 180.90 1sfw n ASN 101 N -4.80 0.03 0.02 7.04 3.02 -0.83 -1.38 115.26 118.36 1sfw n ASN 101 Ca -0.00 0.51 -0.09 0.00 -0.03 0.00 0.00 54.58 54.96 1sfw n ASN 101 Cb 0.05 -0.51 -0.13 0.00 -0.61 0.00 0.00 39.78 38.57 1sfw n ASN 101 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sfw h ALA 102 N 2.39 0.56 -0.30 5.41 0.00 -0.41 -1.70 119.26 125.21 1sfw h ALA 102 Ca 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 54.91 53.76 1sfw h ALA 102 Cb 0.20 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1sfw h ALA 102 CO 0.00 1.41 0.21 0.00 0.00 0.00 0.00 179.25 180.87 1sfw h ALA 103 N 0.92 2.19 -1.77 0.00 0.00 0.58 -0.10 119.26 121.07 1sfw h ALA 103 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1sfw h ALA 103 Cb 1.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1sfw h ALA 103 CO 0.11 -0.26 0.00 -0.89 0.00 0.00 0.00 179.25 178.21 1sfw n ILE 104 N -4.47 0.00 -0.37 0.00 -0.00 -0.93 -1.50 119.36 112.10 1sfw n ILE 104 Ca 0.04 0.54 0.29 0.00 -0.00 0.00 0.00 62.75 63.62 1sfw n ILE 104 Cb 0.32 -1.15 0.58 0.00 -0.00 0.00 0.00 39.64 39.40 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 0.24 0.27 0.00 0.00 0.04 -1.15 -0.59 116.94 115.76 1sfw h PHE 106 Ca 0.67 -0.19 -0.09 0.00 2.80 0.00 0.00 57.97 61.16 1sfw h PHE 106 Cb 1.97 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 40.09 1sfw h PHE 106 CO -0.00 1.14 -0.41 1.03 -0.60 0.00 0.00 178.31 179.46 1sfw h SER 107 N 0.05 0.00 0.00 2.17 0.87 0.12 -3.45 113.55 113.31 1sfw h SER 107 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1sfw h SER 107 Cb 1.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 1sfw h SER 107 CO 0.17 0.41 0.00 2.29 -0.53 0.00 0.00 176.83 179.17 1sfw n LYS 108 N -3.54 0.00 -0.20 2.24 -0.00 0.29 -4.96 118.16 111.99 1sfw n LYS 108 Ca -0.00 -0.06 -0.14 0.00 -0.00 0.00 0.00 58.31 58.11 1sfw n LYS 108 Cb 0.53 -0.06 0.14 0.00 -0.00 0.00 0.00 35.03 35.64 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 -2.45 -1.32 0.58 0.00 -0.24 -4.81 120.51 112.27 1sfw n ALA 109 Ca 0.00 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.31 1sfw n ALA 109 Cb 0.49 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.97 1.71 -1.54 0.00 -0.02 -1.26 -4.94 135.00 125.97 1sfw n PRO 110 Ca 0.06 -2.01 -0.33 0.00 -2.02 0.00 0.00 63.50 59.20 1sfw n PRO 110 Cb 0.28 -3.03 0.07 0.00 -0.02 0.00 0.00 33.50 30.80 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 5.21 2.36 -0.28 6.00 5.04 -1.26 -4.08 117.35 130.34 1sfw s TYR 111 Ca 0.57 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.79 1sfw s TYR 111 Cb 0.13 -3.27 0.17 0.00 0.35 0.00 0.00 41.96 39.33 1sfw s TYR 111 CO 0.09 -2.08 0.47 -0.80 -1.34 0.00 0.00 175.55 171.89 1sfw s ASN 112 N -2.46 -0.37 -1.05 4.32 0.01 -1.26 -4.99 114.94 109.14 1sfw s ASN 112 Ca 0.69 0.14 -0.06 0.00 -0.71 0.00 0.00 52.86 52.92 1sfw s ASN 112 Cb -0.23 1.49 0.28 0.00 0.41 0.00 0.00 41.25 43.19 1sfw s ASN 112 CO 0.45 -0.31 1.17 2.29 -1.51 0.00 0.00 177.10 179.18 1sfw n LYS 113 N 5.38 3.66 0.19 -0.60 0.00 -1.26 -4.03 118.16 121.50 1sfw n LYS 113 Ca -0.00 -4.50 0.00 0.00 -0.00 0.00 0.00 58.31 53.81 1sfw n LYS 113 Cb 0.51 -2.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.03 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 2.11 0.00 -3.18 -1.58 4.07 -1.26 -4.95 120.64 115.86 1sfw n GLU 114 Ca 0.25 0.00 -0.45 0.00 -0.06 0.00 0.00 57.16 56.90 1sfw n GLU 114 Cb 0.37 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.70 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 -1.84 3.08 0.00 4.31 -3.43 -1.26 -4.82 115.29 111.33 1sfw s HIS 115 Ca 0.00 -0.95 0.00 0.00 -0.80 0.00 0.00 55.06 53.31 1sfw s HIS 115 Cb 0.00 -3.81 0.00 0.00 -1.43 0.00 0.00 32.58 27.34 1sfw s HIS 115 CO 0.00 -1.15 0.00 0.36 -2.00 0.00 0.00 174.74 171.95 1sfw n LYS 116 N 6.00 0.98 -1.07 -0.38 -0.00 -1.26 -3.99 118.16 118.43 1sfw n LYS 116 Ca -0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.05 1sfw n LYS 116 Cb 0.43 -0.75 0.19 0.00 -0.00 0.00 0.00 35.03 34.90 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 -1.63 3.32 -2.35 -5.58 2.85 -1.26 -2.08 115.26 108.53 1sfw n ASN 117 Ca 0.00 -3.66 0.00 0.00 -0.11 0.00 0.00 54.58 50.81 1sfw n ASN 117 Cb 0.25 -0.76 0.00 0.00 1.24 0.00 0.00 39.78 40.51 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 -1.11 0.00 0.00 1.20 4.32 -1.26 -4.99 117.00 115.16 1sfw n LEU 118 Ca 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 1sfw n LEU 118 Cb 1.44 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 43.24 1sfw n LEU 118 CO 0.45 -0.77 0.00 -0.67 -1.22 0.00 0.00 177.39 175.18 1sfw n ASP 119 N -2.85 0.00 -0.63 -1.43 -0.08 -1.26 -4.81 116.55 105.49 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 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.47 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 -1.52 -0.42 0.01 5.18 -2.24 -1.26 -4.92 114.28 109.11 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 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 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 -0.63 0.00 0.20 -0.78 2.85 -1.22 -4.29 118.16 114.30 1sfw n LYS 121 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1sfw n LYS 121 Cb 0.21 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.51 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 -0.43 0.03 -1.58 1.57 -1.98 -3.36 116.57 110.81 1sfw h LYS 122 Ca 0.00 0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.59 1sfw h LYS 122 Cb 0.00 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1sfw h LYS 122 CO 0.00 -0.27 -0.99 1.88 -0.57 0.00 0.00 179.45 179.50 1sfw h TYR 123 N -0.48 0.32 0.00 -1.35 0.05 -1.88 -3.53 116.97 110.10 1sfw h TYR 123 Ca -0.05 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1sfw h TYR 123 Cb 0.36 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1sfw h TYR 123 CO -0.05 1.06 0.00 0.00 -1.05 0.00 0.00 178.16 178.13