#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isu s THR 2 N 0.00 2.99 -0.50 2.61 -4.23 -1.26 -0.93 115.64 114.31 1isu s THR 2 Ca 0.00 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 1isu s THR 2 Cb 0.00 -2.84 0.13 0.00 1.34 0.00 0.00 72.50 71.13 1isu s THR 2 CO 0.00 -0.26 0.25 0.21 -0.54 0.00 0.00 174.62 174.28 1isu s ASN 3 N -3.73 4.59 0.37 3.99 3.84 -1.26 -4.82 114.94 117.92 1isu s ASN 3 Ca 0.34 -2.81 0.07 0.00 0.21 0.00 0.00 52.86 50.67 1isu s ASN 3 Cb -0.03 -1.68 0.74 0.00 -0.55 0.00 0.00 41.25 39.72 1isu s ASN 3 CO 0.20 -0.29 1.93 0.00 -2.79 0.00 0.00 177.10 176.15 1isu h ALA 4 N 6.83 1.50 -0.12 1.71 0.00 -1.97 -1.47 119.26 125.74 1isu h ALA 4 Ca -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1isu h ALA 4 Cb 0.93 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1isu h ALA 4 CO 0.67 0.36 0.02 0.00 0.00 0.00 0.00 179.25 180.30 1isu h ALA 5 N 1.61 0.15 -0.27 0.00 0.00 -1.99 -1.71 119.26 117.06 1isu h ALA 5 Ca 0.08 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1isu h ALA 5 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1isu h ALA 5 CO 0.01 -0.20 -0.35 0.52 0.00 0.00 0.00 179.25 179.23 1isu h MET 6 N -0.03 0.58 -0.62 0.00 2.86 -1.92 -1.14 114.93 114.66 1isu h MET 6 Ca 0.04 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1isu h MET 6 Cb 0.28 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1isu h MET 6 CO 0.00 0.85 0.36 0.00 1.06 0.00 0.00 176.91 179.18 1isu h ARG 7 N 0.49 0.86 -0.54 1.72 3.08 -1.22 -2.25 114.38 116.53 1isu h ARG 7 Ca 0.05 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1isu h ARG 7 Cb 0.84 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1isu h ARG 7 CO 0.07 0.64 0.15 -0.22 -1.07 0.00 0.00 179.97 179.54 1isu h LYS 8 N 0.85 0.85 -0.94 0.04 3.64 -1.12 -0.82 116.57 119.08 1isu h LYS 8 Ca 0.22 -0.20 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1isu h LYS 8 Cb 0.02 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.65 1isu h LYS 8 CO -0.04 0.79 0.58 0.00 -2.27 0.00 0.00 179.45 178.52 1isu h ALA 9 N 1.02 1.35 -0.56 5.00 0.00 -0.66 -2.74 119.26 122.66 1isu h ALA 9 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1isu h ALA 9 Cb 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1isu h ALA 9 CO -0.00 0.27 0.00 1.19 0.00 0.00 0.00 179.25 180.71 1isu n PHE 10 N -4.62 1.20 -3.89 0.00 3.72 -0.90 -4.97 117.46 108.00 1isu n PHE 10 Ca 0.16 -0.61 -0.27 0.00 -0.05 0.00 0.00 57.45 56.68 1isu n PHE 10 Cb 0.26 -0.19 0.01 0.00 -0.94 0.00 0.00 39.48 38.61 1isu n PHE 10 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1isu n ASN 11 N 0.88 -2.18 -4.77 4.37 3.02 -0.51 -1.12 115.26 114.95 1isu n ASN 11 Ca 0.23 -0.88 -0.40 0.00 -0.03 0.00 0.00 54.58 53.49 1isu n ASN 11 Cb 0.79 -3.58 0.01 0.00 -0.61 0.00 0.00 39.78 36.40 1isu n ASN 11 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1isu s TYR 12 N -3.60 2.46 0.05 3.10 6.14 -0.43 -4.51 117.35 120.55 1isu s TYR 12 Ca 0.27 1.22 0.01 0.00 0.64 0.00 0.00 57.07 59.21 1isu s TYR 12 Cb -0.14 -3.97 -0.03 0.00 0.42 0.00 0.00 41.96 38.23 1isu s TYR 12 CO 0.85 -3.04 -0.05 1.14 0.64 0.00 0.00 175.55 175.10 1isu s GLN 13 N -2.38 0.54 0.00 4.97 -2.07 0.03 -4.95 119.66 115.80 1isu s GLN 13 Ca 0.59 -0.95 0.15 0.00 -1.82 0.00 0.00 55.36 53.33 1isu s GLN 13 Cb -0.45 -0.02 0.61 0.00 -1.09 0.00 0.00 33.01 32.06 1isu s GLN 13 CO 0.59 -0.04 1.44 -0.40 -1.32 0.00 0.00 175.29 175.56 1isu n ASP 14 N 0.85 1.14 -4.41 12.60 5.75 -1.26 -1.65 116.55 129.56 1isu n ASP 14 Ca -0.19 -1.76 -0.20 0.00 -0.01 0.00 0.00 54.79 52.63 1isu n ASP 14 Cb 0.58 -0.10 -0.10 0.00 -1.03 0.00 0.00 41.12 40.46 1isu n ASP 14 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1isu s THR 15 N -1.80 1.43 0.62 2.12 -4.23 -1.25 -4.23 115.64 108.30 1isu s THR 15 Ca 0.25 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.57 1isu s THR 15 Cb 0.13 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1isu s THR 15 CO 0.19 -0.25 1.02 0.00 -0.54 0.00 0.00 174.62 175.04 1isu s ALA 16 N -3.15 3.11 -0.28 3.99 0.00 -0.85 -3.31 121.76 121.28 1isu s ALA 16 Ca 0.30 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.15 1isu s ALA 16 Cb 0.05 -3.03 0.07 0.00 0.00 0.00 0.00 23.12 20.21 1isu s ALA 16 CO 0.12 -0.70 -0.07 0.21 0.00 0.00 0.00 175.76 175.32 1isu s LYS 17 N -5.16 2.02 -1.45 0.00 2.20 -0.77 -4.73 119.74 111.85 1isu s LYS 17 Ca 0.55 -1.49 -0.09 0.00 -0.36 0.00 0.00 55.97 54.58 1isu s LYS 17 Cb -0.11 -2.97 0.05 0.00 -1.51 0.00 0.00 37.83 33.29 1isu s LYS 17 CO 0.53 -0.67 0.73 0.09 -0.36 0.00 0.00 175.35 175.67 1isu n ASN 18 N 4.39 -5.06 0.00 1.43 3.02 -1.26 -1.23 115.26 116.54 1isu n ASN 18 Ca -0.09 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 1isu n ASN 18 Cb 0.42 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 1isu n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1isu n GLY 19 N -1.51 1.40 3.69 7.41 0.00 -1.26 -5.02 105.19 109.90 1isu n GLY 19 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1isu n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isu s LYS 20 N -0.31 4.33 0.08 1.61 1.02 -0.37 -5.04 119.74 121.06 1isu s LYS 20 Ca 0.00 0.85 -0.07 0.00 0.02 0.00 0.00 55.97 56.77 1isu s LYS 20 Cb 0.00 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 1isu s LYS 20 CO 0.00 -0.13 0.14 -1.59 -0.92 0.00 0.00 175.35 172.85 1isu s LYS 21 N 1.50 0.79 0.27 1.68 -2.85 -1.26 -1.84 119.74 118.03 1isu s LYS 21 Ca 0.35 -1.00 -0.00 0.00 -1.00 0.00 0.00 55.97 54.32 1isu s LYS 21 Cb -0.17 0.31 0.62 0.00 -2.06 0.00 0.00 37.83 36.54 1isu s LYS 21 CO 0.14 -0.23 1.67 0.00 0.10 0.00 0.00 175.35 177.03 1isu h SER 23 N 0.27 0.00 -0.47 0.00 4.64 -1.22 -1.01 113.55 115.76 1isu h SER 23 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1isu h SER 23 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1isu h SER 23 CO -0.58 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.99 1isu n GLY 24 N -1.00 2.93 3.87 -0.77 0.00 0.05 -4.98 105.19 105.30 1isu n GLY 24 Ca -0.02 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 1isu n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isu h ALA 26 N 5.05 1.00 0.00 0.00 0.00 -0.50 -2.88 119.26 121.93 1isu h ALA 26 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1isu h ALA 26 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1isu h ALA 26 CO 0.59 0.00 -0.39 1.04 0.00 0.00 0.00 179.25 180.49 1isu n GLN 27 N -2.83 0.07 -2.34 0.00 1.13 -1.26 -4.92 117.38 107.22 1isu n GLN 27 Ca -0.00 0.03 -0.38 0.00 -1.94 0.00 0.00 57.00 54.70 1isu n GLN 27 Cb 0.21 -1.55 -0.03 0.00 0.11 0.00 0.00 30.24 28.98 1isu n GLN 27 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1isu s PHE 28 N -3.04 3.17 -0.33 1.08 5.36 -1.09 -1.38 117.98 121.75 1isu s PHE 28 Ca 0.11 1.58 0.03 0.00 -0.96 0.00 0.00 56.93 57.69 1isu s PHE 28 Cb 0.17 -3.36 0.09 0.00 -0.34 0.00 0.00 43.02 39.58 1isu s PHE 28 CO 0.66 -1.15 0.04 0.08 -1.46 0.00 0.00 175.22 173.39 1isu s VAL 29 N -1.39 2.38 0.68 3.12 1.01 -0.15 -4.94 120.40 121.11 1isu s VAL 29 Ca 0.55 -2.18 -0.17 0.00 0.00 0.00 0.00 61.98 60.18 1isu s VAL 29 Cb -0.30 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1isu s VAL 29 CO 0.38 -0.50 1.24 -2.65 0.00 0.00 0.00 175.10 173.58 1isu n PRO 30 N 4.32 0.89 -0.57 2.72 -0.02 -1.26 -0.77 135.00 140.30 1isu n PRO 30 Ca -0.00 0.36 -0.06 0.00 -2.02 0.00 0.00 63.50 61.79 1isu n PRO 30 Cb 0.42 -2.48 0.04 0.00 -0.02 0.00 0.00 33.50 31.46 1isu n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1isu n GLY 31 N 0.88 -0.64 0.37 -1.23 0.00 -1.25 -4.76 105.19 98.55 1isu n GLY 31 Ca 0.15 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.50 1isu n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isu h ALA 32 N -1.53 1.66 -2.12 4.61 0.00 -1.88 -3.43 119.26 116.56 1isu h ALA 32 Ca -0.08 0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.38 1isu h ALA 32 Cb 0.25 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 17.72 1isu h ALA 32 CO 0.07 0.11 -0.68 -1.54 0.00 0.00 0.00 179.25 177.21 1isu s SER 33 N -5.78 2.49 0.39 0.00 1.04 -1.26 -5.02 113.70 105.56 1isu s SER 33 Ca -0.11 -1.18 0.27 0.00 0.48 0.00 0.00 55.95 55.42 1isu s SER 33 Cb 0.22 -0.12 1.38 0.00 0.10 0.00 0.00 66.02 67.60 1isu s SER 33 CO 0.80 -0.37 1.83 -0.65 0.98 0.00 0.00 173.24 175.83 1isu h PRO 34 N 2.37 0.00 -0.01 4.02 0.11 -2.01 -2.11 132.00 134.36 1isu h PRO 34 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1isu h PRO 34 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1isu h PRO 34 CO 0.66 0.00 -0.37 0.25 -0.21 0.00 0.00 178.00 178.33 1isu n THR 35 N -2.48 0.00 -2.34 -1.15 -2.24 -1.26 -4.82 114.28 99.99 1isu n THR 35 Ca -0.01 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 1isu n THR 35 Cb 0.11 1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 1isu n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1isu s ALA 36 N -2.00 3.16 0.50 6.98 0.00 -0.79 -4.79 121.76 124.82 1isu s ALA 36 Ca 0.14 -0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.83 1isu s ALA 36 Cb 0.14 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.22 1isu s ALA 36 CO 0.44 -0.35 1.26 0.00 0.00 0.00 0.00 175.76 177.10 1isu s ALA 37 N -2.77 2.92 0.00 0.00 0.00 -1.26 -4.29 121.76 116.36 1isu s ALA 37 Ca 0.55 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1isu s ALA 37 Cb -0.10 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1isu s ALA 37 CO 0.40 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1isu n GLY 38 N 0.58 6.13 3.73 0.00 0.00 0.37 -3.85 105.19 112.15 1isu n GLY 38 Ca 0.08 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 1isu n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1isu s GLY 39 N 0.00 3.02 -0.17 -0.02 0.00 0.05 -1.82 107.32 108.37 1isu s GLY 39 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.25 1isu s GLY 39 CO 0.00 -2.14 0.43 0.00 0.00 0.00 0.00 173.10 171.39 1isu h LYS 41 N 6.14 0.00 0.00 0.00 1.57 -1.59 -2.82 116.57 119.88 1isu h LYS 41 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1isu h LYS 41 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1isu h LYS 41 CO 0.26 0.18 -0.43 0.28 -0.57 0.00 0.00 179.45 179.17 1isu n VAL 42 N -4.02 0.05 -3.48 0.50 0.31 -1.26 -4.41 118.33 106.02 1isu n VAL 42 Ca -0.02 -0.04 -0.27 0.00 -0.01 0.00 0.00 64.34 64.01 1isu n VAL 42 Cb 0.26 0.07 -0.09 0.00 -0.91 0.00 0.00 33.84 33.18 1isu n VAL 42 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1isu n ILE 43 N -1.58 0.84 -1.82 2.52 5.41 -1.06 -5.01 119.36 118.65 1isu n ILE 43 Ca 0.05 -4.54 -0.38 0.00 1.00 0.00 0.00 62.75 58.89 1isu n ILE 43 Cb 0.35 -2.01 0.04 0.00 -0.71 0.00 0.00 39.64 37.31 1isu n ILE 43 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1isu s PRO 44 N -1.49 3.09 -0.83 0.38 0.04 -1.25 -3.39 135.00 131.54 1isu s PRO 44 Ca 0.34 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1isu s PRO 44 Cb 0.09 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1isu s PRO 44 CO -0.11 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.14 1isu n GLY 45 N 0.72 0.57 2.94 0.56 0.00 -1.26 -4.77 105.19 103.94 1isu n GLY 45 Ca 0.11 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 1isu n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1isu s ASP 46 N -2.77 2.11 -0.20 1.61 -1.08 -1.22 -4.09 116.67 111.03 1isu s ASP 46 Ca 0.00 -0.31 0.13 0.00 -0.52 0.00 0.00 52.55 51.85 1isu s ASP 46 Cb 0.00 -0.85 0.42 0.00 -1.46 0.00 0.00 42.92 41.02 1isu s ASP 46 CO 0.00 -0.08 1.28 -0.46 0.52 0.00 0.00 175.17 176.43 1isu n ASN 47 N 4.69 2.34 -0.64 -0.34 0.23 -0.11 -4.40 115.26 117.02 1isu n ASN 47 Ca -0.15 -3.54 0.06 0.00 -0.53 0.00 0.00 54.58 50.42 1isu n ASN 47 Cb 0.50 -0.53 0.18 0.00 -2.08 0.00 0.00 39.78 37.85 1isu n ASN 47 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1isu n GLN 48 N -1.14 1.35 -2.29 -3.83 6.02 -1.19 -4.36 117.38 111.93 1isu n GLN 48 Ca 0.22 -3.05 -0.43 0.00 -0.01 0.00 0.00 57.00 53.73 1isu n GLN 48 Cb 0.78 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.61 1isu n GLN 48 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1isu s ILE 49 N -2.78 4.06 0.12 5.09 -1.09 -0.76 -4.82 121.20 121.01 1isu s ILE 49 Ca 0.36 1.28 -0.30 0.00 -2.23 0.00 0.00 60.65 59.77 1isu s ILE 49 Cb 0.36 -3.83 -0.06 0.00 -1.58 0.00 0.00 42.46 37.35 1isu s ILE 49 CO -0.07 -0.11 1.07 0.00 -1.23 0.00 0.00 174.94 174.61 1isu s ALA 50 N 3.59 3.32 0.58 9.38 0.00 -1.26 -0.48 121.76 136.89 1isu s ALA 50 Ca 0.61 0.73 0.28 0.00 0.00 0.00 0.00 51.96 53.58 1isu s ALA 50 Cb -0.25 -3.35 1.74 0.00 0.00 0.00 0.00 23.12 21.26 1isu s ALA 50 CO 0.20 -0.22 2.21 -1.00 0.00 0.00 0.00 175.76 176.95 1isu h PRO 51 N 5.78 0.00 -0.41 0.00 0.13 -1.87 -1.18 132.00 134.46 1isu h PRO 51 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1isu h PRO 51 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1isu h PRO 51 CO 0.74 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.92 1isu n GLY 52 N -1.36 1.35 0.59 1.56 0.00 -1.26 -0.76 105.19 105.31 1isu n GLY 52 Ca -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 1isu n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isu n GLY 53 N 1.38 -0.49 3.50 -0.02 0.00 -0.45 -2.00 105.19 107.12 1isu n GLY 53 Ca 0.18 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 1isu n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1isu s TYR 54 N -1.02 -0.47 0.12 1.61 5.04 -0.66 -0.55 117.35 121.42 1isu s TYR 54 Ca 0.11 0.53 -0.10 0.00 -2.44 0.00 0.00 57.07 55.17 1isu s TYR 54 Cb -0.00 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.81 1isu s TYR 54 CO 0.08 -0.60 0.26 0.00 -1.34 0.00 0.00 175.55 173.95 1isu h ASP 56 N 2.61 0.00 -0.04 0.00 3.32 -1.35 -2.18 116.42 118.78 1isu h ASP 56 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1isu h ASP 56 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1isu h ASP 56 CO 0.52 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.04 1isu n ALA 57 N -2.19 2.56 -1.59 3.45 0.00 -1.26 -4.93 120.51 116.54 1isu n ALA 57 Ca -0.03 -0.16 -0.47 0.00 0.00 0.00 0.00 53.44 52.78 1isu n ALA 57 Cb 0.09 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1isu n ALA 57 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1isu n PHE 58 N -0.50 1.40 -3.69 0.00 7.35 -0.82 -4.95 117.46 116.23 1isu n PHE 58 Ca 0.10 0.66 -0.13 0.00 -0.76 0.00 0.00 57.45 57.32 1isu n PHE 58 Cb 0.09 -2.29 -0.13 0.00 0.35 0.00 0.00 39.48 37.50 1isu n PHE 58 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 1isu s ILE 59 N -0.49 -0.23 0.27 -2.13 2.07 -1.26 -5.05 121.20 114.38 1isu s ILE 59 Ca 0.67 0.22 -0.30 0.00 -1.41 0.00 0.00 60.65 59.83 1isu s ILE 59 Cb -0.77 -0.40 -0.11 0.00 0.13 0.00 0.00 42.46 41.31 1isu s ILE 59 CO 0.55 0.09 1.60 0.54 -1.91 0.00 0.00 174.94 175.81 1isu s VAL 60 N 1.87 2.10 0.03 4.00 0.11 -1.26 0.15 120.40 127.40 1isu s VAL 60 Ca -0.04 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.80 1isu s VAL 60 Cb -0.11 -3.05 -0.04 0.00 -1.53 0.00 0.00 36.38 31.64 1isu s VAL 60 CO -0.08 0.01 1.02 -1.59 -3.33 0.00 0.00 175.10 171.13 1isu s LYS 61 N -0.21 4.56 0.00 1.54 -2.85 -0.68 -4.38 119.74 117.72 1isu s LYS 61 Ca 0.65 1.50 0.18 0.00 -1.00 0.00 0.00 55.97 57.30 1isu s LYS 61 Cb -0.48 -3.42 0.14 0.00 -2.06 0.00 0.00 37.83 32.02 1isu s LYS 61 CO 0.45 -0.05 1.07 1.63 0.10 0.00 0.00 175.35 178.56