#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1td7 n LEU 2 N 0.00 0.17 0.02 -4.53 7.94 -0.89 0.13 117.00 119.85 1td7 n LEU 2 Ca 0.00 1.49 -0.12 0.00 -1.11 0.00 0.00 56.01 56.27 1td7 n LEU 2 Cb 0.00 -0.66 -0.08 0.00 0.53 0.00 0.00 43.42 43.21 1td7 n LEU 2 CO 0.00 -1.62 0.82 0.22 -1.11 0.00 0.00 177.39 175.70 1td7 h TYR 3 N 0.00 0.02 -0.65 1.96 3.20 -1.98 0.31 116.97 119.82 1td7 h TYR 3 Ca 0.68 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.54 1td7 h TYR 3 Cb 1.70 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.93 1td7 h TYR 3 CO -0.16 0.13 0.36 1.96 -1.64 0.00 0.00 178.16 178.81 1td7 h GLN 4 N -0.10 0.89 -0.29 1.82 4.20 -0.71 0.89 115.11 121.82 1td7 h GLN 4 Ca 0.00 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 1td7 h GLN 4 Cb 0.12 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1td7 h GLN 4 CO -0.00 0.65 -0.17 0.35 -0.67 0.00 0.00 178.83 178.99 1td7 h PHE 5 N 0.90 0.73 -0.79 2.96 3.57 -0.28 -0.22 116.94 123.80 1td7 h PHE 5 Ca 0.23 -0.19 0.10 0.00 3.53 0.00 0.00 57.97 61.64 1td7 h PHE 5 Cb 0.02 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.52 1td7 h PHE 5 CO 0.01 0.88 0.43 0.87 -2.23 0.00 0.00 178.31 178.26 1td7 h LYS 6 N 0.37 0.69 -0.02 1.11 1.57 0.22 -1.57 116.57 118.94 1td7 h LYS 6 Ca 0.06 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1td7 h LYS 6 Cb 0.70 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1td7 h LYS 6 CO 0.05 0.46 -0.64 -0.91 -0.57 0.00 0.00 179.45 177.83 1td7 h ASN 7 N 0.71 0.10 -0.74 0.86 2.35 -0.37 -2.42 115.58 116.08 1td7 h ASN 7 Ca 0.39 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 56.04 1td7 h ASN 7 Cb 0.39 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1td7 h ASN 7 CO -0.26 0.72 0.33 0.24 -1.65 0.00 0.00 177.43 176.80 1td7 h MET 8 N 0.06 1.10 0.36 0.81 2.86 -0.10 -2.88 114.93 117.13 1td7 h MET 8 Ca -0.01 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1td7 h MET 8 Cb 1.15 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1td7 h MET 8 CO 0.09 0.87 -0.17 0.82 1.06 0.00 0.00 176.91 179.58 1td7 h ILE 9 N 1.08 0.63 -0.78 -1.22 2.04 -1.11 -0.92 117.51 117.23 1td7 h ILE 9 Ca 0.26 -0.47 0.23 0.00 1.00 0.00 0.00 64.86 65.87 1td7 h ILE 9 Cb 0.16 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1td7 h ILE 9 CO -0.03 0.09 0.69 1.56 0.00 0.00 0.00 178.15 180.47 1td7 h GLN 10 N -0.76 0.00 0.00 2.37 4.20 -1.41 0.85 115.11 120.37 1td7 h GLN 10 Ca -0.05 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.45 1td7 h GLN 10 Cb 0.51 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 1td7 h GLN 10 CO 0.08 0.00 -1.63 0.00 -0.67 0.00 0.00 178.83 176.61 1td7 n THR 12 N -2.86 1.60 -3.26 0.00 -1.04 0.19 -4.50 114.28 104.40 1td7 n THR 12 Ca -0.14 -0.79 -0.25 0.00 -2.04 0.00 0.00 64.05 60.83 1td7 n THR 12 Cb 0.91 -1.04 -0.07 0.00 -1.82 0.00 0.00 70.33 68.31 1td7 n THR 12 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1td7 n VAL 13 N -3.04 0.80 -0.25 12.58 0.31 0.27 -4.81 118.33 124.19 1td7 n VAL 13 Ca -0.16 -4.64 -0.03 0.00 -0.01 0.00 0.00 64.34 59.50 1td7 n VAL 13 Cb 1.04 -1.85 0.09 0.00 -0.91 0.00 0.00 33.84 32.22 1td7 n VAL 13 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1td7 h PRO 14 N 3.92 0.81 0.00 5.55 0.11 -1.72 -2.32 132.00 138.36 1td7 h PRO 14 Ca 0.13 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1td7 h PRO 14 Cb 0.78 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1td7 h PRO 14 CO 0.64 0.54 0.08 -1.13 -0.21 0.00 0.00 178.00 177.92 1td7 n SER 15 N -4.68 0.12 -3.96 -2.05 3.41 -1.26 -4.55 113.62 100.65 1td7 n SER 15 Ca 0.08 0.49 -0.23 0.00 -0.26 0.00 0.00 58.87 58.96 1td7 n SER 15 Cb 0.11 -0.50 -0.16 0.00 -0.26 0.00 0.00 64.21 63.40 1td7 n SER 15 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1td7 s ARG 17 N -3.01 1.28 0.34 4.33 3.52 -0.87 -5.12 118.95 119.43 1td7 s ARG 17 Ca -0.01 -0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 1td7 s ARG 17 Cb 0.01 -1.15 -0.11 0.00 -1.56 0.00 0.00 34.95 32.14 1td7 s ARG 17 CO 0.04 -0.04 1.53 0.45 -0.81 0.00 0.00 175.30 176.47 1td7 n SER 18 N 3.97 3.76 0.30 -2.12 2.88 -1.26 -4.83 113.62 116.32 1td7 n SER 18 Ca -0.23 1.19 0.17 0.00 -1.33 0.00 0.00 58.87 58.67 1td7 n SER 18 Cb 0.51 -1.60 0.98 0.00 -0.75 0.00 0.00 64.21 63.35 1td7 n SER 18 CO 0.00 0.00 0.00 4.11 -1.23 0.00 0.00 175.04 177.92 1td7 h TRP 19 N 3.74 0.00 0.00 0.66 5.08 -1.92 -2.61 115.95 120.89 1td7 h TRP 19 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 1td7 h TRP 19 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 1td7 h TRP 19 CO 0.55 0.00 0.00 -0.56 -1.28 0.00 0.00 178.44 177.15 1td7 h GLN 20 N 0.00 0.00 0.00 0.12 3.07 -2.00 -1.14 115.11 115.16 1td7 h GLN 20 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1td7 h GLN 20 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1td7 h GLN 20 CO -0.00 0.00 0.00 -0.44 0.09 0.00 0.00 178.83 178.48 1td7 h ASP 21 N 0.00 0.00 -0.00 0.06 5.19 -1.84 -0.29 116.42 119.54 1td7 h ASP 21 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1td7 h ASP 21 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1td7 h ASP 21 CO 0.00 0.00 -0.64 0.49 -3.12 0.00 0.00 179.24 175.97 1td7 n PHE 22 N -2.39 0.00 -0.20 4.55 3.72 -0.44 -4.58 117.46 118.12 1td7 n PHE 22 Ca -0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 1td7 n PHE 22 Cb 0.11 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.67 1td7 n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1td7 h ALA 23 N 2.02 0.75 -2.75 4.37 0.00 -1.01 -3.39 119.26 119.26 1td7 h ALA 23 Ca 0.00 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 54.06 1td7 h ALA 23 Cb 0.34 -0.21 -0.39 0.00 0.00 0.00 0.00 17.79 17.53 1td7 h ALA 23 CO 0.00 0.52 -0.81 0.34 0.00 0.00 0.00 179.25 179.30 1td7 s ASP 24 N -6.36 3.26 -0.14 0.00 2.15 -1.25 -3.42 116.67 110.91 1td7 s ASP 24 Ca -0.12 -2.19 -0.12 0.00 0.43 0.00 0.00 52.55 50.55 1td7 s ASP 24 Cb 0.13 -0.59 0.04 0.00 -0.30 0.00 0.00 42.92 42.19 1td7 s ASP 24 CO 0.83 -0.32 0.37 -0.47 -0.17 0.00 0.00 175.17 175.41 1td7 s TYR 25 N 1.00 -0.44 0.00 -5.34 6.14 -1.02 -1.69 117.35 116.00 1td7 s TYR 25 Ca 0.17 1.04 0.00 0.00 0.64 0.00 0.00 57.07 58.91 1td7 s TYR 25 Cb -0.22 0.16 0.00 0.00 0.42 0.00 0.00 41.96 42.31 1td7 s TYR 25 CO -0.04 -0.23 0.00 0.41 0.64 0.00 0.00 175.55 176.33 1td7 n GLY 26 N 3.27 0.97 0.00 8.97 0.00 0.06 -2.45 105.19 116.02 1td7 n GLY 26 Ca -0.16 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.31 1td7 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1td7 n TYR 28 N -1.59 0.00 -1.87 0.00 4.02 -1.25 -4.25 117.16 112.22 1td7 n TYR 28 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.49 1td7 n TYR 28 Cb 0.34 -0.26 -0.03 0.00 -0.02 0.00 0.00 39.34 39.37 1td7 n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1td7 n GLY 30 N 5.36 0.51 3.95 0.00 0.00 -1.22 -2.43 105.19 111.37 1td7 n GLY 30 Ca 0.24 -1.32 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 1td7 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1td7 s LYS 31 N 0.00 1.26 0.00 1.61 -2.85 -1.26 -4.98 119.74 113.51 1td7 s LYS 31 Ca 0.00 -0.65 0.00 0.00 -1.00 0.00 0.00 55.97 54.32 1td7 s LYS 31 Cb 0.00 -2.07 0.00 0.00 -2.06 0.00 0.00 37.83 33.70 1td7 s LYS 31 CO 0.00 -1.88 0.00 0.41 0.10 0.00 0.00 175.35 173.98 1td7 n GLY 32 N -3.30 -2.02 2.71 0.59 0.00 -1.26 -4.54 105.19 97.36 1td7 n GLY 32 Ca 0.14 -1.36 -0.07 0.00 0.00 0.00 0.00 46.02 44.73 1td7 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1td7 n GLY 33 N -0.91 0.55 3.20 -0.02 0.00 -1.26 -4.67 105.19 102.07 1td7 n GLY 33 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1td7 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1td7 s SER 34 N -1.05 -0.01 0.00 1.61 1.04 -1.26 -5.14 113.70 108.89 1td7 s SER 34 Ca 0.20 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1td7 s SER 34 Cb 0.31 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1td7 s SER 34 CO -0.08 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1td7 n GLY 35 N 0.62 -2.28 3.63 7.32 0.00 -1.22 -4.83 105.19 108.43 1td7 n GLY 35 Ca -0.19 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 1td7 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1td7 s THR 36 N -0.35 5.06 -0.09 2.61 2.01 -1.26 -5.02 115.64 118.60 1td7 s THR 36 Ca 0.00 0.96 -0.33 0.00 0.31 0.00 0.00 61.69 62.63 1td7 s THR 36 Cb 0.00 -3.86 -0.11 0.00 0.01 0.00 0.00 72.50 68.54 1td7 s THR 36 CO 0.00 0.10 1.92 -2.65 -0.69 0.00 0.00 174.62 173.30 1td7 n PRO 37 N 5.37 2.22 0.25 4.92 -0.02 -1.26 -4.77 135.00 141.70 1td7 n PRO 37 Ca -0.03 0.80 0.09 0.00 -2.02 0.00 0.00 63.50 62.34 1td7 n PRO 37 Cb 0.50 -2.71 0.63 0.00 -0.02 0.00 0.00 33.50 31.90 1td7 n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1td7 h VAL 38 N 5.63 0.82 -2.52 -1.45 -1.51 -1.95 -3.46 116.25 111.81 1td7 h VAL 38 Ca -0.48 -0.58 0.15 0.00 -1.23 0.00 0.00 66.70 64.57 1td7 h VAL 38 Cb 1.27 1.34 -0.07 0.00 -2.13 0.00 0.00 31.29 31.69 1td7 h VAL 38 CO 0.95 0.15 0.42 1.51 -1.23 0.00 0.00 177.57 179.36 1td7 s ASP 39 N -6.53 -0.20 0.27 4.19 1.47 -1.26 -4.99 116.67 109.61 1td7 s ASP 39 Ca -0.03 -0.46 0.10 0.00 1.18 0.00 0.00 52.55 53.34 1td7 s ASP 39 Cb 0.14 0.55 0.86 0.00 -0.34 0.00 0.00 42.92 44.13 1td7 s ASP 39 CO 0.63 -1.02 1.22 0.47 0.68 0.00 0.00 175.17 177.15 1td7 n ASP 40 N -0.47 0.12 0.05 2.11 8.00 -1.26 0.78 116.55 125.88 1td7 n ASP 40 Ca -0.06 1.30 -0.06 0.00 0.71 0.00 0.00 54.79 56.69 1td7 n ASP 40 Cb 0.60 -0.57 0.13 0.00 -0.02 0.00 0.00 41.12 41.27 1td7 n ASP 40 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1td7 h LEU 41 N 0.00 0.42 -0.68 0.64 5.85 -1.93 -0.72 115.31 118.89 1td7 h LEU 41 Ca 0.58 -0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.96 1td7 h LEU 41 Cb 1.42 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1td7 h LEU 41 CO -0.65 0.84 -0.50 -0.78 -0.34 0.00 0.00 178.44 177.01 1td7 h ASP 42 N 0.31 0.44 -0.17 1.25 3.58 0.01 -2.41 116.42 119.44 1td7 h ASP 42 Ca 0.02 -0.22 -0.09 0.00 0.42 0.00 0.00 57.03 57.16 1td7 h ASP 42 Cb 0.96 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 1td7 h ASP 42 CO 0.08 0.87 -0.18 0.03 -2.88 0.00 0.00 179.24 177.16 1td7 h ARG 43 N 0.32 0.58 -0.61 0.28 3.08 0.44 0.17 114.38 118.65 1td7 h ARG 43 Ca 0.01 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.88 1td7 h ARG 43 Cb 0.99 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 1td7 h ARG 43 CO 0.09 0.73 0.40 0.00 -1.07 0.00 0.00 179.97 180.11 1td7 h GLN 46 N 0.16 0.05 -0.89 0.00 4.15 0.10 0.73 115.11 119.41 1td7 h GLN 46 Ca -0.00 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.45 1td7 h GLN 46 Cb 1.04 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.67 1td7 h GLN 46 CO 0.09 0.16 0.58 0.28 -1.93 0.00 0.00 178.83 178.01 1td7 h VAL 47 N -0.07 1.13 -0.30 2.39 2.07 -1.18 -1.65 116.25 118.63 1td7 h VAL 47 Ca 0.01 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1td7 h VAL 47 Cb 0.13 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1td7 h VAL 47 CO -0.00 0.20 0.13 -0.74 0.02 0.00 0.00 177.57 177.18 1td7 h HIS 48 N 1.09 0.45 -0.35 1.57 -0.00 -0.33 -1.30 115.15 116.28 1td7 h HIS 48 Ca 0.36 -0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.71 1td7 h HIS 48 Cb 0.06 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.31 1td7 h HIS 48 CO -0.00 0.43 0.21 -0.44 -0.00 0.00 0.00 177.93 178.13 1td7 h ASP 49 N 0.34 0.34 -0.14 3.26 3.32 -0.40 -1.76 116.42 121.39 1td7 h ASP 49 Ca 0.10 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1td7 h ASP 49 Cb 0.16 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1td7 h ASP 49 CO -0.01 0.25 0.04 0.78 -1.72 0.00 0.00 179.24 178.58 1td7 h ASN 50 N 0.43 0.05 -0.59 6.45 2.35 -1.17 -0.42 115.58 122.67 1td7 h ASN 50 Ca 0.13 0.02 0.12 0.00 -0.55 0.00 0.00 56.30 56.02 1td7 h ASN 50 Cb -0.01 0.01 -0.11 0.00 0.05 0.00 0.00 38.32 38.26 1td7 h ASN 50 CO -0.06 0.05 -0.12 0.00 -1.65 0.00 0.00 177.43 175.65 1td7 h TYR 52 N 0.02 0.09 -0.78 0.00 -1.99 -0.88 0.62 116.97 114.04 1td7 h TYR 52 Ca 0.29 0.01 0.11 0.00 2.00 0.00 0.00 58.73 61.14 1td7 h TYR 52 Cb 0.45 -0.02 -0.08 0.00 2.00 0.00 0.00 36.73 39.08 1td7 h TYR 52 CO -0.47 0.05 0.41 -0.91 -0.00 0.00 0.00 178.16 177.24 1td7 h ASN 53 N 0.13 0.54 -0.14 3.88 2.35 0.84 0.45 115.58 123.62 1td7 h ASN 53 Ca 0.07 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1td7 h ASN 53 Cb 0.04 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1td7 h ASN 53 CO -0.07 0.29 0.07 -0.33 -1.65 0.00 0.00 177.43 175.74 1td7 h GLU 54 N 0.66 0.20 -0.78 0.81 4.39 0.34 -2.50 114.58 117.71 1td7 h GLU 54 Ca 0.39 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.18 1td7 h GLU 54 Cb 0.44 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1td7 h GLU 54 CO -0.29 0.24 0.51 0.00 -1.16 0.00 0.00 179.01 178.31 1td7 h ALA 55 N 0.95 1.88 -0.20 3.43 0.00 0.26 -0.52 119.26 125.06 1td7 h ALA 55 Ca 0.05 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1td7 h ALA 55 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1td7 h ALA 55 CO -0.01 -0.07 0.20 0.93 0.00 0.00 0.00 179.25 180.30 1td7 h GLU 56 N 0.61 0.00 0.00 0.00 4.39 -0.48 -1.27 114.58 117.83 1td7 h GLU 56 Ca 0.37 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 1td7 h GLU 56 Cb 0.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1td7 h GLU 56 CO -0.14 0.00 -0.10 -0.91 -1.16 0.00 0.00 179.01 176.70 1td7 h ASN 57 N 0.00 0.00 -3.48 1.42 4.21 -1.07 -3.42 115.58 113.24 1td7 h ASN 57 Ca 0.10 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 57.09 1td7 h ASN 57 Cb 0.49 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1td7 h ASN 57 CO -0.00 0.10 0.49 -0.63 -1.29 0.00 0.00 177.43 176.10 1td7 s ILE 58 N -4.44 3.94 0.39 2.81 1.01 -0.48 -4.97 121.20 119.46 1td7 s ILE 58 Ca -0.04 1.60 -0.27 0.00 0.00 0.00 0.00 60.65 61.94 1td7 s ILE 58 Cb 0.14 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 1td7 s ILE 58 CO 0.60 0.24 1.38 -0.94 0.00 0.00 0.00 174.94 176.22 1td7 s SER 59 N 0.18 6.32 -0.77 3.58 1.04 -1.26 -2.32 113.70 120.46 1td7 s SER 59 Ca 0.51 2.82 0.00 0.00 0.48 0.00 0.00 55.95 59.76 1td7 s SER 59 Cb -0.29 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.18 1td7 s SER 59 CO 0.33 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1td7 n GLY 60 N 0.62 0.80 3.43 7.32 0.00 -1.26 -4.97 105.19 111.13 1td7 n GLY 60 Ca 0.03 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1td7 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1td7 s ARG 62 N 1.64 1.99 0.41 0.00 0.52 -1.26 -4.28 118.95 117.97 1td7 s ARG 62 Ca 0.04 -2.29 0.22 0.00 -0.52 0.00 0.00 55.73 53.17 1td7 s ARG 62 Cb -0.20 -3.43 1.19 0.00 0.52 0.00 0.00 34.95 33.04 1td7 s ARG 62 CO 0.09 -1.08 1.74 -1.35 0.02 0.00 0.00 175.30 174.72 1td7 h PRO 63 N 7.14 0.30 0.00 3.54 0.11 -1.93 0.40 132.00 141.57 1td7 h PRO 63 Ca -0.06 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.91 1td7 h PRO 63 Cb 0.96 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1td7 h PRO 63 CO 0.65 0.20 -0.54 1.88 -0.21 0.00 0.00 178.00 179.98 1td7 h TYR 64 N 0.31 0.00 0.00 0.65 -1.99 -1.96 -3.36 116.97 110.62 1td7 h TYR 64 Ca 0.64 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.37 1td7 h TYR 64 Cb 1.76 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.49 1td7 h TYR 64 CO -0.00 0.54 -1.37 1.19 -0.00 0.00 0.00 178.16 178.52 1td7 n PHE 65 N -3.57 0.00 -1.99 4.88 3.72 0.11 -2.08 117.46 118.53 1td7 n PHE 65 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1td7 n PHE 65 Cb 0.62 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 1td7 n PHE 65 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1td7 s LYS 66 N -2.73 4.24 -0.32 -1.08 2.47 0.80 -4.67 119.74 118.46 1td7 s LYS 66 Ca -0.03 2.30 -0.16 0.00 -1.56 0.00 0.00 55.97 56.52 1td7 s LYS 66 Cb 0.08 -3.17 -0.02 0.00 -1.46 0.00 0.00 37.83 33.27 1td7 s LYS 66 CO 0.52 -0.55 0.40 0.99 0.16 0.00 0.00 175.35 176.87 1td7 s THR 67 N 0.99 5.14 0.41 3.43 2.01 -1.26 0.97 115.64 127.33 1td7 s THR 67 Ca 0.68 0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.99 1td7 s THR 67 Cb -0.42 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1td7 s THR 67 CO 0.32 -0.05 0.21 -0.72 -0.69 0.00 0.00 174.62 173.69 1td7 s TYR 68 N 2.11 2.63 -0.20 4.92 -0.85 -1.26 -4.94 117.35 119.76 1td7 s TYR 68 Ca 0.14 -0.56 -0.10 0.00 -0.52 0.00 0.00 57.07 56.04 1td7 s TYR 68 Cb -0.16 -1.97 -0.05 0.00 0.38 0.00 0.00 41.96 40.16 1td7 s TYR 68 CO 0.12 0.15 0.12 0.45 -1.52 0.00 0.00 175.55 174.87 1td7 s SER 69 N -3.94 6.15 0.33 -0.18 0.15 -1.26 -4.94 113.70 110.01 1td7 s SER 69 Ca 0.42 0.22 -0.18 0.00 0.70 0.00 0.00 55.95 57.11 1td7 s SER 69 Cb 0.02 -2.07 0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1td7 s SER 69 CO 0.23 0.19 0.77 -0.72 1.20 0.00 0.00 173.24 174.91 1td7 s TYR 70 N 0.31 -0.02 0.00 3.44 1.13 -1.26 -2.26 117.35 118.70 1td7 s TYR 70 Ca 0.08 -0.55 -0.19 0.00 -1.41 0.00 0.00 57.07 54.99 1td7 s TYR 70 Cb -0.11 0.78 0.04 0.00 -1.10 0.00 0.00 41.96 41.56 1td7 s TYR 70 CO -0.02 -1.40 0.42 -1.83 -2.51 0.00 0.00 175.55 170.22 1td7 s GLU 71 N -3.02 0.85 -0.17 -3.49 -1.05 -0.47 -4.92 118.70 106.42 1td7 s GLU 71 Ca 0.14 -0.18 -0.04 0.00 -0.15 0.00 0.00 54.97 54.74 1td7 s GLU 71 Cb -0.05 0.38 0.06 0.00 -0.44 0.00 0.00 34.13 34.08 1td7 s GLU 71 CO 0.09 -0.27 0.06 0.00 0.95 0.00 0.00 175.26 176.09 1td7 s THR 73 N 2.00 0.02 -1.48 0.00 -4.23 -0.77 -4.93 115.64 106.26 1td7 s THR 73 Ca 0.01 -0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.23 1td7 s THR 73 Cb -0.16 -0.41 0.06 0.00 1.34 0.00 0.00 72.50 73.33 1td7 s THR 73 CO -0.08 -0.10 0.93 0.00 -0.54 0.00 0.00 174.62 174.84 1td7 n GLN 74 N 2.48 -5.76 -0.98 3.99 6.02 -1.26 -1.38 117.38 120.49 1td7 n GLN 74 Ca -0.15 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 1td7 n GLN 74 Cb 0.57 -5.58 0.00 0.00 1.02 0.00 0.00 30.24 26.26 1td7 n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1td7 n GLY 75 N -1.69 0.68 3.43 1.08 0.00 -1.26 -5.03 105.19 102.41 1td7 n GLY 75 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1td7 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1td7 s THR 76 N -2.81 3.13 -0.18 2.61 2.01 -0.48 -5.07 115.64 114.86 1td7 s THR 76 Ca 0.00 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.30 1td7 s THR 76 Cb 0.00 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1td7 s THR 76 CO 0.00 0.56 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.23 1td7 s LEU 77 N -0.17 3.15 -0.06 4.42 2.96 -1.26 -1.84 118.68 125.88 1td7 s LEU 77 Ca 0.00 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1td7 s LEU 77 Cb -0.13 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.81 1td7 s LEU 77 CO 0.03 0.10 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.27 1td7 s THR 78 N 0.76 0.34 -0.18 3.68 2.01 -0.34 -4.99 115.64 116.92 1td7 s THR 78 Ca -0.01 0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 1td7 s THR 78 Cb -0.14 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 1td7 s THR 78 CO 0.02 0.23 0.69 0.00 -0.69 0.00 0.00 174.62 174.86 1td7 s LYS 80 N 1.87 2.67 0.60 0.00 1.02 -0.96 -4.95 119.74 120.00 1td7 s LYS 80 Ca 0.32 0.95 0.39 0.00 0.02 0.00 0.00 55.97 57.65 1td7 s LYS 80 Cb -0.16 -1.96 1.94 0.00 -0.52 0.00 0.00 37.83 37.12 1td7 s LYS 80 CO 0.11 -1.29 2.18 0.78 -0.92 0.00 0.00 175.35 176.22 1td7 h GLY 81 N -0.86 0.00 -3.77 -3.33 0.00 -1.95 -3.28 103.07 89.88 1td7 h GLY 81 Ca -0.44 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.52 1td7 h GLY 81 CO 0.56 0.00 0.38 2.09 0.00 0.00 0.00 176.54 179.57 1td7 n ASP 82 N -3.03 6.42 -4.43 0.19 5.75 -1.26 -4.88 116.55 115.30 1td7 n ASP 82 Ca -0.01 -3.08 -0.33 0.00 -0.01 0.00 0.00 54.79 51.36 1td7 n ASP 82 Cb 0.17 -1.12 -0.14 0.00 -1.03 0.00 0.00 41.12 39.00 1td7 n ASP 82 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1td7 s ASN 83 N 0.31 4.01 1.11 -1.12 0.01 -1.24 -4.82 114.94 113.19 1td7 s ASN 83 Ca 0.39 -0.26 -0.18 0.00 -0.71 0.00 0.00 52.86 52.11 1td7 s ASN 83 Cb 0.28 -1.17 0.26 0.00 0.41 0.00 0.00 41.25 41.03 1td7 s ASN 83 CO -0.06 0.27 1.21 0.54 -1.51 0.00 0.00 177.10 177.55 1td7 s ASN 84 N -0.27 1.78 0.18 -1.22 2.20 -1.26 -4.54 114.94 111.80 1td7 s ASN 84 Ca 0.02 0.43 -0.19 0.00 -0.94 0.00 0.00 52.86 52.18 1td7 s ASN 84 Cb -0.13 -0.54 0.12 0.00 -2.00 0.00 0.00 41.25 38.70 1td7 s ASN 84 CO 0.03 -3.57 1.62 0.00 -2.94 0.00 0.00 177.10 172.24 1td7 h ALA 85 N -2.21 0.10 0.02 3.54 0.00 -1.99 -0.64 119.26 118.09 1td7 h ALA 85 Ca -0.44 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1td7 h ALA 85 Cb 1.26 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 1td7 h ALA 85 CO 0.34 -0.57 -0.11 0.00 0.00 0.00 0.00 179.25 178.90 1td7 h ALA 87 N 0.74 1.16 -0.59 0.00 0.00 -1.80 -2.26 119.26 116.50 1td7 h ALA 87 Ca 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1td7 h ALA 87 Cb 0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1td7 h ALA 87 CO -0.10 0.58 0.29 0.00 0.00 0.00 0.00 179.25 180.02 1td7 h ALA 88 N 1.32 0.77 -0.04 0.00 0.00 -0.86 -0.29 119.26 120.16 1td7 h ALA 88 Ca 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1td7 h ALA 88 Cb -0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1td7 h ALA 88 CO -0.07 0.33 0.00 0.77 0.00 0.00 0.00 179.25 180.28 1td7 h SER 89 N 0.81 0.07 0.12 0.00 0.02 -0.90 -2.01 113.55 111.66 1td7 h SER 89 Ca 0.20 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1td7 h SER 89 Cb 0.12 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1td7 h SER 89 CO -0.03 0.34 -0.06 0.58 -1.14 0.00 0.00 176.83 176.52 1td7 h VAL 90 N -0.20 0.99 -0.74 2.27 2.07 -1.37 0.80 116.25 120.06 1td7 h VAL 90 Ca 0.01 -0.43 0.17 0.00 0.82 0.00 0.00 66.70 67.27 1td7 h VAL 90 Cb 0.30 1.27 -0.12 0.00 -1.52 0.00 0.00 31.29 31.22 1td7 h VAL 90 CO 0.00 0.10 0.13 0.00 0.02 0.00 0.00 177.57 177.83 1td7 h ASP 92 N 0.21 0.64 0.41 0.00 3.58 -0.91 0.35 116.42 120.71 1td7 h ASP 92 Ca 0.42 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1td7 h ASP 92 Cb 0.73 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 1td7 h ASP 92 CO -0.56 0.89 -0.32 0.00 -2.88 0.00 0.00 179.24 176.37 1td7 h ASP 94 N -0.73 0.95 -0.15 0.00 5.19 -0.09 -1.91 116.42 119.68 1td7 h ASP 94 Ca -0.04 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 1td7 h ASP 94 Cb 0.63 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 1td7 h ASP 94 CO -0.01 0.72 0.04 -0.09 -3.12 0.00 0.00 179.24 176.78 1td7 h ARG 95 N 1.10 0.23 -0.69 3.56 2.43 -0.11 0.21 114.38 121.12 1td7 h ARG 95 Ca 0.29 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1td7 h ARG 95 Cb -0.08 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1td7 h ARG 95 CO -0.06 0.37 0.45 -0.07 -1.51 0.00 0.00 179.97 179.15 1td7 h LEU 96 N 0.05 0.75 -0.36 3.80 3.38 -0.91 -1.80 115.31 120.23 1td7 h LEU 96 Ca 0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1td7 h LEU 96 Cb 0.24 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1td7 h LEU 96 CO -0.00 0.54 0.11 0.00 0.09 0.00 0.00 178.44 179.18 1td7 h ALA 97 N 1.27 0.48 -0.85 1.53 0.00 -1.10 -0.51 119.26 120.08 1td7 h ALA 97 Ca 0.27 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1td7 h ALA 97 Cb -0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 1td7 h ALA 97 CO -0.08 0.12 0.52 0.00 0.00 0.00 0.00 179.25 179.81 1td7 h ALA 98 N 0.95 1.17 -0.50 0.00 0.00 -0.50 0.16 119.26 120.54 1td7 h ALA 98 Ca 0.12 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1td7 h ALA 98 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1td7 h ALA 98 CO -0.00 0.25 -0.08 0.82 0.00 0.00 0.00 179.25 180.24 1td7 h ILE 99 N 0.94 1.27 -0.43 0.00 2.04 -0.98 -2.76 117.51 117.59 1td7 h ILE 99 Ca 0.37 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1td7 h ILE 99 Cb 0.19 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1td7 h ILE 99 CO -0.18 0.42 0.26 0.00 0.00 0.00 0.00 178.15 178.66 1td7 h PHE 101 N 0.57 0.47 -0.00 0.00 -1.00 -0.45 -0.43 116.94 116.09 1td7 h PHE 101 Ca 0.15 0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.93 1td7 h PHE 101 Cb -0.02 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 1td7 h PHE 101 CO -0.04 0.06 -0.20 0.00 -1.61 0.00 0.00 178.31 176.52 1td7 h ALA 102 N 1.53 1.66 -0.01 2.45 0.00 -1.30 -2.63 119.26 120.96 1td7 h ALA 102 Ca 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1td7 h ALA 102 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1td7 h ALA 102 CO -0.39 0.26 -0.42 0.41 0.00 0.00 0.00 179.25 179.11 1td7 n GLY 103 N -0.94 -0.65 3.83 0.00 0.00 -0.29 -4.91 105.19 102.24 1td7 n GLY 103 Ca -0.02 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 1td7 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1td7 s ALA 104 N -2.64 3.81 0.46 4.61 0.00 -0.51 -5.08 121.76 122.41 1td7 s ALA 104 Ca 0.19 -0.60 -0.23 0.00 0.00 0.00 0.00 51.96 51.31 1td7 s ALA 104 Cb 0.18 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.16 1td7 s ALA 104 CO 0.60 0.47 1.23 -2.14 0.00 0.00 0.00 175.76 175.92 1td7 s PRO 105 N -0.64 3.70 -0.23 0.00 0.02 -1.26 -4.95 135.00 131.64 1td7 s PRO 105 Ca 0.14 1.94 -0.07 0.00 0.02 0.00 0.00 61.00 63.03 1td7 s PRO 105 Cb -0.12 -2.46 -0.03 0.00 0.02 0.00 0.00 34.50 31.91 1td7 s PRO 105 CO 0.03 -0.65 0.05 -0.47 -0.33 0.00 0.00 177.00 175.64 1td7 s TYR 106 N -1.44 3.09 -0.44 6.54 6.14 -1.26 -4.57 117.35 125.41 1td7 s TYR 106 Ca 0.63 -0.39 -0.07 0.00 0.64 0.00 0.00 57.07 57.89 1td7 s TYR 106 Cb -0.33 -2.18 0.11 0.00 0.42 0.00 0.00 41.96 39.98 1td7 s TYR 106 CO 0.40 -0.28 0.28 1.21 0.64 0.00 0.00 175.55 177.80 1td7 s ASN 107 N 1.34 5.51 0.51 4.32 3.84 -1.26 -4.96 114.94 124.24 1td7 s ASN 107 Ca 0.05 -1.94 0.40 0.00 0.21 0.00 0.00 52.86 51.57 1td7 s ASN 107 Cb -0.15 -1.93 1.58 0.00 -0.55 0.00 0.00 41.25 40.20 1td7 s ASN 107 CO 0.03 -0.62 1.64 0.44 -2.79 0.00 0.00 177.10 175.79 1td7 h ASP 108 N 8.28 0.10 0.62 -4.21 3.32 -1.99 0.92 116.42 123.46 1td7 h ASP 108 Ca -0.18 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1td7 h ASP 108 Cb 1.06 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1td7 h ASP 108 CO 0.79 -0.06 0.00 0.00 -1.72 0.00 0.00 179.24 178.25 1td7 h ALA 109 N 1.30 1.00 -0.41 3.45 0.00 -2.04 -2.54 119.26 120.02 1td7 h ALA 109 Ca 0.82 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.73 1td7 h ALA 109 Cb 3.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.81 1td7 h ALA 109 CO -0.16 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.18 1td7 n ASN 110 N -2.63 2.69 -4.70 0.00 5.03 0.32 -4.85 115.26 111.11 1td7 n ASN 110 Ca 0.00 -1.93 -0.40 0.00 0.87 0.00 0.00 54.58 53.13 1td7 n ASN 110 Cb 0.20 -0.27 -0.05 0.00 -1.02 0.00 0.00 39.78 38.65 1td7 n ASN 110 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1td7 s TYR 111 N -1.46 3.51 -1.13 3.10 5.04 -0.96 -0.76 117.35 124.69 1td7 s TYR 111 Ca 0.35 1.13 -0.03 0.00 -2.44 0.00 0.00 57.07 56.08 1td7 s TYR 111 Cb 0.19 -2.79 -0.03 0.00 0.35 0.00 0.00 41.96 39.68 1td7 s TYR 111 CO 0.26 0.01 0.95 -1.71 -1.34 0.00 0.00 175.55 173.73 1td7 n ASN 112 N 4.17 -4.24 -4.87 4.32 4.05 -0.68 -4.96 115.26 113.04 1td7 n ASN 112 Ca -0.02 -0.67 -0.31 0.00 0.45 0.00 0.00 54.58 54.03 1td7 n ASN 112 Cb 0.51 -5.12 -0.04 0.00 1.23 0.00 0.00 39.78 36.36 1td7 n ASN 112 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1td7 s ILE 113 N -3.38 4.82 -0.66 -1.44 -4.36 -1.26 -4.98 121.20 109.93 1td7 s ILE 113 Ca 0.22 0.59 -0.26 0.00 -0.26 0.00 0.00 60.65 60.94 1td7 s ILE 113 Cb -0.03 -3.68 -0.07 0.00 1.25 0.00 0.00 42.46 39.93 1td7 s ILE 113 CO 0.74 -0.33 2.18 -0.62 0.24 0.00 0.00 174.94 177.16 1td7 s ASP 114 N -2.80 4.65 0.20 4.36 -1.08 -1.26 -4.86 116.67 115.88 1td7 s ASP 114 Ca 0.50 0.34 -0.11 0.00 -0.52 0.00 0.00 52.55 52.76 1td7 s ASP 114 Cb -0.10 -2.53 0.15 0.00 -1.46 0.00 0.00 42.92 38.98 1td7 s ASP 114 CO 0.26 -2.96 1.85 -0.07 0.52 0.00 0.00 175.17 174.77 1td7 h LEU 115 N 19.15 0.71 -1.51 -1.34 3.38 -1.94 0.17 115.31 133.93 1td7 h LEU 115 Ca -0.13 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1td7 h LEU 115 Cb 1.13 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1td7 h LEU 115 CO 1.15 0.50 0.40 0.11 0.09 0.00 0.00 178.44 180.69 1td7 h LYS 116 N 0.85 0.60 0.00 1.13 1.57 -1.93 -2.21 116.57 116.57 1td7 h LYS 116 Ca 0.26 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.78 1td7 h LYS 116 Cb -0.03 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 1td7 h LYS 116 CO -0.08 0.39 -2.23 0.00 -0.57 0.00 0.00 179.45 176.96 1td7 n ALA 117 N -2.47 2.03 0.51 3.86 0.00 -1.03 -4.50 120.51 118.90 1td7 n ALA 117 Ca 0.08 -1.01 0.06 0.00 0.00 0.00 0.00 53.44 52.57 1td7 n ALA 117 Cb 0.21 -0.41 -0.00 0.00 0.00 0.00 0.00 19.45 19.24 1td7 n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1td7 n ARG 118 N -2.55 2.03 -1.09 0.00 1.74 0.02 -4.42 116.66 112.39 1td7 n ARG 118 Ca -0.21 -0.63 -0.00 0.00 -0.77 0.00 0.00 57.85 56.24 1td7 n ARG 118 Cb 0.92 -1.12 0.14 0.00 -1.02 0.00 0.00 32.46 31.38 1td7 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11