#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dpy h LEU 2 N 0.00 0.87 -0.22 1.20 5.85 -1.59 -1.77 115.31 119.65 1dpy h LEU 2 Ca 0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1dpy h LEU 2 Cb 0.00 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1dpy h LEU 2 CO 0.00 0.74 0.10 0.40 -0.34 0.00 0.00 178.44 179.34 1dpy h ILE 3 N 0.97 1.14 -0.88 4.05 5.03 -1.96 -2.68 117.51 123.18 1dpy h ILE 3 Ca 0.24 -0.42 0.03 0.00 -0.12 0.00 0.00 64.86 64.60 1dpy h ILE 3 Cb 0.09 1.01 -0.05 0.00 -3.03 0.00 0.00 36.82 34.84 1dpy h ILE 3 CO -0.03 0.14 0.58 1.56 -0.68 0.00 0.00 178.15 179.72 1dpy h GLN 4 N 0.23 1.07 -0.45 2.37 4.20 -1.88 -2.54 115.11 118.10 1dpy h GLN 4 Ca 0.08 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.73 1dpy h GLN 4 Cb 0.13 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1dpy h GLN 4 CO -0.01 0.71 0.28 0.35 -0.67 0.00 0.00 178.83 179.49 1dpy h PHE 5 N 1.10 0.54 -0.03 2.96 3.57 -1.01 0.34 116.94 124.40 1dpy h PHE 5 Ca 0.35 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.77 1dpy h PHE 5 Cb 0.02 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1dpy h PHE 5 CO -0.00 0.33 -0.41 1.57 -2.23 0.00 0.00 178.31 177.57 1dpy h LYS 6 N 0.58 0.07 -0.03 1.11 2.10 -1.18 -1.41 116.57 117.82 1dpy h LYS 6 Ca 0.17 -0.03 -0.18 0.00 -2.00 0.00 0.00 60.65 58.61 1dpy h LYS 6 Cb -0.04 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 1dpy h LYS 6 CO -0.05 0.48 -0.78 -0.91 -2.00 0.00 0.00 179.45 176.19 1dpy h ASN 7 N 0.06 0.28 0.82 7.07 -0.26 -1.08 -2.47 115.58 120.01 1dpy h ASN 7 Ca 0.00 -0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.54 1dpy h ASN 7 Cb 0.76 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 1dpy h ASN 7 CO 0.06 0.95 0.00 -0.03 -1.06 0.00 0.00 177.43 177.35 1dpy h MET 8 N 0.15 0.00 0.14 0.81 4.05 0.27 -2.85 114.93 117.50 1dpy h MET 8 Ca -0.03 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1dpy h MET 8 Cb 1.36 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.16 1dpy h MET 8 CO 0.12 0.00 -0.07 0.82 0.23 0.00 0.00 176.91 178.01 1dpy h ILE 9 N 0.00 0.71 0.00 1.77 2.04 -0.80 -3.22 117.51 118.01 1dpy h ILE 9 Ca 0.00 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1dpy h ILE 9 Cb 0.41 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1dpy h ILE 9 CO 0.00 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.36 1dpy n GLN 10 N -4.88 0.09 0.05 2.37 10.64 -1.17 -1.03 117.38 123.45 1dpy n GLN 10 Ca -0.06 0.37 -0.11 0.00 -1.83 0.00 0.00 57.00 55.37 1dpy n GLN 10 Cb 0.24 -1.69 -0.08 0.00 -0.86 0.00 0.00 30.24 27.85 1dpy n GLN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1dpy h ALA 12 N -0.29 0.51 -3.21 0.00 0.00 -1.51 -3.39 119.26 111.37 1dpy h ALA 12 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1dpy h ALA 12 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1dpy h ALA 12 CO 0.03 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1dpy n GLY 13 N 0.48 6.64 0.06 0.00 0.00 -0.20 -4.87 105.19 107.30 1dpy n GLY 13 Ca -0.05 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.84 1dpy n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dpy n THR 14 N -0.02 0.74 -2.49 2.61 -2.24 -1.26 -4.65 114.28 106.97 1dpy n THR 14 Ca 0.00 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 1dpy n THR 14 Cb 0.00 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.39 1dpy n THR 14 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dpy s ARG 17 N -2.26 4.48 1.07 -0.78 0.52 -1.26 -4.99 118.95 115.73 1dpy s ARG 17 Ca -0.10 1.69 -0.17 0.00 -0.52 0.00 0.00 55.73 56.63 1dpy s ARG 17 Cb 0.04 -3.36 0.24 0.00 0.52 0.00 0.00 34.95 32.38 1dpy s ARG 17 CO 0.39 -0.17 1.21 0.96 0.02 0.00 0.00 175.30 177.72 1dpy s ILE 18 N 0.86 1.81 0.26 1.52 -0.00 -1.26 -4.47 121.20 119.93 1dpy s ILE 18 Ca 0.56 0.00 0.25 0.00 -0.00 0.00 0.00 60.65 61.46 1dpy s ILE 18 Cb -0.28 -2.75 0.25 0.00 -0.00 0.00 0.00 42.46 39.68 1dpy s ILE 18 CO 0.30 0.00 1.92 4.11 -0.00 0.00 0.00 174.94 181.26 1dpy h TRP 19 N -2.07 0.00 -0.05 1.37 5.08 -1.97 -2.91 115.95 115.41 1dpy h TRP 19 Ca -0.45 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.45 1dpy h TRP 19 Cb 1.27 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.42 1dpy h TRP 19 CO -1.52 0.20 -0.30 1.79 -1.28 0.00 0.00 178.44 177.33 1dpy h THR 20 N 0.00 1.24 0.00 0.12 1.35 -1.99 -2.20 112.91 111.43 1dpy h THR 20 Ca -0.00 -1.12 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1dpy h THR 20 Cb 0.59 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1dpy h THR 20 CO 0.03 0.33 -0.01 0.00 -0.25 0.00 0.00 175.52 175.62 1dpy h ALA 21 N 1.62 1.21 0.00 6.62 0.00 -1.88 -2.61 119.26 124.22 1dpy h ALA 21 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dpy h ALA 21 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1dpy h ALA 21 CO 0.04 0.01 -0.99 0.66 0.00 0.00 0.00 179.25 178.97 1dpy n TYR 22 N -3.40 0.00 -0.28 0.00 4.02 -0.86 -4.57 117.16 112.07 1dpy n TYR 22 Ca -0.03 0.00 0.34 0.00 -0.01 0.00 0.00 57.90 58.20 1dpy n TYR 22 Cb 0.09 -0.08 0.71 0.00 -0.02 0.00 0.00 39.34 40.04 1dpy n TYR 22 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1dpy h VAL 23 N 0.00 0.28 -1.50 -0.72 2.07 -1.13 -3.29 116.25 111.97 1dpy h VAL 23 Ca 0.00 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 1dpy h VAL 23 Cb 0.47 0.33 -0.25 0.00 -1.52 0.00 0.00 31.29 30.32 1dpy h VAL 23 CO 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 177.57 177.01 1dpy s ALA 24 N -4.80 -1.33 0.00 1.67 0.00 -1.26 -4.06 121.76 111.99 1dpy s ALA 24 Ca -0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1dpy s ALA 24 Cb 0.21 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 1dpy s ALA 24 CO 0.72 -2.18 0.02 -0.47 0.00 0.00 0.00 175.76 173.85 1dpy s TYR 25 N 1.57 0.08 0.00 0.00 6.14 -1.07 -3.19 117.35 120.88 1dpy s TYR 25 Ca 0.17 -0.15 0.00 0.00 0.64 0.00 0.00 57.07 57.73 1dpy s TYR 25 Cb -0.10 -0.07 0.00 0.00 0.42 0.00 0.00 41.96 42.22 1dpy s TYR 25 CO -0.05 -0.11 0.00 0.41 0.64 0.00 0.00 175.55 176.44 1dpy n GLY 26 N 2.36 0.94 0.03 8.97 0.00 0.46 -2.21 105.19 115.73 1dpy n GLY 26 Ca -0.18 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.34 1dpy n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dpy n TYR 28 N -2.00 0.00 -2.47 0.00 4.02 -1.25 -3.02 117.16 112.43 1dpy n TYR 28 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1dpy n TYR 28 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.76 1dpy n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dpy n GLY 30 N 3.70 1.18 3.58 0.00 0.00 -1.25 -2.58 105.19 109.81 1dpy n GLY 30 Ca 0.14 -2.26 -0.44 0.00 0.00 0.00 0.00 46.02 43.45 1dpy n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dpy n LYS 31 N -0.79 1.28 0.00 1.61 0.00 -1.26 -4.68 118.16 114.32 1dpy n LYS 31 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 58.31 58.76 1dpy n LYS 31 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 33.22 1dpy n LYS 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dpy n GLY 32 N 1.26 0.96 0.00 3.14 0.00 -1.26 -5.00 105.19 104.29 1dpy n GLY 32 Ca 0.10 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1dpy n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dpy n GLY 33 N 0.00 3.91 3.62 -0.02 0.00 -1.26 -4.74 105.19 106.70 1dpy n GLY 33 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1dpy n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dpy s SER 34 N 0.00 -0.01 0.44 1.61 1.04 -1.17 -5.01 113.70 110.61 1dpy s SER 34 Ca 0.00 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1dpy s SER 34 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1dpy s SER 34 CO 0.00 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.62 1dpy n GLY 35 N -0.42 -0.64 3.54 7.32 0.00 -1.26 -4.53 105.19 109.21 1dpy n GLY 35 Ca -0.02 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 1dpy n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dpy s THR 36 N 0.00 3.80 0.28 2.61 -4.23 -1.26 -4.89 115.64 111.95 1dpy s THR 36 Ca 0.00 -0.42 -0.27 0.00 -1.18 0.00 0.00 61.69 59.82 1dpy s THR 36 Cb 0.00 -2.61 -0.15 0.00 1.34 0.00 0.00 72.50 71.08 1dpy s THR 36 CO 0.00 0.55 0.72 -2.65 -0.54 0.00 0.00 174.62 172.71 1dpy n PRO 37 N 2.83 0.67 0.03 3.99 -0.02 -1.26 -4.82 135.00 136.42 1dpy n PRO 37 Ca -0.18 0.24 -0.14 0.00 -2.02 0.00 0.00 63.50 61.40 1dpy n PRO 37 Cb 0.53 -1.44 -0.14 0.00 -0.02 0.00 0.00 33.50 32.43 1dpy n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1dpy h VAL 38 N 1.38 1.03 -3.47 -1.45 -1.51 -1.92 -3.48 116.25 106.84 1dpy h VAL 38 Ca -0.35 -2.76 -0.23 0.00 -1.23 0.00 0.00 66.70 62.13 1dpy h VAL 38 Cb 1.39 2.63 -0.06 0.00 -2.13 0.00 0.00 31.29 33.12 1dpy h VAL 38 CO 0.57 0.75 -0.19 -0.90 -1.23 0.00 0.00 177.57 176.57 1dpy n ASP 39 N -3.33 -0.59 -0.19 4.19 5.68 -1.26 -5.02 116.55 116.03 1dpy n ASP 39 Ca -0.17 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 51.90 1dpy n ASP 39 Cb 1.04 1.21 0.10 0.00 -1.14 0.00 0.00 41.12 42.33 1dpy n ASP 39 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1dpy h GLU 40 N 0.00 0.24 -0.20 0.11 4.81 -1.94 -0.95 114.58 116.65 1dpy h GLU 40 Ca -0.15 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1dpy h GLU 40 Cb 0.71 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1dpy h GLU 40 CO 0.21 0.16 0.07 1.25 -0.73 0.00 0.00 179.01 179.98 1dpy h LEU 41 N 0.25 0.28 -2.15 1.64 5.85 -1.93 -2.04 115.31 117.20 1dpy h LEU 41 Ca 0.30 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1dpy h LEU 41 Cb 0.45 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1dpy h LEU 41 CO -0.39 0.38 0.06 -0.78 -0.34 0.00 0.00 178.44 177.37 1dpy h ASP 42 N 0.16 0.00 0.33 1.25 3.58 -1.80 0.39 116.42 120.33 1dpy h ASP 42 Ca 0.07 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.36 1dpy h ASP 42 Cb 0.19 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1dpy h ASP 42 CO -0.00 0.00 -0.64 0.03 -2.88 0.00 0.00 179.24 175.75 1dpy h ARG 43 N 0.00 0.29 -0.55 0.28 3.08 -0.54 -0.85 114.38 116.09 1dpy h ARG 43 Ca 0.04 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.90 1dpy h ARG 43 Cb 0.16 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1dpy h ARG 43 CO -0.00 0.83 0.34 0.00 -1.07 0.00 0.00 179.97 180.07 1dpy h TYR 46 N 0.51 -0.03 -0.45 0.00 3.20 -0.60 -1.61 116.97 117.99 1dpy h TYR 46 Ca 0.03 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1dpy h TYR 46 Cb 0.98 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 1dpy h TYR 46 CO 0.04 -0.04 0.15 1.15 -1.64 0.00 0.00 178.16 177.83 1dpy h THR 47 N 0.03 1.22 -0.86 1.81 2.02 -1.26 -2.67 112.91 113.21 1dpy h THR 47 Ca 0.07 -0.71 0.09 0.00 0.77 0.00 0.00 66.41 66.62 1dpy h THR 47 Cb 0.10 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 1dpy h THR 47 CO -0.13 0.26 0.52 -0.74 0.37 0.00 0.00 175.52 175.79 1dpy h HIS 48 N 0.58 0.94 -0.36 3.16 -0.00 -1.02 0.20 115.15 118.65 1dpy h HIS 48 Ca 0.15 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.50 1dpy h HIS 48 Cb 0.25 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 1dpy h HIS 48 CO 0.01 0.42 0.05 -0.44 -0.00 0.00 0.00 177.93 177.96 1dpy h ASP 49 N 0.88 0.59 -0.02 3.26 3.32 -1.12 -1.70 116.42 121.63 1dpy h ASP 49 Ca 0.41 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1dpy h ASP 49 Cb 0.32 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1dpy h ASP 49 CO -0.23 0.71 -0.08 0.45 -1.72 0.00 0.00 179.24 178.37 1dpy h HIS 50 N 0.44 0.26 -0.52 4.55 3.86 -1.07 -0.93 115.15 121.74 1dpy h HIS 50 Ca 0.11 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1dpy h HIS 50 Cb 0.38 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1dpy h HIS 50 CO 0.03 0.34 0.11 0.00 0.86 0.00 0.00 177.93 179.27 1dpy h TYR 52 N 0.73 0.85 -0.52 0.00 -1.99 -0.75 0.19 116.97 115.48 1dpy h TYR 52 Ca 0.16 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 1dpy h TYR 52 Cb 0.36 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.88 1dpy h TYR 52 CO 0.03 0.97 0.29 -0.97 -0.00 0.00 0.00 178.16 178.48 1dpy h ASN 53 N 0.60 0.63 -0.10 3.88 -0.00 -0.93 -1.36 115.58 118.29 1dpy h ASN 53 Ca 0.06 -0.04 -0.16 0.00 -0.00 0.00 0.00 56.30 56.15 1dpy h ASN 53 Cb 0.89 -0.16 0.01 0.00 -0.00 0.00 0.00 38.32 39.06 1dpy h ASN 53 CO 0.08 0.51 -0.57 -0.33 -0.00 0.00 0.00 177.43 177.12 1dpy h GLU 54 N 0.72 0.57 -0.87 6.67 5.08 -0.71 -3.15 114.58 122.88 1dpy h GLU 54 Ca 0.19 -0.47 0.20 0.00 -1.00 0.00 0.00 59.36 58.27 1dpy h GLU 54 Cb 0.01 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1dpy h GLU 54 CO -0.03 1.10 0.58 0.00 -1.00 0.00 0.00 179.01 179.66 1dpy h ALA 55 N 0.48 2.26 0.00 3.43 0.00 0.40 0.15 119.26 125.97 1dpy h ALA 55 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dpy h ALA 55 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1dpy h ALA 55 CO 0.12 -0.53 0.00 0.93 0.00 0.00 0.00 179.25 179.77 1dpy h GLU 56 N 0.36 0.00 -0.05 0.00 5.08 -1.28 -2.65 114.58 116.04 1dpy h GLU 56 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1dpy h GLU 56 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1dpy h GLU 56 CO -0.15 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.49 1dpy n LYS 57 N -2.81 1.15 -3.79 2.33 4.76 0.51 -4.70 118.16 115.60 1dpy n LYS 57 Ca 0.01 -0.23 -0.36 0.00 -2.87 0.00 0.00 58.31 54.86 1dpy n LYS 57 Cb 0.29 -1.16 -0.10 0.00 -1.84 0.00 0.00 35.03 32.22 1dpy n LYS 57 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1dpy s ILE 58 N -1.93 4.97 0.00 -0.18 1.01 -1.00 -5.04 121.20 119.04 1dpy s ILE 58 Ca 0.15 0.04 -0.38 0.00 0.00 0.00 0.00 60.65 60.46 1dpy s ILE 58 Cb 0.07 -3.30 -0.17 0.00 0.01 0.00 0.00 42.46 39.07 1dpy s ILE 58 CO 0.11 0.38 1.34 -2.65 0.00 0.00 0.00 174.94 174.12 1dpy n PRO 59 N 4.19 0.87 -3.67 2.79 -0.02 -1.26 -1.72 135.00 136.18 1dpy n PRO 59 Ca -0.16 0.32 -0.21 0.00 -2.02 0.00 0.00 63.50 61.43 1dpy n PRO 59 Cb 0.52 -1.93 0.04 0.00 -0.02 0.00 0.00 33.50 32.11 1dpy n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dpy n GLY 60 N 2.56 -0.34 2.77 -1.23 0.00 -1.26 -4.96 105.19 102.73 1dpy n GLY 60 Ca 0.20 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 1dpy n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dpy s ASN 62 N 1.65 4.57 0.57 0.00 3.84 -1.26 -4.16 114.94 120.16 1dpy s ASN 62 Ca 0.03 -1.11 0.29 0.00 0.21 0.00 0.00 52.86 52.28 1dpy s ASN 62 Cb -0.17 -1.67 1.47 0.00 -0.55 0.00 0.00 41.25 40.33 1dpy s ASN 62 CO -0.16 -0.19 1.91 1.55 -2.79 0.00 0.00 177.10 177.42 1dpy h PRO 63 N 7.97 0.00 0.02 0.43 0.13 -1.90 -0.72 132.00 137.93 1dpy h PRO 63 Ca -0.26 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 1dpy h PRO 63 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1dpy h PRO 63 CO 0.54 0.00 -0.18 -0.91 -0.23 0.00 0.00 178.00 177.22 1dpy h ASN 64 N 0.00 0.12 0.52 1.44 2.35 -1.95 -2.94 115.58 115.12 1dpy h ASN 64 Ca 0.27 -0.89 -0.26 0.00 -0.55 0.00 0.00 56.30 54.87 1dpy h ASN 64 Cb 1.28 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.57 1dpy h ASN 64 CO -0.00 1.00 -1.67 2.30 -1.65 0.00 0.00 177.43 177.41 1dpy n ILE 65 N -4.54 1.48 -1.67 2.81 -5.35 -1.12 -2.15 119.36 108.83 1dpy n ILE 65 Ca -0.10 -0.77 -0.44 0.00 -0.27 0.00 0.00 62.75 61.17 1dpy n ILE 65 Cb 0.51 -0.93 -0.03 0.00 -1.74 0.00 0.00 39.64 37.45 1dpy n ILE 65 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1dpy n LYS 66 N -2.98 2.70 -3.58 6.28 0.00 -0.29 -4.67 118.16 115.61 1dpy n LYS 66 Ca -0.16 0.99 -0.37 0.00 0.00 0.00 0.00 58.31 58.77 1dpy n LYS 66 Cb 1.00 -2.91 -0.08 0.00 0.00 0.00 0.00 35.03 33.03 1dpy n LYS 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1dpy s THR 67 N 4.14 5.32 0.21 3.15 2.01 -1.26 0.44 115.64 129.65 1dpy s THR 67 Ca 0.89 0.37 0.02 0.00 0.31 0.00 0.00 61.69 63.28 1dpy s THR 67 Cb -0.50 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.45 1dpy s THR 67 CO 0.44 0.34 0.12 0.00 -0.69 0.00 0.00 174.62 174.83 1dpy n TYR 68 N 4.11 -0.85 -5.20 4.92 4.11 -1.26 -4.92 117.16 118.07 1dpy n TYR 68 Ca -0.13 -0.90 -0.32 0.00 -0.00 0.00 0.00 57.90 56.56 1dpy n TYR 68 Cb 0.52 -0.16 -0.16 0.00 -0.00 0.00 0.00 39.34 39.54 1dpy n TYR 68 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1dpy s SER 69 N -2.19 3.25 0.16 9.48 0.01 -1.26 -5.07 113.70 118.08 1dpy s SER 69 Ca 0.09 -0.44 -0.24 0.00 1.31 0.00 0.00 55.95 56.67 1dpy s SER 69 Cb -0.01 -0.73 0.06 0.00 0.21 0.00 0.00 66.02 65.55 1dpy s SER 69 CO 0.06 0.28 0.76 -0.72 0.41 0.00 0.00 173.24 174.03 1dpy s TYR 70 N -0.36 -0.32 0.06 2.43 -0.85 -1.26 -2.32 117.35 114.74 1dpy s TYR 70 Ca 0.02 0.04 0.05 0.00 -0.52 0.00 0.00 57.07 56.66 1dpy s TYR 70 Cb -0.12 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.80 1dpy s TYR 70 CO 0.02 -0.89 -0.14 -0.08 -1.52 0.00 0.00 175.55 172.95 1dpy s THR 71 N -3.57 1.06 -0.23 -3.49 -1.32 0.71 -4.91 115.64 103.88 1dpy s THR 71 Ca 0.07 -1.18 0.01 0.00 -1.21 0.00 0.00 61.69 59.38 1dpy s THR 71 Cb -0.02 -1.01 0.06 0.00 -1.51 0.00 0.00 72.50 70.01 1dpy s THR 71 CO -0.04 -0.16 -0.08 0.00 -2.21 0.00 0.00 174.62 172.13 1dpy n THR 73 N 4.61 2.80 -1.05 0.00 -1.04 0.62 -4.95 114.28 115.28 1dpy n THR 73 Ca -0.13 -5.20 -0.41 0.00 -2.04 0.00 0.00 64.05 56.27 1dpy n THR 73 Cb 0.44 -2.21 -0.06 0.00 -1.82 0.00 0.00 70.33 66.68 1dpy n THR 73 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1dpy n GLN 74 N 1.64 0.00 -0.92 -2.82 7.27 -1.26 0.31 117.38 121.60 1dpy n GLN 74 Ca 0.24 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 57.13 1dpy n GLN 74 Cb 0.37 -1.02 0.12 0.00 2.41 0.00 0.00 30.24 32.12 1dpy n GLN 74 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1dpy n PRO 75 N 1.27 1.94 -3.54 3.69 -0.04 -1.26 -5.10 135.00 131.96 1dpy n PRO 75 Ca 0.15 -2.21 -0.36 0.00 -0.04 0.00 0.00 63.50 61.04 1dpy n PRO 75 Cb 0.04 -1.86 -0.07 0.00 -0.04 0.00 0.00 33.50 31.56 1dpy n PRO 75 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1dpy s ASN 76 N -0.68 6.40 -0.07 3.54 0.01 0.15 -4.35 114.94 119.94 1dpy s ASN 76 Ca 0.42 0.46 0.01 0.00 -0.71 0.00 0.00 52.86 53.04 1dpy s ASN 76 Cb 0.35 -2.18 -0.03 0.00 0.41 0.00 0.00 41.25 39.80 1dpy s ASN 76 CO 0.07 0.08 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.90 1dpy s LEU 77 N 0.61 3.10 -0.03 0.60 1.43 -1.26 -0.28 118.68 122.85 1dpy s LEU 77 Ca 0.16 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1dpy s LEU 77 Cb -0.13 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1dpy s LEU 77 CO 0.04 0.35 0.00 -0.89 0.23 0.00 0.00 176.35 176.08 1dpy s THR 78 N -0.72 0.18 -0.41 5.49 2.01 -0.36 -4.97 115.64 116.85 1dpy s THR 78 Ca 0.11 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 62.03 1dpy s THR 78 Cb -0.11 -0.28 0.02 0.00 0.01 0.00 0.00 72.50 72.14 1dpy s THR 78 CO 0.01 0.15 0.41 0.00 -0.69 0.00 0.00 174.62 174.51 1dpy h THR 80 N 5.70 0.38 -3.75 0.00 1.35 -1.81 -3.47 112.91 111.32 1dpy h THR 80 Ca -0.27 -1.54 -0.54 0.00 -0.55 0.00 0.00 66.41 63.52 1dpy h THR 80 Cb 1.11 2.18 0.10 0.00 -1.73 0.00 0.00 68.15 69.82 1dpy h THR 80 CO 0.78 0.22 0.82 -1.81 -0.25 0.00 0.00 175.52 175.28 1dpy s ASP 81 N -6.32 6.33 0.00 5.36 1.11 -1.25 -4.89 116.67 117.02 1dpy s ASP 81 Ca 0.06 3.04 0.00 0.00 0.18 0.00 0.00 52.55 55.82 1dpy s ASP 81 Cb 0.06 -2.66 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1dpy s ASP 81 CO 0.70 -0.90 0.00 -0.24 1.18 0.00 0.00 175.17 175.91 1dpy n SER 82 N 1.00 0.47 -0.04 0.27 2.88 -1.26 -4.69 113.62 112.25 1dpy n SER 82 Ca 0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.43 1dpy n SER 82 Cb 0.38 0.01 -0.11 0.00 -0.75 0.00 0.00 64.21 63.74 1dpy n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dpy h ALA 83 N 0.00 0.02 -1.79 -1.46 0.00 -2.04 -3.43 119.26 110.57 1dpy h ALA 83 Ca 0.00 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 53.93 1dpy h ALA 83 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1dpy h ALA 83 CO 0.00 -0.02 1.08 0.34 0.00 0.00 0.00 179.25 180.65 1dpy s ASP 84 N -6.13 6.32 0.08 0.00 -1.08 -1.26 -4.92 116.67 109.69 1dpy s ASP 84 Ca -0.17 0.83 -0.18 0.00 -0.52 0.00 0.00 52.55 52.52 1dpy s ASP 84 Cb 0.00 -2.54 -0.08 0.00 -1.46 0.00 0.00 42.92 38.84 1dpy s ASP 84 CO 0.71 -1.45 1.48 0.74 0.52 0.00 0.00 175.17 177.17 1dpy h THR 85 N 6.48 1.28 0.09 1.71 2.02 -1.98 -1.13 112.91 121.39 1dpy h THR 85 Ca -0.28 -1.07 0.02 0.00 0.77 0.00 0.00 66.41 65.85 1dpy h THR 85 Cb 1.11 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 1dpy h THR 85 CO 1.09 0.34 -0.20 0.00 0.37 0.00 0.00 175.52 177.11 1dpy h ALA 87 N 0.45 1.13 0.83 0.00 0.00 -1.91 0.36 119.26 120.13 1dpy h ALA 87 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1dpy h ALA 87 Cb 0.41 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1dpy h ALA 87 CO -0.13 0.51 -0.40 0.37 0.00 0.00 0.00 179.25 179.60 1dpy h GLN 88 N 1.19 -1.08 -0.64 0.00 4.15 -0.80 0.15 115.11 118.07 1dpy h GLN 88 Ca 0.33 0.07 0.06 0.00 0.77 0.00 0.00 58.65 59.89 1dpy h GLN 88 Cb -0.12 0.25 -0.06 0.00 0.21 0.00 0.00 27.48 27.76 1dpy h GLN 88 CO -0.08 -0.72 0.34 0.35 -1.93 0.00 0.00 178.83 176.79 1dpy h PHE 89 N -1.16 0.62 -0.56 3.99 3.57 -0.50 -0.85 116.94 122.04 1dpy h PHE 89 Ca -0.11 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 1dpy h PHE 89 Cb 0.86 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1dpy h PHE 89 CO 0.03 0.28 0.09 1.25 -2.23 0.00 0.00 178.31 177.73 1dpy h LEU 90 N 0.62 0.90 -0.68 0.59 5.85 -0.25 -1.85 115.31 120.49 1dpy h LEU 90 Ca 0.29 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1dpy h LEU 90 Cb 0.22 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1dpy h LEU 90 CO -0.20 0.93 0.13 0.00 -0.34 0.00 0.00 178.44 178.96 1dpy h GLU 92 N 1.03 0.78 0.30 0.00 4.22 -0.83 0.70 114.58 120.79 1dpy h GLU 92 Ca 0.21 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.61 1dpy h GLU 92 Cb 0.41 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1dpy h GLU 92 CO 0.01 0.51 -0.39 0.00 -2.18 0.00 0.00 179.01 176.96 1dpy h ASP 94 N -0.74 0.49 -0.62 0.00 3.32 -1.21 -2.00 116.42 115.66 1dpy h ASP 94 Ca -0.01 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1dpy h ASP 94 Cb 0.69 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1dpy h ASP 94 CO -0.12 0.42 0.41 -0.09 -1.72 0.00 0.00 179.24 178.14 1dpy h ARG 95 N 0.52 0.82 -0.49 3.56 2.43 -0.78 0.74 114.38 121.18 1dpy h ARG 95 Ca 0.14 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1dpy h ARG 95 Cb 0.03 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1dpy h ARG 95 CO -0.02 0.55 0.32 1.15 -1.51 0.00 0.00 179.97 180.45 1dpy h THR 96 N 0.84 1.12 -0.31 0.20 2.02 -0.97 -1.44 112.91 114.37 1dpy h THR 96 Ca 0.23 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1dpy h THR 96 Cb -0.09 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1dpy h THR 96 CO -0.05 0.12 -0.01 0.00 0.37 0.00 0.00 175.52 175.95 1dpy h ALA 97 N 1.19 0.42 -0.24 6.16 0.00 -0.94 -0.15 119.26 125.69 1dpy h ALA 97 Ca 0.18 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1dpy h ALA 97 Cb -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1dpy h ALA 97 CO -0.05 0.19 0.06 0.00 0.00 0.00 0.00 179.25 179.44 1dpy h ALA 98 N 0.84 0.25 -0.66 0.00 0.00 -0.61 0.28 119.26 119.37 1dpy h ALA 98 Ca 0.09 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1dpy h ALA 98 Cb 0.46 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1dpy h ALA 98 CO 0.02 -0.36 0.14 0.82 0.00 0.00 0.00 179.25 179.86 1dpy h ILE 99 N 0.15 1.26 0.17 0.00 2.04 -1.25 -2.64 117.51 117.25 1dpy h ILE 99 Ca 0.11 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 1dpy h ILE 99 Cb 0.10 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1dpy h ILE 99 CO -0.14 0.37 -0.13 0.00 0.00 0.00 0.00 178.15 178.25 1dpy h PHE 101 N -0.31 0.20 0.00 0.00 0.04 -0.33 -1.18 116.94 115.36 1dpy h PHE 101 Ca -0.01 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 1dpy h PHE 101 Cb 0.28 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1dpy h PHE 101 CO -0.10 -0.04 -0.27 0.00 -0.60 0.00 0.00 178.31 177.29 1dpy h ALA 102 N 1.49 1.25 0.00 2.45 0.00 -1.29 -3.09 119.26 120.07 1dpy h ALA 102 Ca 0.32 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1dpy h ALA 102 Cb 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1dpy h ALA 102 CO -0.42 0.34 -1.28 0.77 0.00 0.00 0.00 179.25 178.67 1dpy h SER 103 N 0.00 0.00 -4.12 0.00 0.02 -0.89 -3.48 113.55 105.08 1dpy h SER 103 Ca -0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1dpy h SER 103 Cb 0.60 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.18 1dpy h SER 103 CO 0.04 0.43 0.32 0.00 -1.14 0.00 0.00 176.83 176.48 1dpy s ALA 104 N -3.03 3.18 0.68 3.77 0.00 -0.52 -5.07 121.76 120.77 1dpy s ALA 104 Ca -0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 1dpy s ALA 104 Cb 0.09 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1dpy s ALA 104 CO 0.80 -0.51 1.07 -1.25 0.00 0.00 0.00 175.76 175.87 1dpy s PRO 105 N -4.85 3.01 -0.40 0.00 0.04 -1.26 -4.96 135.00 126.58 1dpy s PRO 105 Ca 0.54 0.48 0.03 0.00 0.04 0.00 0.00 61.00 62.08 1dpy s PRO 105 Cb -0.11 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.49 1dpy s PRO 105 CO 0.47 -0.92 0.14 -0.47 0.04 0.00 0.00 177.00 176.27 1dpy s TYR 106 N -3.29 3.08 -0.80 0.56 6.14 -1.26 -4.50 117.35 117.28 1dpy s TYR 106 Ca 0.57 -2.81 -0.22 0.00 0.64 0.00 0.00 57.07 55.26 1dpy s TYR 106 Cb -0.11 -2.60 0.08 0.00 0.42 0.00 0.00 41.96 39.76 1dpy s TYR 106 CO 0.52 -0.86 1.11 -0.80 0.64 0.00 0.00 175.55 176.16 1dpy s ASN 107 N 0.58 6.36 0.00 4.32 0.01 -1.26 -4.84 114.94 120.11 1dpy s ASN 107 Ca 0.13 -1.33 0.00 0.00 -0.71 0.00 0.00 52.86 50.96 1dpy s ASN 107 Cb -0.22 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1dpy s ASN 107 CO -0.07 -1.37 0.81 -1.54 -1.51 0.00 0.00 177.10 173.41 1dpy n SER 108 N 7.67 0.00 0.03 -1.22 3.41 -1.26 0.29 113.62 122.54 1dpy n SER 108 Ca 0.10 0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.88 1dpy n SER 108 Cb 0.48 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 1dpy n SER 108 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1dpy h ASN 109 N 0.00 0.71 -0.01 4.04 2.35 -2.02 -2.99 115.58 117.66 1dpy h ASN 109 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1dpy h ASN 109 Cb 0.36 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1dpy h ASN 109 CO 0.00 1.28 0.00 0.59 -1.65 0.00 0.00 177.43 177.65 1dpy n ASN 110 N -3.86 0.64 -4.76 5.81 3.02 0.15 -4.81 115.26 111.45 1dpy n ASN 110 Ca -0.07 -2.01 -0.40 0.00 -0.03 0.00 0.00 54.58 52.08 1dpy n ASN 110 Cb 0.77 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 1dpy n ASN 110 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dpy s ILE 111 N -1.43 4.59 -0.19 2.41 1.01 -1.13 -0.40 121.20 126.05 1dpy s ILE 111 Ca 0.01 1.61 -0.17 0.00 0.00 0.00 0.00 60.65 62.09 1dpy s ILE 111 Cb 0.01 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.40 1dpy s ILE 111 CO 0.00 0.45 0.29 0.80 0.00 0.00 0.00 174.94 176.48 1dpy n MET 112 N 2.19 -0.94 -3.39 2.79 1.56 -1.19 -4.91 117.12 113.24 1dpy n MET 112 Ca -0.05 0.95 -0.24 0.00 -0.27 0.00 0.00 57.70 58.09 1dpy n MET 112 Cb 0.50 -1.29 -0.10 0.00 2.15 0.00 0.00 33.22 34.48 1dpy n MET 112 CO 0.00 0.00 0.00 -0.48 -0.73 0.00 0.00 175.97 174.76 1dpy s LEU 113 N -1.50 0.63 -0.06 -0.89 2.34 -1.26 -5.01 118.68 112.93 1dpy s LEU 113 Ca 0.17 -2.14 -0.02 0.00 0.06 0.00 0.00 54.13 52.20 1dpy s LEU 113 Cb -0.02 -0.01 -0.04 0.00 -0.56 0.00 0.00 46.19 45.57 1dpy s LEU 113 CO 0.38 -0.26 0.04 -0.44 -1.06 0.00 0.00 176.35 175.01 1dpy s SER 115 N 0.99 5.50 1.02 1.48 0.01 -1.26 -4.78 113.70 116.67 1dpy s SER 115 Ca 0.21 0.17 -0.16 0.00 1.31 0.00 0.00 55.95 57.48 1dpy s SER 115 Cb -0.15 -1.58 0.21 0.00 0.21 0.00 0.00 66.02 64.71 1dpy s SER 115 CO -0.04 0.34 1.24 -0.94 0.41 0.00 0.00 173.24 174.25 1dpy s SER 116 N -1.22 2.58 0.55 2.44 1.04 -1.26 -4.91 113.70 112.93 1dpy s SER 116 Ca 0.17 0.46 0.23 0.00 0.48 0.00 0.00 55.95 57.29 1dpy s SER 116 Cb -0.12 -0.63 1.53 0.00 0.10 0.00 0.00 66.02 66.90 1dpy s SER 116 CO 0.07 -3.08 2.17 0.74 0.98 0.00 0.00 173.24 174.12 1dpy h THR 117 N -1.88 0.75 -0.70 2.02 2.02 -2.03 -2.66 112.91 110.43 1dpy h THR 117 Ca -0.45 0.00 0.13 0.00 0.77 0.00 0.00 66.41 66.86 1dpy h THR 117 Cb 1.27 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 68.59 1dpy h THR 117 CO 0.40 0.00 0.47 0.28 0.37 0.00 0.00 175.52 177.04 1dpy h SER 118 N 0.00 0.40 -2.23 4.18 0.02 -1.93 -3.03 113.55 110.96 1dpy h SER 118 Ca 0.03 0.02 -0.81 0.00 -0.84 0.00 0.00 61.79 60.19 1dpy h SER 118 Cb 0.12 -0.06 -0.26 0.00 0.14 0.00 0.00 62.40 62.33 1dpy h SER 118 CO -0.00 0.22 1.08 0.00 -1.14 0.00 0.00 176.83 176.99