#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umo s LEU 19 N 0.00 3.15 0.66 4.31 0.20 -1.26 -5.10 118.68 120.64 1umo s LEU 19 Ca 0.00 -0.07 -0.10 0.00 0.69 0.00 0.00 54.13 54.65 1umo s LEU 19 Cb 0.00 -1.71 -0.00 0.00 -0.43 0.00 0.00 46.19 44.05 1umo s LEU 19 CO 0.00 0.30 1.03 -0.94 -0.29 0.00 0.00 176.35 176.46 1umo s SER 20 N -0.44 5.70 0.03 3.68 1.04 -1.26 -4.91 113.70 117.54 1umo s SER 20 Ca 0.06 1.12 -0.24 0.00 0.48 0.00 0.00 55.95 57.38 1umo s SER 20 Cb -0.12 -2.04 -0.17 0.00 0.10 0.00 0.00 66.02 63.79 1umo s SER 20 CO 0.02 -1.15 1.48 -0.08 0.98 0.00 0.00 173.24 174.49 1umo h GLU 21 N -0.46 0.03 -0.98 4.02 4.57 -1.99 -1.13 114.58 118.65 1umo h GLU 21 Ca -0.45 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 57.87 1umo h GLU 21 Cb 1.24 -0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.73 1umo h GLU 21 CO 0.63 0.30 0.62 0.00 -1.18 0.00 0.00 179.01 179.37 1umo h ALA 22 N 0.73 1.65 -0.05 2.92 0.00 -1.99 -1.78 119.26 120.74 1umo h ALA 22 Ca 0.01 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1umo h ALA 22 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1umo h ALA 22 CO 0.00 0.06 -0.47 0.93 0.00 0.00 0.00 179.25 179.77 1umo h GLU 23 N 0.85 0.13 -0.09 0.00 5.08 -1.82 -1.53 114.58 117.19 1umo h GLU 23 Ca 0.51 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.64 1umo h GLU 23 Cb 0.69 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1umo h GLU 23 CO -0.29 0.58 -0.61 0.00 -1.00 0.00 0.00 179.01 177.69 1umo h ARG 24 N 0.10 0.57 -0.56 2.33 3.08 -0.40 -2.26 114.38 117.25 1umo h ARG 24 Ca 0.00 -0.49 -0.05 0.00 0.07 0.00 0.00 59.98 59.51 1umo h ARG 24 Cb 0.88 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 1umo h ARG 24 CO 0.07 1.12 0.13 0.87 -1.07 0.00 0.00 179.97 181.08 1umo h LYS 25 N 0.19 0.87 -0.36 0.04 1.57 -1.31 -0.93 116.57 116.64 1umo h LYS 25 Ca -0.05 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1umo h LYS 25 Cb 1.26 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1umo h LYS 25 CO 0.12 0.78 0.21 0.00 -0.57 0.00 0.00 179.45 180.00 1umo h ALA 26 N 1.31 0.45 -0.42 3.86 0.00 -1.12 -0.85 119.26 122.50 1umo h ALA 26 Ca 0.18 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1umo h ALA 26 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1umo h ALA 26 CO 0.00 -0.05 -0.14 0.28 0.00 0.00 0.00 179.25 179.34 1umo h VAL 27 N 0.46 1.26 -0.19 0.00 2.07 -1.18 -2.56 116.25 116.11 1umo h VAL 27 Ca 0.13 -1.21 -0.15 0.00 0.82 0.00 0.00 66.70 66.28 1umo h VAL 27 Cb 0.01 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1umo h VAL 27 CO -0.02 0.41 -0.51 1.56 0.02 0.00 0.00 177.57 179.03 1umo h GLN 28 N 0.69 0.54 -0.01 1.57 4.20 -1.02 -0.79 115.11 120.29 1umo h GLN 28 Ca 0.11 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 1umo h GLN 28 Cb 0.63 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 1umo h GLN 28 CO 0.04 0.92 0.00 0.00 -0.67 0.00 0.00 178.83 179.13 1umo h ALA 29 N 1.02 0.01 -0.07 3.87 0.00 -1.07 -2.30 119.26 120.72 1umo h ALA 29 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1umo h ALA 29 Cb 1.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1umo h ALA 29 CO 0.10 -0.36 0.01 0.52 0.00 0.00 0.00 179.25 179.51 1umo h MET 30 N -0.22 0.12 -1.00 0.00 2.86 -1.42 -3.03 114.93 112.24 1umo h MET 30 Ca 0.00 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.71 1umo h MET 30 Cb 0.25 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.81 1umo h MET 30 CO 0.00 0.37 0.64 2.35 1.06 0.00 0.00 176.91 181.32 1umo h TRP 31 N -0.14 1.16 -0.44 -0.22 2.91 -1.22 -2.50 115.95 115.51 1umo h TRP 31 Ca 0.02 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.98 1umo h TRP 31 Cb 0.31 -0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 28.57 1umo h TRP 31 CO 0.02 0.49 -0.10 0.00 -1.03 0.00 0.00 178.44 177.83 1umo h ALA 32 N 1.52 0.60 -0.75 2.65 0.00 -1.29 0.19 119.26 122.18 1umo h ALA 32 Ca 0.48 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1umo h ALA 32 Cb 0.41 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1umo h ALA 32 CO -0.24 0.48 0.49 -0.09 0.00 0.00 0.00 179.25 179.89 1umo h ARG 33 N 0.67 0.80 -0.02 0.00 9.65 -1.43 -2.70 114.38 121.36 1umo h ARG 33 Ca 0.11 -0.05 -0.19 0.00 -1.10 0.00 0.00 59.98 58.76 1umo h ARG 33 Cb 0.63 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1umo h ARG 33 CO 0.04 0.53 -0.80 1.25 2.80 0.00 0.00 179.97 183.79 1umo h LEU 34 N 0.83 0.29 -0.15 3.80 5.85 -0.91 -3.34 115.31 121.69 1umo h LEU 34 Ca 0.32 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1umo h LEU 34 Cb 0.20 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1umo h LEU 34 CO -0.11 0.98 -0.35 0.22 -0.34 0.00 0.00 178.44 178.84 1umo h TYR 35 N 0.15 0.00 -0.21 1.25 3.20 -0.32 -2.45 116.97 118.59 1umo h TYR 35 Ca -0.04 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.89 1umo h TYR 35 Cb 1.40 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1umo h TYR 35 CO 0.03 0.35 0.23 0.00 -1.64 0.00 0.00 178.16 177.13 1umo h ALA 36 N 1.65 1.84 -1.29 1.82 0.00 -1.64 -2.67 119.26 118.98 1umo h ALA 36 Ca -0.00 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 1umo h ALA 36 Cb 1.22 0.02 -0.41 0.00 0.00 0.00 0.00 17.79 18.61 1umo h ALA 36 CO 0.05 -0.34 -0.93 0.09 0.00 0.00 0.00 179.25 178.11 1umo n ASN 37 N -3.80 3.29 0.15 0.00 3.02 -0.93 -4.92 115.26 112.07 1umo n ASN 37 Ca 0.02 -3.28 0.13 0.00 -0.03 0.00 0.00 54.58 51.43 1umo n ASN 37 Cb 0.36 -0.49 0.40 0.00 -0.61 0.00 0.00 39.78 39.44 1umo n ASN 37 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1umo h SER 38 N 2.76 0.00 0.31 6.41 4.64 -1.32 -2.62 113.55 123.72 1umo h SER 38 Ca 0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1umo h SER 38 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1umo h SER 38 CO 0.70 0.00 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.18 1umo h GLU 39 N 0.00 -0.40 0.00 4.77 3.07 -1.88 -1.91 114.58 118.24 1umo h GLU 39 Ca 0.00 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 1umo h GLU 39 Cb 0.69 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1umo h GLU 39 CO 0.00 -0.09 -0.17 -0.44 -1.40 0.00 0.00 179.01 176.90 1umo h ASP 40 N -0.99 0.00 0.02 1.42 3.45 -1.96 -2.55 116.42 115.81 1umo h ASP 40 Ca -0.04 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.39 1umo h ASP 40 Cb 0.48 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1umo h ASP 40 CO 0.07 0.17 -0.14 0.58 -1.57 0.00 0.00 179.24 178.35 1umo h VAL 41 N 0.00 1.75 -0.87 -1.35 2.07 -1.50 -1.34 116.25 115.00 1umo h VAL 41 Ca -0.00 -2.37 0.17 0.00 0.82 0.00 0.00 66.70 65.32 1umo h VAL 41 Cb 0.59 3.35 -0.07 0.00 -1.52 0.00 0.00 31.29 33.65 1umo h VAL 41 CO 0.02 0.63 0.57 1.23 0.02 0.00 0.00 177.57 180.04 1umo h GLY 42 N -0.88 0.99 1.30 2.17 0.00 -1.30 -0.99 103.07 104.36 1umo h GLY 42 Ca -0.02 -0.23 -0.30 0.00 0.00 0.00 0.00 47.33 46.77 1umo h GLY 42 CO 0.03 0.04 -1.48 -2.08 0.00 0.00 0.00 176.54 173.04 1umo h VAL 43 N 0.52 1.22 -0.65 4.60 2.07 -1.48 -2.09 116.25 120.44 1umo h VAL 43 Ca 0.44 -2.83 0.06 0.00 0.82 0.00 0.00 66.70 65.19 1umo h VAL 43 Cb 0.93 2.81 -0.05 0.00 -1.52 0.00 0.00 31.29 33.46 1umo h VAL 43 CO -0.18 0.83 0.35 0.00 0.02 0.00 0.00 177.57 178.59 1umo h ALA 44 N 0.48 0.86 -0.17 1.67 0.00 -0.81 -1.26 119.26 120.03 1umo h ALA 44 Ca -0.23 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1umo h ALA 44 Cb 2.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1umo h ALA 44 CO 0.18 0.02 -0.16 0.82 0.00 0.00 0.00 179.25 180.11 1umo h ILE 45 N 0.65 1.33 -0.30 0.00 2.04 -1.15 -2.38 117.51 117.71 1umo h ILE 45 Ca 0.29 -1.30 -0.11 0.00 1.00 0.00 0.00 64.86 64.73 1umo h ILE 45 Cb 0.19 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1umo h ILE 45 CO -0.18 0.39 -0.26 -0.07 0.00 0.00 0.00 178.15 178.02 1umo h LEU 46 N 0.06 0.75 -0.89 1.44 4.07 -1.26 -0.97 115.31 118.50 1umo h LEU 46 Ca 0.03 -0.46 0.03 0.00 0.08 0.00 0.00 57.88 57.56 1umo h LEU 46 Cb 0.68 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 42.17 1umo h LEU 46 CO 0.04 1.05 0.58 0.58 -1.08 0.00 0.00 178.44 179.61 1umo h VAL 47 N 0.45 1.17 -0.39 1.22 2.07 -1.28 -0.22 116.25 119.27 1umo h VAL 47 Ca 0.05 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 1umo h VAL 47 Cb 0.82 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1umo h VAL 47 CO 0.07 0.21 -0.06 -0.09 0.02 0.00 0.00 177.57 177.72 1umo h ARG 48 N 1.14 0.73 -0.49 1.57 9.65 -1.38 0.05 114.38 125.65 1umo h ARG 48 Ca 0.35 -0.26 0.09 0.00 -1.10 0.00 0.00 59.98 59.05 1umo h ARG 48 Cb -0.03 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.43 1umo h ARG 48 CO -0.11 0.85 0.07 0.35 2.80 0.00 0.00 179.97 183.93 1umo h PHE 49 N 0.54 0.10 0.05 2.20 3.57 -0.77 -0.64 116.94 121.98 1umo h PHE 49 Ca 0.10 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.36 1umo h PHE 49 Cb 0.56 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1umo h PHE 49 CO 0.05 -0.04 -1.44 0.74 -2.23 0.00 0.00 178.31 175.39 1umo h PHE 50 N 0.19 0.18 -0.09 0.41 0.04 -0.83 0.09 116.94 116.93 1umo h PHE 50 Ca 0.24 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1umo h PHE 50 Cb 0.34 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 1umo h PHE 50 CO -0.25 1.16 0.01 0.28 -0.60 0.00 0.00 178.31 178.91 1umo h VAL 51 N 0.03 1.24 0.00 -0.55 2.07 -0.98 -2.82 116.25 115.24 1umo h VAL 51 Ca -0.19 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1umo h VAL 51 Cb 1.94 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1umo h VAL 51 CO 0.13 0.21 -0.09 0.78 0.02 0.00 0.00 177.57 178.62 1umo h ASN 52 N -0.10 0.00 -2.14 0.57 2.35 -1.09 -3.34 115.58 111.83 1umo h ASN 52 Ca 0.03 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.20 1umo h ASN 52 Cb 0.33 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.30 1umo h ASN 52 CO 0.00 0.09 -0.97 0.49 -1.65 0.00 0.00 177.43 175.39 1umo n PHE 53 N -3.16 0.40 -0.04 1.19 3.72 0.02 -4.99 117.46 114.60 1umo n PHE 53 Ca 0.02 -3.66 0.24 0.00 -0.05 0.00 0.00 57.45 54.00 1umo n PHE 53 Cb 0.45 -0.30 0.72 0.00 -0.94 0.00 0.00 39.48 39.42 1umo n PHE 53 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1umo h PRO 54 N 4.36 0.00 0.00 -1.08 0.13 -1.63 -0.45 132.00 133.33 1umo h PRO 54 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 1umo h PRO 54 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1umo h PRO 54 CO 0.52 0.00 -0.15 0.66 -0.23 0.00 0.00 178.00 178.80 1umo h SER 55 N 0.00 0.00 0.33 1.44 4.64 -1.94 -2.35 113.55 115.67 1umo h SER 55 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1umo h SER 55 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1umo h SER 55 CO -0.00 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 1umo h ALA 56 N 1.85 1.00 0.00 5.18 0.00 -1.43 -2.35 119.26 123.51 1umo h ALA 56 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1umo h ALA 56 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1umo h ALA 56 CO 0.02 0.00 -0.05 0.87 0.00 0.00 0.00 179.25 180.09 1umo h LYS 57 N 0.00 0.00 -1.07 0.00 1.57 -1.58 -3.31 116.57 112.17 1umo h LYS 57 Ca 0.00 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.08 1umo h LYS 57 Cb 0.16 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.36 1umo h LYS 57 CO 0.00 0.05 0.67 -0.56 -0.57 0.00 0.00 179.45 179.04 1umo h GLN 58 N 0.00 0.35 0.00 3.15 3.07 -1.60 -1.25 115.11 118.83 1umo h GLN 58 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1umo h GLN 58 Cb 0.72 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.20 1umo h GLN 58 CO 0.01 0.23 0.00 1.88 0.09 0.00 0.00 178.83 181.04 1umo h TYR 59 N 0.36 0.00 -3.56 0.06 0.05 -1.81 -3.41 116.97 108.66 1umo h TYR 59 Ca 0.67 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.77 1umo h TYR 59 Cb 1.67 0.00 -0.36 0.00 1.01 0.00 0.00 36.73 39.04 1umo h TYR 59 CO -0.01 0.00 -0.61 -0.06 -1.05 0.00 0.00 178.16 176.44 1umo s PHE 60 N -3.34 3.64 -0.91 4.88 0.08 -0.47 -4.99 117.98 116.86 1umo s PHE 60 Ca 0.05 -2.59 0.15 0.00 0.12 0.00 0.00 56.93 54.65 1umo s PHE 60 Cb 0.10 -3.09 0.63 0.00 -0.57 0.00 0.00 43.02 40.08 1umo s PHE 60 CO 0.46 -0.96 1.46 -1.13 -0.10 0.00 0.00 175.22 174.95 1umo n SER 61 N 4.48 0.10 -0.12 1.36 3.41 -1.26 -3.97 113.62 117.62 1umo n SER 61 Ca -0.01 0.53 -0.25 0.00 -0.26 0.00 0.00 58.87 58.89 1umo n SER 61 Cb 0.42 -0.55 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 1umo n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1umo n GLN 62 N -1.62 0.62 -1.49 4.33 1.13 -1.26 -4.81 117.38 114.28 1umo n GLN 62 Ca 0.03 0.25 -0.14 0.00 -1.94 0.00 0.00 57.00 55.20 1umo n GLN 62 Cb 0.16 -1.54 0.08 0.00 0.11 0.00 0.00 30.24 29.06 1umo n GLN 62 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1umo n PHE 63 N -3.88 -3.43 0.00 1.08 -1.74 -1.25 -4.73 117.46 103.50 1umo n PHE 63 Ca -0.48 -0.88 0.00 0.00 -0.56 0.00 0.00 57.45 55.53 1umo n PHE 63 Cb 0.92 -0.47 0.00 0.00 1.52 0.00 0.00 39.48 41.45 1umo n PHE 63 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 1umo n LYS 64 N -2.23 0.00 0.00 3.97 4.81 -1.26 -4.77 118.16 118.68 1umo n LYS 64 Ca 0.09 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.69 1umo n LYS 64 Cb 0.33 0.00 0.81 0.00 0.02 0.00 0.00 35.03 36.19 1umo n LYS 64 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1umo n HIS 65 N 0.00 0.00 -3.07 5.64 1.44 -1.26 -4.90 115.22 113.07 1umo n HIS 65 Ca 0.00 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.33 1umo n HIS 65 Cb 0.00 -0.15 -0.06 0.00 0.12 0.00 0.00 29.99 29.90 1umo n HIS 65 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 1umo s MET 66 N -2.32 4.42 0.00 -1.40 -1.94 -1.26 -4.98 119.30 111.82 1umo s MET 66 Ca 0.36 1.01 0.00 0.00 -1.71 0.00 0.00 55.69 55.35 1umo s MET 66 Cb 0.21 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.89 1umo s MET 66 CO 0.42 0.54 0.00 0.39 -0.01 0.00 0.00 175.02 176.36 1umo n GLU 67 N 1.40 2.11 -2.97 2.03 -0.58 -1.26 -5.04 120.64 116.33 1umo n GLU 67 Ca -0.06 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.27 1umo n GLU 67 Cb 0.50 -0.88 -0.05 0.00 -0.57 0.00 0.00 31.44 30.44 1umo n GLU 67 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1umo s ASP 68 N -1.93 6.87 0.47 1.62 3.68 -1.26 -4.95 116.67 121.17 1umo s ASP 68 Ca 0.00 1.07 0.17 0.00 2.13 0.00 0.00 52.55 55.91 1umo s ASP 68 Cb 0.00 -2.42 1.15 0.00 -1.45 0.00 0.00 42.92 40.20 1umo s ASP 68 CO 0.00 -0.34 2.02 -0.65 0.13 0.00 0.00 175.17 176.32 1umo h PRO 69 N 7.34 0.24 -0.14 4.34 0.11 -1.96 -1.14 132.00 140.80 1umo h PRO 69 Ca -0.31 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.70 1umo h PRO 69 Cb 1.14 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1umo h PRO 69 CO 0.81 0.16 -0.32 -0.07 -0.21 0.00 0.00 178.00 178.37 1umo h LEU 70 N 0.25 0.28 0.02 2.35 3.38 -2.00 -2.37 115.31 117.22 1umo h LEU 70 Ca 0.22 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1umo h LEU 70 Cb 0.54 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.23 1umo h LEU 70 CO -0.04 0.59 -0.83 -0.08 0.09 0.00 0.00 178.44 178.17 1umo h GLU 71 N 0.24 0.53 -0.79 1.13 4.57 -1.85 -3.32 114.58 115.09 1umo h GLU 71 Ca 0.03 -0.60 0.03 0.00 -1.18 0.00 0.00 59.36 57.64 1umo h GLU 71 Cb 0.69 0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.41 1umo h GLU 71 CO 0.05 1.22 0.52 0.52 -1.18 0.00 0.00 179.01 180.14 1umo h MET 72 N 0.10 0.97 0.00 1.92 2.86 -1.05 -2.46 114.93 117.27 1umo h MET 72 Ca -0.11 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1umo h MET 72 Cb 1.52 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1umo h MET 72 CO 0.16 0.64 0.00 -0.85 1.06 0.00 0.00 176.91 177.93 1umo n GLU 73 N -4.44 0.39 -0.00 1.72 0.28 -0.91 -2.40 120.64 115.28 1umo n GLU 73 Ca 0.10 0.07 0.08 0.00 -0.16 0.00 0.00 57.16 57.25 1umo n GLU 73 Cb 0.09 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.36 1umo n GLU 73 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1umo n ARG 74 N -1.21 1.30 -2.08 3.44 5.12 -0.93 -4.94 116.66 117.37 1umo n ARG 74 Ca 0.11 -0.04 -0.42 0.00 -1.93 0.00 0.00 57.85 55.57 1umo n ARG 74 Cb 0.14 -1.31 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 1umo n ARG 74 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1umo s SER 75 N -2.88 6.72 0.29 0.55 0.15 -1.01 -4.92 113.70 112.60 1umo s SER 75 Ca 0.03 2.17 0.04 0.00 0.70 0.00 0.00 55.95 58.90 1umo s SER 75 Cb 0.12 -2.54 0.44 0.00 -1.71 0.00 0.00 66.02 62.34 1umo s SER 75 CO 0.69 -0.88 1.72 -0.65 1.20 0.00 0.00 173.24 175.32 1umo h PRO 76 N 9.10 0.38 -0.31 5.44 0.11 -1.93 -0.57 132.00 144.21 1umo h PRO 76 Ca -0.38 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1umo h PRO 76 Cb 1.17 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1umo h PRO 76 CO 0.95 0.65 0.14 0.37 -0.21 0.00 0.00 178.00 179.91 1umo h GLN 77 N 0.33 0.45 -0.50 1.05 4.15 -1.97 0.69 115.11 119.31 1umo h GLN 77 Ca 0.04 -0.07 0.06 0.00 0.77 0.00 0.00 58.65 59.46 1umo h GLN 77 Cb 0.72 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.27 1umo h GLN 77 CO 0.05 0.43 0.18 1.25 -1.93 0.00 0.00 178.83 178.82 1umo h LEU 78 N 0.36 0.20 0.00 -2.39 6.46 -1.64 -2.52 115.31 115.79 1umo h LEU 78 Ca 0.11 0.06 -0.18 0.00 -0.12 0.00 0.00 57.88 57.74 1umo h LEU 78 Cb 0.13 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1umo h LEU 78 CO -0.01 0.14 -1.22 0.08 -0.62 0.00 0.00 178.44 176.81 1umo h ARG 79 N 0.37 0.00 -0.51 1.25 0.11 -0.85 -1.59 114.38 113.15 1umo h ARG 79 Ca 0.24 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.40 1umo h ARG 79 Cb 0.24 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.25 1umo h ARG 79 CO -0.23 0.47 0.14 -0.22 0.10 0.00 0.00 179.97 180.23 1umo h LYS 80 N 0.00 0.29 0.00 0.08 3.64 -0.92 -2.87 116.57 116.79 1umo h LYS 80 Ca -0.13 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 1umo h LYS 80 Cb 1.65 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 1umo h LYS 80 CO 0.07 0.19 -0.25 1.25 -2.27 0.00 0.00 179.45 178.44 1umo h HIS 81 N 0.30 0.00 -0.44 1.91 2.76 -1.14 -1.78 115.15 116.75 1umo h HIS 81 Ca 0.25 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.32 1umo h HIS 81 Cb 0.32 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1umo h HIS 81 CO -0.20 0.25 -0.12 0.00 -1.30 0.00 0.00 177.93 176.56 1umo h ALA 82 N 1.75 0.61 -0.40 5.26 0.00 -1.11 -1.95 119.26 123.43 1umo h ALA 82 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1umo h ALA 82 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1umo h ALA 82 CO 0.03 0.51 -0.12 0.77 0.00 0.00 0.00 179.25 180.45 1umo h SER 83 N 0.70 0.79 -0.35 0.00 0.02 -1.26 0.42 113.55 113.87 1umo h SER 83 Ca 0.11 -0.37 0.05 0.00 -0.84 0.00 0.00 61.79 60.74 1umo h SER 83 Cb 0.67 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 1umo h SER 83 CO 0.05 0.98 0.07 0.03 -1.14 0.00 0.00 176.83 176.82 1umo h ARG 84 N 0.59 0.19 -0.17 3.45 -0.00 -1.29 0.44 114.38 117.59 1umo h ARG 84 Ca 0.10 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.55 1umo h ARG 84 Cb 0.65 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.57 1umo h ARG 84 CO 0.04 0.12 0.05 0.28 0.00 0.00 0.00 179.97 180.47 1umo h VAL 85 N 0.19 1.18 -0.02 2.04 2.07 -1.09 -1.74 116.25 118.88 1umo h VAL 85 Ca 0.16 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1umo h VAL 85 Cb 0.18 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1umo h VAL 85 CO -0.21 0.17 -0.13 0.24 0.02 0.00 0.00 177.57 177.66 1umo h MET 86 N 0.10 0.03 0.08 1.57 2.86 -0.71 -2.32 114.93 116.54 1umo h MET 86 Ca 0.05 -0.01 -0.27 0.00 -2.06 0.00 0.00 59.70 57.42 1umo h MET 86 Cb 0.22 -0.01 0.03 0.00 0.06 0.00 0.00 31.60 31.90 1umo h MET 86 CO -0.00 0.17 -1.09 0.78 1.06 0.00 0.00 176.91 177.83 1umo h GLY 87 N 0.46 0.67 0.73 8.32 0.00 -0.60 -1.46 103.07 111.20 1umo h GLY 87 Ca 0.01 -1.33 -0.05 0.00 0.00 0.00 0.00 47.33 45.96 1umo h GLY 87 CO 0.02 1.17 -0.10 0.00 0.00 0.00 0.00 176.54 177.63 1umo h ALA 88 N 0.30 0.20 0.00 3.60 0.00 -1.24 -2.66 119.26 119.45 1umo h ALA 88 Ca -0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1umo h ALA 88 Cb 1.77 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1umo h ALA 88 CO 0.21 0.03 -0.15 -0.07 0.00 0.00 0.00 179.25 179.27 1umo h LEU 89 N -0.05 0.00 -0.35 0.00 4.07 -1.50 -1.99 115.31 115.49 1umo h LEU 89 Ca 0.03 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.90 1umo h LEU 89 Cb 0.60 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1umo h LEU 89 CO 0.03 0.15 -0.39 -1.13 -1.08 0.00 0.00 178.44 176.02 1umo h ASN 90 N 0.00 0.00 0.49 -0.43 -1.24 -1.12 -2.55 115.58 110.73 1umo h ASN 90 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1umo h ASN 90 Cb 0.31 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1umo h ASN 90 CO 0.02 0.39 -0.57 0.35 -1.29 0.00 0.00 177.43 176.33 1umo n THR 91 N -3.29 0.03 0.07 -3.57 -2.24 -0.82 -2.34 114.28 102.13 1umo n THR 91 Ca 0.01 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.57 1umo n THR 91 Cb 0.63 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 69.03 1umo n THR 91 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1umo h VAL 92 N 0.00 1.32 0.06 2.28 2.07 -1.34 -3.24 116.25 117.40 1umo h VAL 92 Ca 0.00 -2.44 -0.25 0.00 0.82 0.00 0.00 66.70 64.83 1umo h VAL 92 Cb 0.53 2.55 0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1umo h VAL 92 CO 0.00 0.74 -1.08 0.58 0.02 0.00 0.00 177.57 177.83 1umo h VAL 93 N 0.29 1.41 -0.03 2.57 2.07 -1.47 -3.01 116.25 118.07 1umo h VAL 93 Ca -0.14 -2.63 -0.16 0.00 0.82 0.00 0.00 66.70 64.59 1umo h VAL 93 Cb 1.78 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 34.15 1umo h VAL 93 CO 0.21 0.78 -0.70 -0.33 0.02 0.00 0.00 177.57 177.55 1umo h GLU 94 N 0.19 0.16 -0.83 1.57 5.08 -1.63 -3.25 114.58 115.86 1umo h GLU 94 Ca -0.11 -0.13 -0.27 0.00 -1.00 0.00 0.00 59.36 57.85 1umo h GLU 94 Cb 1.74 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 30.86 1umo h GLU 94 CO 0.19 0.79 0.34 0.09 -1.00 0.00 0.00 179.01 179.42 1umo n ASN 95 N -3.77 4.42 0.00 1.42 5.03 -1.21 -4.57 115.26 116.58 1umo n ASN 95 Ca -0.02 -3.20 0.09 0.00 0.87 0.00 0.00 54.58 52.31 1umo n ASN 95 Cb 0.68 -0.75 0.44 0.00 -1.02 0.00 0.00 39.78 39.14 1umo n ASN 95 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1umo n LEU 96 N -0.31 0.00 0.13 3.41 4.77 -1.14 -1.14 117.00 122.72 1umo n LEU 96 Ca 0.42 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.83 1umo n LEU 96 Cb 1.38 -0.30 0.40 0.00 -2.33 0.00 0.00 43.42 42.57 1umo n LEU 96 CO 0.44 -0.12 0.88 1.12 -1.33 0.00 0.00 177.39 178.38 1umo h HIS 97 N 0.00 0.00 -3.37 -1.77 2.07 -1.89 -3.42 115.15 106.77 1umo h HIS 97 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 1umo h HIS 97 Cb 0.18 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.75 1umo h HIS 97 CO 0.00 0.00 -0.68 0.34 -3.07 0.00 0.00 177.93 174.52 1umo s ASP 98 N -4.77 4.29 0.55 3.10 3.68 -0.29 -4.98 116.67 118.25 1umo s ASP 98 Ca 0.08 -2.67 0.34 0.00 2.13 0.00 0.00 52.55 52.44 1umo s ASP 98 Cb 0.11 -1.49 1.44 0.00 -1.45 0.00 0.00 42.92 41.53 1umo s ASP 98 CO 0.57 -0.28 2.01 -0.65 0.13 0.00 0.00 175.17 176.94 1umo h PRO 99 N 6.89 0.00 0.00 4.34 0.11 -1.82 -1.38 132.00 140.13 1umo h PRO 99 Ca -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1umo h PRO 99 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1umo h PRO 99 CO 0.60 0.00 -0.11 -0.44 -0.21 0.00 0.00 178.00 177.84 1umo h ASP 100 N 0.00 0.00 0.00 -2.05 3.32 -1.93 -2.92 116.42 112.83 1umo h ASP 100 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1umo h ASP 100 Cb 0.47 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1umo h ASP 100 CO 0.00 0.11 -0.31 0.50 -1.72 0.00 0.00 179.24 177.82 1umo h LYS 101 N 0.00 0.00 -0.92 3.56 1.63 -1.58 -2.83 116.57 116.44 1umo h LYS 101 Ca -0.00 0.00 0.23 0.00 -0.85 0.00 0.00 60.65 60.03 1umo h LYS 101 Cb 1.03 0.00 -0.17 0.00 -0.60 0.00 0.00 32.23 32.49 1umo h LYS 101 CO 0.01 0.30 -0.02 -0.39 -3.45 0.00 0.00 179.45 175.90 1umo h VAL 102 N -1.00 0.12 -0.42 2.00 -1.51 -1.66 -1.50 116.25 112.28 1umo h VAL 102 Ca -0.04 -0.01 -0.07 0.00 -1.23 0.00 0.00 66.70 65.34 1umo h VAL 102 Cb 0.48 0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 29.71 1umo h VAL 102 CO -0.03 0.01 0.00 -1.28 -1.23 0.00 0.00 177.57 175.04 1umo h SER 103 N 0.04 0.73 -0.57 4.19 0.87 -1.63 -2.16 113.55 115.03 1umo h SER 103 Ca 0.52 -0.31 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1umo h SER 103 Cb 1.00 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1umo h SER 103 CO -0.85 0.86 0.25 0.77 -0.53 0.00 0.00 176.83 177.32 1umo h SER 104 N 0.59 0.77 -0.72 6.23 4.64 -1.18 -1.48 113.55 122.39 1umo h SER 104 Ca 0.12 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1umo h SER 104 Cb 0.48 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1umo h SER 104 CO 0.02 0.71 0.40 0.58 -0.87 0.00 0.00 176.83 177.67 1umo h VAL 105 N 0.78 1.22 0.13 0.95 2.07 -1.16 -2.06 116.25 118.19 1umo h VAL 105 Ca 0.19 -0.55 -0.28 0.00 0.82 0.00 0.00 66.70 66.88 1umo h VAL 105 Cb 0.17 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1umo h VAL 105 CO -0.02 0.25 -1.24 -0.07 0.02 0.00 0.00 177.57 176.50 1umo h LEU 106 N 1.02 0.56 -0.15 2.57 3.38 -1.23 -2.27 115.31 119.19 1umo h LEU 106 Ca 0.26 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1umo h LEU 106 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1umo h LEU 106 CO -0.04 1.42 0.05 0.00 0.09 0.00 0.00 178.44 179.96 1umo h ALA 107 N 0.50 0.16 -0.51 1.53 0.00 -1.22 -1.47 119.26 118.25 1umo h ALA 107 Ca -0.15 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1umo h ALA 107 Cb 1.95 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 1umo h ALA 107 CO 0.22 -0.39 0.23 -0.07 0.00 0.00 0.00 179.25 179.24 1umo h LEU 108 N 0.12 0.31 -1.05 0.00 -0.00 -1.34 0.32 115.31 113.66 1umo h LEU 108 Ca 0.06 0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 57.92 1umo h LEU 108 Cb 0.04 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 1umo h LEU 108 CO -0.07 0.21 -0.02 0.58 -0.00 0.00 0.00 178.44 179.14 1umo h VAL 109 N 0.45 1.23 0.00 1.22 2.07 -1.26 -1.57 116.25 118.39 1umo h VAL 109 Ca 0.24 -0.93 -0.19 0.00 0.82 0.00 0.00 66.70 66.63 1umo h VAL 109 Cb 0.19 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1umo h VAL 109 CO -0.19 0.32 -0.98 1.23 0.02 0.00 0.00 177.57 177.97 1umo h GLY 110 N 0.92 0.00 0.25 2.17 0.00 -0.40 -2.08 103.07 103.94 1umo h GLY 110 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1umo h GLY 110 CO 0.02 0.00 -0.00 1.70 0.00 0.00 0.00 176.54 178.26 1umo h LYS 111 N 0.00 -0.01 -0.12 4.80 3.64 -0.33 -2.38 116.57 122.17 1umo h LYS 111 Ca -0.05 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1umo h LYS 111 Cb 1.69 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.46 1umo h LYS 111 CO 0.10 0.73 -0.29 0.00 -2.27 0.00 0.00 179.45 177.73 1umo h ALA 112 N 0.22 -0.32 -0.41 5.00 0.00 -1.36 -0.39 119.26 122.00 1umo h ALA 112 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1umo h ALA 112 Cb 0.74 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1umo h ALA 112 CO 0.00 -0.76 0.18 0.45 0.00 0.00 0.00 179.25 179.12 1umo h HIS 113 N -0.37 0.57 0.59 0.00 3.86 -1.48 0.22 115.15 118.54 1umo h HIS 113 Ca 0.10 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1umo h HIS 113 Cb 0.51 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 28.81 1umo h HIS 113 CO -0.37 0.44 -0.28 0.00 0.86 0.00 0.00 177.93 178.57 1umo h ALA 114 N 1.62 -0.95 0.33 2.45 0.00 -1.04 0.11 119.26 121.78 1umo h ALA 114 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1umo h ALA 114 Cb 0.10 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1umo h ALA 114 CO -0.02 -0.89 -0.16 -0.07 0.00 0.00 0.00 179.25 178.12 1umo h LEU 115 N -1.00 -0.37 0.11 0.00 3.38 -1.03 -2.46 115.31 113.95 1umo h LEU 115 Ca -0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1umo h LEU 115 Cb 0.61 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1umo h LEU 115 CO 0.13 0.07 -0.05 0.11 0.09 0.00 0.00 178.44 178.79 1umo h LYS 116 N -1.11 -0.15 -0.00 1.13 6.56 -1.16 -3.35 116.57 118.49 1umo h LYS 116 Ca -0.04 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1umo h LYS 116 Cb 0.34 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1umo h LYS 116 CO 0.07 0.34 -0.44 0.72 -2.06 0.00 0.00 179.45 178.08 1umo n HIS 117 N -4.90 0.00 -2.15 -1.35 8.25 -0.98 -4.95 115.22 109.14 1umo n HIS 117 Ca -0.08 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.19 1umo n HIS 117 Cb 0.28 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1umo n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1umo n LYS 118 N -1.48 -1.71 -2.77 -0.41 5.02 0.29 -4.92 118.16 112.18 1umo n LYS 118 Ca 0.06 0.96 -0.42 0.00 -2.02 0.00 0.00 58.31 56.89 1umo n LYS 118 Cb 0.34 -5.51 -0.03 0.00 -0.02 0.00 0.00 35.03 29.80 1umo n LYS 118 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1umo s VAL 119 N -2.82 4.88 0.21 -0.18 1.01 -0.56 -5.01 120.40 117.94 1umo s VAL 119 Ca 0.00 1.93 -0.31 0.00 0.00 0.00 0.00 61.98 63.60 1umo s VAL 119 Cb 0.00 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1umo s VAL 119 CO 0.00 0.14 1.65 -1.61 0.00 0.00 0.00 175.10 175.28 1umo s GLU 120 N 1.24 4.15 0.55 2.72 2.02 -1.26 -4.59 118.70 123.53 1umo s GLU 120 Ca 0.48 2.53 0.29 0.00 0.02 0.00 0.00 54.97 58.29 1umo s GLU 120 Cb -0.20 -3.09 1.63 0.00 0.10 0.00 0.00 34.13 32.57 1umo s GLU 120 CO 0.23 -0.68 2.15 -1.00 0.02 0.00 0.00 175.26 175.98 1umo h PRO 121 N 6.37 0.00 -0.46 0.39 0.13 -1.97 -2.13 132.00 134.33 1umo h PRO 121 Ca -0.44 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.76 1umo h PRO 121 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1umo h PRO 121 CO 0.91 0.07 0.31 -0.24 -0.23 0.00 0.00 178.00 178.82 1umo h VAL 122 N 0.00 0.93 0.00 1.56 3.04 -2.01 -1.21 116.25 118.57 1umo h VAL 122 Ca -0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1umo h VAL 122 Cb 0.21 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 1umo h VAL 122 CO 0.01 0.06 0.00 1.88 -1.01 0.00 0.00 177.57 178.51 1umo h TYR 123 N 0.32 0.00 -0.13 3.17 0.05 -1.77 -0.69 116.97 117.93 1umo h TYR 123 Ca 0.20 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.76 1umo h TYR 123 Cb 0.39 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.14 1umo h TYR 123 CO -0.00 0.00 -0.80 0.74 -1.05 0.00 0.00 178.16 177.05 1umo h PHE 124 N 0.00 0.97 -0.40 4.88 0.04 -1.41 0.91 116.94 121.94 1umo h PHE 124 Ca 0.00 -0.44 0.08 0.00 2.80 0.00 0.00 57.97 60.41 1umo h PHE 124 Cb 0.15 -0.15 -0.07 0.00 2.20 0.00 0.00 35.95 38.08 1umo h PHE 124 CO 0.00 1.26 -0.09 -0.22 -0.60 0.00 0.00 178.31 178.66 1umo h LYS 125 N 0.48 0.01 -0.03 1.51 3.64 -1.20 -1.36 116.57 119.62 1umo h LYS 125 Ca -0.06 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1umo h LYS 125 Cb 1.42 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1umo h LYS 125 CO 0.16 0.00 -0.02 0.82 -2.27 0.00 0.00 179.45 178.14 1umo h ILE 126 N 0.01 1.36 -0.35 2.00 2.04 -1.08 -2.75 117.51 118.74 1umo h ILE 126 Ca 0.19 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 1umo h ILE 126 Cb 0.29 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1umo h ILE 126 CO -0.40 0.29 0.00 0.25 0.00 0.00 0.00 178.15 178.29 1umo h LEU 127 N -0.36 0.51 -0.89 1.44 5.85 -0.82 -1.50 115.31 119.55 1umo h LEU 127 Ca 0.01 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1umo h LEU 127 Cb 0.49 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1umo h LEU 127 CO 0.01 0.58 0.57 0.28 -0.34 0.00 0.00 178.44 179.54 1umo h SER 128 N 0.52 0.94 0.02 1.25 0.02 -1.12 0.45 113.55 115.65 1umo h SER 128 Ca 0.11 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1umo h SER 128 Cb 0.34 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1umo h SER 128 CO 0.01 0.64 -0.37 1.23 -1.14 0.00 0.00 176.83 177.20 1umo h GLY 129 N 1.10 0.50 0.85 -3.77 0.00 -1.12 -1.54 103.07 99.10 1umo h GLY 129 Ca 0.37 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1umo h GLY 129 CO -0.13 0.43 -0.04 -2.08 0.00 0.00 0.00 176.54 174.72 1umo h VAL 130 N 0.39 1.27 -0.49 4.60 2.07 -0.71 -1.64 116.25 121.74 1umo h VAL 130 Ca 0.04 -1.01 0.09 0.00 0.82 0.00 0.00 66.70 66.64 1umo h VAL 130 Cb 0.83 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 1umo h VAL 130 CO 0.07 0.32 0.01 0.40 0.02 0.00 0.00 177.57 178.38 1umo h ILE 131 N 0.24 0.62 -0.19 4.57 2.04 -0.80 -2.08 117.51 121.90 1umo h ILE 131 Ca 0.07 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1umo h ILE 131 Cb 0.49 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1umo h ILE 131 CO 0.02 0.02 0.11 0.25 0.00 0.00 0.00 178.15 178.55 1umo h LEU 132 N 0.12 0.18 -0.87 1.44 5.85 -1.23 -1.05 115.31 119.74 1umo h LEU 132 Ca 0.25 0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.16 1umo h LEU 132 Cb 0.37 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.25 1umo h LEU 132 CO -0.41 0.13 0.38 -0.08 -0.34 0.00 0.00 178.44 178.13 1umo h GLU 133 N 0.23 0.43 0.07 1.25 4.81 -0.91 -0.55 114.58 119.91 1umo h GLU 133 Ca 0.07 -0.03 -0.29 0.00 -0.13 0.00 0.00 59.36 58.99 1umo h GLU 133 Cb -0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1umo h GLU 133 CO -0.03 0.29 -1.50 0.28 -0.73 0.00 0.00 179.01 177.31 1umo h VAL 134 N 0.45 1.15 -0.46 0.32 2.07 -1.06 -2.37 116.25 116.35 1umo h VAL 134 Ca 0.52 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1umo h VAL 134 Cb 0.92 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 1umo h VAL 134 CO -0.48 0.78 0.30 0.58 0.02 0.00 0.00 177.57 178.77 1umo h VAL 135 N 0.04 1.12 -0.17 2.57 2.07 -1.01 -2.47 116.25 118.40 1umo h VAL 135 Ca -0.22 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1umo h VAL 135 Cb 1.97 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1umo h VAL 135 CO 0.13 0.12 -0.02 0.00 0.02 0.00 0.00 177.57 177.83 1umo h ALA 136 N 1.16 1.67 0.00 1.67 0.00 -0.98 -1.53 119.26 121.25 1umo h ALA 136 Ca 0.17 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1umo h ALA 136 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1umo h ALA 136 CO -0.04 0.25 -0.63 0.93 0.00 0.00 0.00 179.25 179.77 1umo h GLU 137 N 0.24 0.00 -0.10 0.00 5.08 -1.35 -3.12 114.58 115.32 1umo h GLU 137 Ca 0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1umo h GLU 137 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1umo h GLU 137 CO 0.01 0.48 -0.14 0.93 -1.00 0.00 0.00 179.01 179.29 1umo h GLU 138 N 0.00 0.27 -1.39 2.33 4.39 -0.81 -3.29 114.58 116.08 1umo h GLU 138 Ca -0.02 -0.16 -0.70 0.00 0.34 0.00 0.00 59.36 58.81 1umo h GLU 138 Cb 1.41 0.01 -0.30 0.00 -0.10 0.00 0.00 28.75 29.78 1umo h GLU 138 CO 0.06 0.72 0.78 1.19 -1.16 0.00 0.00 179.01 180.61 1umo n PHE 139 N -4.60 3.12 -0.20 4.33 3.01 -1.00 -4.74 117.46 117.38 1umo n PHE 139 Ca -0.07 -2.72 -0.07 0.00 1.01 0.00 0.00 57.45 55.60 1umo n PHE 139 Cb 0.37 -1.23 0.03 0.00 -0.01 0.00 0.00 39.48 38.63 1umo n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1umo h ALA 140 N 2.42 0.74 -0.04 4.37 0.00 -1.62 -3.01 119.26 122.12 1umo h ALA 140 Ca 0.57 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.38 1umo h ALA 140 Cb 0.55 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1umo h ALA 140 CO 1.46 0.31 -0.31 0.77 0.00 0.00 0.00 179.25 181.47 1umo h SER 141 N 0.78 -0.95 -4.28 0.00 0.02 -1.90 -3.36 113.55 103.87 1umo h SER 141 Ca 0.20 0.13 -0.66 0.00 -0.84 0.00 0.00 61.79 60.61 1umo h SER 141 Cb 0.13 0.39 -0.39 0.00 0.14 0.00 0.00 62.40 62.67 1umo h SER 141 CO -0.02 -0.37 -0.53 -0.62 -1.14 0.00 0.00 176.83 174.15 1umo s ASP 142 N -4.88 4.67 -0.45 3.07 -1.08 -1.15 -4.98 116.67 111.88 1umo s ASP 142 Ca -0.15 -2.94 0.05 0.00 -0.52 0.00 0.00 52.55 48.98 1umo s ASP 142 Cb 0.09 -1.72 0.18 0.00 -1.46 0.00 0.00 42.92 40.01 1umo s ASP 142 CO 0.65 -0.28 0.49 0.12 0.52 0.00 0.00 175.17 176.67 1umo s PHE 143 N -0.19 -0.04 0.75 -5.34 5.36 -1.17 -4.83 117.98 112.53 1umo s PHE 143 Ca 0.17 -1.55 -0.11 0.00 -0.96 0.00 0.00 56.93 54.48 1umo s PHE 143 Cb -0.24 -0.41 0.06 0.00 -0.34 0.00 0.00 43.02 42.09 1umo s PHE 143 CO -0.01 -1.01 1.11 -1.25 -1.46 0.00 0.00 175.22 172.60 1umo s PRO 144 N 0.48 2.30 0.60 10.12 0.04 -1.26 -4.83 135.00 142.44 1umo s PRO 144 Ca 0.31 0.13 0.29 0.00 0.04 0.00 0.00 61.00 61.77 1umo s PRO 144 Cb 0.01 -2.03 1.60 0.00 0.04 0.00 0.00 34.50 34.12 1umo s PRO 144 CO -0.13 -1.33 2.01 -1.35 0.04 0.00 0.00 177.00 176.24 1umo h PRO 145 N -0.82 0.00 0.00 0.56 0.11 -2.01 -2.75 132.00 127.09 1umo h PRO 145 Ca -0.45 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.42 1umo h PRO 145 Cb 1.30 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 1umo h PRO 145 CO 0.64 0.00 -1.51 1.49 -0.21 0.00 0.00 178.00 178.41 1umo h GLU 146 N 0.00 0.00 -0.10 1.05 4.57 -2.00 -2.84 114.58 115.26 1umo h GLU 146 Ca 0.12 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.09 1umo h GLU 146 Cb 0.75 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1umo h GLU 146 CO -0.00 0.46 -0.80 1.15 -1.18 0.00 0.00 179.01 178.64 1umo h THR 147 N 0.00 1.32 -0.38 0.32 2.02 -1.89 -2.98 112.91 111.32 1umo h THR 147 Ca -0.21 -2.09 0.08 0.00 0.77 0.00 0.00 66.41 64.96 1umo h THR 147 Cb 1.83 2.09 -0.08 0.00 -1.74 0.00 0.00 68.15 70.25 1umo h THR 147 CO 0.07 0.65 -0.17 1.56 0.37 0.00 0.00 175.52 177.99 1umo h GLN 148 N 0.42 -0.10 0.00 6.66 4.20 -1.46 -2.40 115.11 122.43 1umo h GLN 148 Ca -0.05 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1umo h GLN 148 Cb 1.41 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.22 1umo h GLN 148 CO 0.15 -0.07 -0.23 0.07 -0.67 0.00 0.00 178.83 178.09 1umo h ARG 149 N -0.10 0.00 -0.39 1.46 0.11 -1.58 -1.75 114.38 112.13 1umo h ARG 149 Ca 0.19 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.19 1umo h ARG 149 Cb 0.39 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 1umo h ARG 149 CO -0.45 0.00 -0.07 0.00 0.10 0.00 0.00 179.97 179.55 1umo h ALA 150 N 2.11 0.54 -0.58 0.08 0.00 -1.32 -0.89 119.26 119.20 1umo h ALA 150 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1umo h ALA 150 Cb 0.94 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1umo h ALA 150 CO 0.00 0.38 0.24 -1.49 0.00 0.00 0.00 179.25 178.38 1umo h TRP 151 N 0.55 0.88 -0.05 0.00 4.06 -1.31 -1.66 115.95 118.41 1umo h TRP 151 Ca 0.10 -0.06 -0.05 0.00 2.06 0.00 0.00 58.89 60.94 1umo h TRP 151 Cb 0.58 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.47 1umo h TRP 151 CO 0.05 0.70 -0.18 0.00 -3.56 0.00 0.00 178.44 175.45 1umo h ALA 152 N 1.08 1.61 -0.10 1.49 0.00 -1.19 0.12 119.26 122.27 1umo h ALA 152 Ca 0.19 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1umo h ALA 152 Cb 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1umo h ALA 152 CO -0.02 0.29 -0.85 -0.22 0.00 0.00 0.00 179.25 178.45 1umo h LYS 153 N 0.07 0.75 -0.60 0.00 3.64 -0.96 -2.17 116.57 117.32 1umo h LYS 153 Ca 0.01 -0.68 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 1umo h LYS 153 Cb 0.37 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1umo h LYS 153 CO 0.03 1.27 0.38 1.25 -2.27 0.00 0.00 179.45 180.11 1umo h LEU 154 N 0.47 0.70 0.26 5.20 5.85 -1.01 -2.14 115.31 124.64 1umo h LEU 154 Ca -0.08 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1umo h LEU 154 Cb 1.49 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1umo h LEU 154 CO 0.17 0.53 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.57 1umo h ARG 155 N 0.81 -0.37 0.00 1.25 1.12 -0.70 -1.43 114.38 115.06 1umo h ARG 155 Ca 0.22 0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 59.06 1umo h ARG 155 Cb -0.06 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.98 1umo h ARG 155 CO -0.04 -0.24 -0.25 0.78 -3.11 0.00 0.00 179.97 177.10 1umo h GLY 156 N -0.38 0.00 0.84 2.80 0.00 -1.35 -1.86 103.07 103.11 1umo h GLY 156 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1umo h GLY 156 CO 0.04 0.00 0.02 -2.00 0.00 0.00 0.00 176.54 174.59 1umo h LEU 157 N 0.00 0.35 -0.24 3.11 5.85 -0.99 -1.35 115.31 122.04 1umo h LEU 157 Ca -0.00 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1umo h LEU 157 Cb 0.46 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1umo h LEU 157 CO 0.03 0.55 -0.09 0.40 -0.34 0.00 0.00 178.44 178.99 1umo h ILE 158 N 0.14 0.70 -0.32 4.05 2.04 -0.96 -2.70 117.51 120.46 1umo h ILE 158 Ca 0.06 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.79 1umo h ILE 158 Cb 0.36 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1umo h ILE 158 CO 0.01 0.00 -0.32 0.22 0.00 0.00 0.00 178.15 178.05 1umo h TYR 159 N -0.04 0.82 0.00 1.37 5.03 -1.10 -2.56 116.97 120.50 1umo h TYR 159 Ca 0.12 -0.22 -0.13 0.00 2.58 0.00 0.00 58.73 61.09 1umo h TYR 159 Cb 0.23 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 1umo h TYR 159 CO -0.27 0.94 -0.87 0.66 -1.32 0.00 0.00 178.16 177.31 1umo h SER 160 N 0.60 0.00 -0.17 -2.11 4.64 -1.25 -1.87 113.55 113.38 1umo h SER 160 Ca 0.07 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.21 1umo h SER 160 Cb 0.84 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1umo h SER 160 CO 0.07 0.52 -0.58 0.45 -0.87 0.00 0.00 176.83 176.42 1umo h HIS 161 N 0.00 0.92 -0.02 4.77 3.86 -1.44 -0.86 115.15 122.37 1umo h HIS 161 Ca -0.06 -0.38 -0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1umo h HIS 161 Cb 1.45 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.77 1umo h HIS 161 CO 0.00 1.18 0.00 0.28 0.86 0.00 0.00 177.93 180.25 1umo h VAL 162 N 0.40 1.21 -0.85 2.45 2.07 -1.47 -2.76 116.25 117.29 1umo h VAL 162 Ca -0.02 -0.63 0.14 0.00 0.82 0.00 0.00 66.70 67.01 1umo h VAL 162 Cb 1.20 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.50 1umo h VAL 162 CO 0.12 0.17 0.55 0.74 0.02 0.00 0.00 177.57 179.17 1umo h THR 163 N -0.22 0.82 -0.08 2.57 2.02 -1.35 -1.41 112.91 115.27 1umo h THR 163 Ca 0.01 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 1umo h THR 163 Cb 0.27 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1umo h THR 163 CO 0.00 0.11 -0.48 0.00 0.37 0.00 0.00 175.52 175.52 1umo h ALA 164 N 1.61 1.04 -0.29 6.16 0.00 -1.04 -2.64 119.26 124.11 1umo h ALA 164 Ca 0.42 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1umo h ALA 164 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1umo h ALA 164 CO -0.18 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.67 1umo h ALA 165 N 1.33 0.39 -0.88 0.00 0.00 -0.98 -1.95 119.26 117.18 1umo h ALA 165 Ca 0.01 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.80 1umo h ALA 165 Cb 0.92 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1umo h ALA 165 CO 0.07 0.19 0.57 1.88 0.00 0.00 0.00 179.25 181.96 1umo h TYR 166 N 0.31 0.76 -0.22 0.00 0.05 -1.37 -1.98 116.97 114.51 1umo h TYR 166 Ca 0.08 0.02 -0.21 0.00 0.05 0.00 0.00 58.73 58.67 1umo h TYR 166 Cb 0.51 -0.24 0.01 0.00 1.01 0.00 0.00 36.73 38.02 1umo h TYR 166 CO 0.05 0.27 -0.67 -0.22 -1.05 0.00 0.00 178.16 176.54 1umo h LYS 167 N 0.64 0.83 -0.10 4.88 1.63 -1.33 -1.93 116.57 121.19 1umo h LYS 167 Ca 0.44 -0.61 0.03 0.00 -0.85 0.00 0.00 60.65 59.66 1umo h LYS 167 Cb 0.77 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.50 1umo h LYS 167 CO -0.20 1.23 0.10 0.93 -3.45 0.00 0.00 179.45 178.06 1umo h GLU 168 N 0.60 0.00 -0.39 1.90 5.08 -0.60 -2.73 114.58 118.44 1umo h GLU 168 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1umo h GLU 168 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1umo h GLU 168 CO 0.14 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.48 1umo n VAL 169 N -3.97 1.80 0.00 3.13 0.24 -1.01 -4.96 118.33 113.56 1umo n VAL 169 Ca -0.01 -1.42 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 1umo n VAL 169 Cb 0.20 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1umo n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1umo n GLY 170 N 0.25 1.36 0.00 7.63 0.00 -1.03 -5.08 105.19 108.32 1umo n GLY 170 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 1umo n GLY 170 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19