#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mop n GLY 3 N 0.00 -0.83 2.96 -5.12 0.00 -1.26 -4.65 105.19 96.29 3mop n GLY 3 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3mop n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mop n PRO 4 N -4.53 2.73 -1.71 1.61 -0.02 -1.26 -4.98 135.00 126.84 3mop n PRO 4 Ca -0.17 -2.64 -0.43 0.00 -2.02 0.00 0.00 63.50 58.24 3mop n PRO 4 Cb 0.44 -3.30 -0.03 0.00 -0.02 0.00 0.00 33.50 30.58 3mop n PRO 4 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3mop n ILE 5 N 5.53 0.01 -4.08 4.25 -0.00 -1.26 -4.98 119.36 118.83 3mop n ILE 5 Ca 0.51 -0.00 -0.07 0.00 -0.00 0.00 0.00 62.75 63.18 3mop n ILE 5 Cb 0.41 -1.90 -0.10 0.00 -0.00 0.00 0.00 39.64 38.05 3mop n ILE 5 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 3mop s THR 6 N 1.16 0.21 -1.44 1.39 -1.32 -1.26 -4.91 115.64 109.47 3mop s THR 6 Ca 0.76 -1.78 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 3mop s THR 6 Cb -0.54 -1.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.90 3mop s THR 6 CO 0.33 -0.94 0.12 -0.81 -2.21 0.00 0.00 174.62 171.12 3mop n PRO 7 N 0.09 0.17 -0.00 7.08 -0.04 -1.26 -1.37 135.00 139.67 3mop n PRO 7 Ca -0.13 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.33 3mop n PRO 7 Cb 0.61 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 33.01 3mop n PRO 7 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3mop n SER 8 N 0.01 4.72 -4.34 3.54 7.64 -1.26 -3.86 113.62 120.07 3mop n SER 8 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 3mop n SER 8 Cb 0.02 1.04 0.17 0.00 -1.01 0.00 0.00 64.21 64.43 3mop n SER 8 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3mop s THR 9 N -2.08 1.93 -0.03 0.44 -4.23 -0.47 -4.83 115.64 106.37 3mop s THR 9 Ca -0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 3mop s THR 9 Cb 0.01 -2.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 3mop s THR 9 CO 0.05 0.00 0.37 -0.31 -0.54 0.00 0.00 174.62 174.19 3mop s TYR 10 N -3.55 3.69 0.05 3.99 2.02 -1.26 -1.38 117.35 120.91 3mop s TYR 10 Ca 0.69 0.91 -0.30 0.00 -0.37 0.00 0.00 57.07 58.01 3mop s TYR 10 Cb -0.08 -2.27 -0.18 0.00 -0.40 0.00 0.00 41.96 39.03 3mop s TYR 10 CO 0.53 0.60 1.52 -0.24 -1.57 0.00 0.00 175.55 176.39 3mop h VAL 11 N 3.86 0.46 0.00 0.71 3.04 -1.56 -2.46 116.25 120.30 3mop h VAL 11 Ca -0.51 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 3mop h VAL 11 Cb 1.22 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3mop h VAL 11 CO 0.63 0.03 0.04 -2.11 -1.01 0.00 0.00 177.57 175.14 3mop n ARG 12 N -5.36 0.00 -0.14 4.17 1.85 -1.26 -0.96 116.66 114.96 3mop n ARG 12 Ca -0.12 0.14 0.09 0.00 -1.00 0.00 0.00 57.85 56.96 3mop n ARG 12 Cb 0.31 -1.54 0.28 0.00 -1.05 0.00 0.00 32.46 30.46 3mop n ARG 12 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3mop s LEU 14 N -1.32 4.23 0.13 0.00 1.43 -0.14 -4.17 118.68 118.85 3mop s LEU 14 Ca 0.30 0.83 -0.34 0.00 -1.03 0.00 0.00 54.13 53.89 3mop s LEU 14 Cb 0.16 -2.77 -0.17 0.00 0.03 0.00 0.00 46.19 43.44 3mop s LEU 14 CO 0.23 -0.10 0.98 0.59 0.23 0.00 0.00 176.35 178.28 3mop n ASN 15 N 4.15 0.34 0.12 2.29 3.02 -1.26 -4.78 115.26 119.14 3mop n ASN 15 Ca -0.05 1.14 0.11 0.00 -0.03 0.00 0.00 54.58 55.76 3mop n ASN 15 Cb 0.51 -1.07 0.48 0.00 -0.61 0.00 0.00 39.78 39.09 3mop n ASN 15 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3mop n VAL 16 N 1.12 0.85 0.02 2.41 0.31 -1.26 -2.01 118.33 119.77 3mop n VAL 16 Ca 0.17 0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 64.62 3mop n VAL 16 Cb 0.20 -1.16 -0.09 0.00 -0.91 0.00 0.00 33.84 31.88 3mop n VAL 16 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3mop h GLY 17 N 2.23 -0.14 1.59 2.92 0.00 -2.00 -3.25 103.07 104.42 3mop h GLY 17 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 3mop h GLY 17 CO 0.00 -0.05 0.04 -2.00 0.00 0.00 0.00 176.54 174.53 3mop h LEU 18 N -0.76 0.48 0.38 3.11 6.46 -1.84 -3.05 115.31 120.09 3mop h LEU 18 Ca -0.01 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 3mop h LEU 18 Cb 0.57 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 3mop h LEU 18 CO 0.02 0.53 -0.18 0.40 -0.62 0.00 0.00 178.44 178.59 3mop h ILE 19 N 0.51 0.64 0.00 4.05 2.04 -1.52 -0.81 117.51 122.41 3mop h ILE 19 Ca 0.11 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3mop h ILE 19 Cb 0.27 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3mop h ILE 19 CO 0.00 0.01 0.05 -1.14 0.00 0.00 0.00 178.15 177.08 3mop n ARG 20 N -5.29 0.00 -0.07 2.37 0.63 -1.16 0.16 116.66 113.30 3mop n ARG 20 Ca -0.11 0.10 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 3mop n ARG 20 Cb 0.23 -1.55 -0.05 0.00 0.45 0.00 0.00 32.46 31.54 3mop n ARG 20 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3mop n LYS 21 N -0.99 0.33 0.00 -0.14 4.81 -0.45 -4.21 118.16 117.52 3mop n LYS 21 Ca 0.00 0.14 0.08 0.00 -0.87 0.00 0.00 58.31 57.66 3mop n LYS 21 Cb 0.05 -1.07 0.47 0.00 0.02 0.00 0.00 35.03 34.50 3mop n LYS 21 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 3mop n LEU 22 N -3.84 0.00 -0.04 3.14 -0.00 -0.44 -2.01 117.00 113.80 3mop n LEU 22 Ca -0.24 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.64 3mop n LEU 22 Cb 0.59 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.93 3mop n LEU 22 CO 0.05 0.00 0.62 -1.28 -0.00 0.00 0.00 177.39 176.78 3mop h SER 23 N 0.00 0.27 -0.02 1.45 0.87 -0.47 -3.17 113.55 112.48 3mop h SER 23 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3mop h SER 23 Cb 0.00 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3mop h SER 23 CO 0.00 0.69 0.03 0.44 -0.53 0.00 0.00 176.83 177.46 3mop h ASP 24 N -0.15 0.00 0.07 6.23 3.32 -1.57 0.45 116.42 124.77 3mop h ASP 24 Ca 0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3mop h ASP 24 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3mop h ASP 24 CO 0.02 0.00 -0.04 -0.26 -1.72 0.00 0.00 179.24 177.25 3mop h PHE 25 N 0.00 -0.09 0.00 4.55 0.04 -1.65 -3.39 116.94 116.40 3mop h PHE 25 Ca 0.01 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3mop h PHE 25 Cb 0.06 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 3mop h PHE 25 CO 0.00 -0.06 -0.10 0.82 -0.60 0.00 0.00 178.31 178.37 3mop h ILE 26 N -0.40 0.42 -0.34 -0.55 1.08 -1.39 -3.32 117.51 113.02 3mop h ILE 26 Ca -0.01 -0.56 -0.06 0.00 -0.39 0.00 0.00 64.86 63.85 3mop h ILE 26 Cb 0.08 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 3mop h ILE 26 CO 0.02 0.10 -0.01 0.44 -0.69 0.00 0.00 178.15 178.01 3mop h ASP 27 N 0.00 0.59 -3.53 1.72 3.45 -0.29 0.07 116.42 118.43 3mop h ASP 27 Ca -0.00 -0.32 -0.50 0.00 0.43 0.00 0.00 57.03 56.65 3mop h ASP 27 Cb 0.38 -0.16 0.02 0.00 -0.56 0.00 0.00 39.33 39.01 3mop h ASP 27 CO 0.01 0.77 0.06 -2.16 -1.57 0.00 0.00 179.24 176.35 3mop s PRO 28 N -4.96 3.63 -0.93 3.56 0.05 -1.25 -4.13 135.00 130.98 3mop s PRO 28 Ca -0.13 0.24 -0.06 0.00 0.05 0.00 0.00 61.00 61.10 3mop s PRO 28 Cb 0.09 -2.43 0.01 0.00 0.05 0.00 0.00 34.50 32.22 3mop s PRO 28 CO 0.78 -0.07 0.81 1.04 0.05 0.00 0.00 177.00 179.60 3mop n GLN 29 N -1.73 -5.46 -2.39 4.56 6.02 -1.26 -2.51 117.38 114.61 3mop n GLN 29 Ca 0.01 0.57 -0.07 0.00 -0.01 0.00 0.00 57.00 57.49 3mop n GLN 29 Cb 0.55 -4.81 -0.01 0.00 1.02 0.00 0.00 30.24 26.99 3mop n GLN 29 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3mop n GLU 30 N -3.58 -2.45 -0.27 -1.09 1.02 -1.26 -4.79 120.64 108.22 3mop n GLU 30 Ca 0.01 0.36 0.07 0.00 -0.02 0.00 0.00 57.16 57.57 3mop n GLU 30 Cb 0.54 -4.89 0.30 0.00 -0.02 0.00 0.00 31.44 27.37 3mop n GLU 30 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3mop h GLY 31 N 0.00 1.23 2.00 0.62 0.00 -1.23 -0.44 103.07 105.25 3mop h GLY 31 Ca -0.17 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 3mop h GLY 31 CO 0.21 0.22 -0.37 0.11 0.00 0.00 0.00 176.54 176.70 3mop h TRP 32 N 0.88 0.00 -0.69 5.60 5.08 -1.25 -2.50 115.95 123.08 3mop h TRP 32 Ca 0.40 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.30 3mop h TRP 32 Cb 0.37 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.50 3mop h TRP 32 CO -0.00 0.37 0.19 0.87 -1.28 0.00 0.00 178.44 178.59 3mop h LYS 33 N 0.00 1.07 -0.15 0.12 1.57 -1.39 0.63 116.57 118.43 3mop h LYS 33 Ca -0.00 -0.24 -0.13 0.00 -1.87 0.00 0.00 60.65 58.41 3mop h LYS 33 Cb 0.82 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3mop h LYS 33 CO 0.05 0.93 -0.49 0.87 -0.57 0.00 0.00 179.45 180.25 3mop h LYS 34 N 1.03 0.38 -0.03 3.15 1.57 -1.38 -2.90 116.57 118.39 3mop h LYS 34 Ca 0.22 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3mop h LYS 34 Cb 0.33 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3mop h LYS 34 CO -0.00 0.79 -0.09 1.25 -0.57 0.00 0.00 179.45 180.82 3mop h LEU 35 N 0.31 0.14 -0.83 2.94 5.85 -1.00 -3.12 115.31 119.59 3mop h LEU 35 Ca 0.02 -0.60 0.11 0.00 0.84 0.00 0.00 57.88 58.24 3mop h LEU 35 Cb 0.97 -0.04 -0.12 0.00 0.37 0.00 0.00 40.66 41.84 3mop h LEU 35 CO 0.08 0.72 -0.38 0.00 -0.34 0.00 0.00 178.44 178.51 3mop n ALA 36 N -2.43 -0.26 0.40 1.25 0.00 0.22 -0.69 120.51 118.99 3mop n ALA 36 Ca -0.08 0.78 0.13 0.00 0.00 0.00 0.00 53.44 54.27 3mop n ALA 36 Cb 0.36 -0.28 0.40 0.00 0.00 0.00 0.00 19.45 19.93 3mop n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3mop h VAL 37 N 0.00 0.00 0.00 0.00 2.07 -1.63 -2.80 116.25 113.89 3mop h VAL 37 Ca 0.23 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3mop h VAL 37 Cb 0.44 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3mop h VAL 37 CO -0.81 0.00 0.00 0.00 0.02 0.00 0.00 177.57 176.78 3mop h ALA 38 N 2.23 1.00 -2.12 1.67 0.00 -0.84 -3.43 119.26 117.77 3mop h ALA 38 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3mop h ALA 38 Cb 0.71 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 3mop h ALA 38 CO 0.00 0.00 0.68 0.42 0.00 0.00 0.00 179.25 180.35 3mop s ILE 39 N -3.28 4.69 -0.01 0.00 1.01 -0.79 -5.01 121.20 117.80 3mop s ILE 39 Ca 0.06 1.73 0.04 0.00 0.00 0.00 0.00 60.65 62.48 3mop s ILE 39 Cb 0.06 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 3mop s ILE 39 CO 0.64 -0.24 -0.14 -0.54 0.00 0.00 0.00 174.94 174.66 3mop s LYS 40 N 3.20 1.12 1.42 2.79 1.02 -1.26 -1.70 119.74 126.33 3mop s LYS 40 Ca 0.41 -0.48 -0.23 0.00 0.02 0.00 0.00 55.97 55.68 3mop s LYS 40 Cb -0.14 -1.08 0.36 0.00 -0.52 0.00 0.00 37.83 36.45 3mop s LYS 40 CO 0.10 0.28 0.94 0.15 -0.92 0.00 0.00 175.35 175.90 3mop s LYS 41 N -0.29 -2.89 0.25 1.68 1.02 -0.94 -4.82 119.74 113.75 3mop s LYS 41 Ca 0.05 0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.16 3mop s LYS 41 Cb -0.06 -1.39 0.30 0.00 -0.52 0.00 0.00 37.83 36.17 3mop s LYS 41 CO -0.00 -4.84 1.62 -1.35 -0.92 0.00 0.00 175.35 169.85 3mop h PRO 42 N -3.39 0.38 -1.01 -1.68 0.11 -2.01 -2.73 132.00 121.67 3mop h PRO 42 Ca -0.43 -0.21 0.23 0.00 0.11 0.00 0.00 66.00 65.71 3mop h PRO 42 Cb 1.34 0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.35 3mop h PRO 42 CO 0.28 0.77 0.62 0.66 -0.21 0.00 0.00 178.00 180.12 3mop h SER 43 N 0.31 0.63 0.00 -2.05 4.64 -2.02 -3.45 113.55 111.61 3mop h SER 43 Ca 0.02 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3mop h SER 43 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3mop h SER 43 CO 0.08 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3mop n GLY 44 N -1.37 0.81 3.70 -0.77 0.00 -1.03 -5.10 105.19 101.43 3mop n GLY 44 Ca 0.25 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3mop n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mop n ASP 45 N 0.01 1.85 -4.53 1.61 8.00 -1.26 -4.63 116.55 117.60 3mop n ASP 45 Ca 0.00 0.87 -0.55 0.00 0.71 0.00 0.00 54.79 55.82 3mop n ASP 45 Cb 0.00 -1.51 -0.07 0.00 -0.02 0.00 0.00 41.12 39.53 3mop n ASP 45 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mop n ASP 46 N -1.23 0.49 0.00 -2.24 9.92 -1.26 -2.22 116.55 120.00 3mop n ASP 46 Ca 0.13 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.54 3mop n ASP 46 Cb 0.46 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 3mop n ASP 46 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3mop n ARG 47 N 1.77 0.00 -2.88 -1.24 0.63 -0.69 -4.65 116.66 109.60 3mop n ARG 47 Ca 0.19 0.25 -0.40 0.00 -0.92 0.00 0.00 57.85 56.96 3mop n ARG 47 Cb 0.14 -1.05 -0.05 0.00 0.45 0.00 0.00 32.46 31.95 3mop n ARG 47 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3mop s TYR 48 N -1.41 3.84 0.41 -0.14 2.02 -1.26 -4.97 117.35 115.85 3mop s TYR 48 Ca 0.00 1.67 0.08 0.00 -0.37 0.00 0.00 57.07 58.45 3mop s TYR 48 Cb 0.00 -2.89 -0.03 0.00 -0.40 0.00 0.00 41.96 38.63 3mop s TYR 48 CO 0.00 0.35 0.29 0.54 -1.57 0.00 0.00 175.55 175.16 3mop s ASN 49 N -0.51 4.78 0.14 2.29 2.20 -1.26 -4.81 114.94 117.77 3mop s ASN 49 Ca 0.40 -0.89 0.08 0.00 -0.94 0.00 0.00 52.86 51.52 3mop s ASN 49 Cb -0.23 -0.54 0.51 0.00 -2.00 0.00 0.00 41.25 39.00 3mop s ASN 49 CO 0.27 -0.60 0.60 1.67 -2.94 0.00 0.00 177.10 176.10 3mop n GLN 50 N -1.41 -0.02 -0.07 3.55 7.27 -1.26 -0.49 117.38 124.95 3mop n GLN 50 Ca 0.01 0.52 -0.14 0.00 0.07 0.00 0.00 57.00 57.46 3mop n GLN 50 Cb 0.63 -0.93 -0.13 0.00 2.41 0.00 0.00 30.24 32.21 3mop n GLN 50 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 3mop h PHE 51 N 0.00 0.01 -0.19 3.69 0.04 -2.00 -3.14 116.94 115.36 3mop h PHE 51 Ca 0.32 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.14 3mop h PHE 51 Cb 0.86 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.94 3mop h PHE 51 CO -0.00 1.00 -0.28 0.45 -0.60 0.00 0.00 178.31 178.88 3mop h HIS 52 N -0.98 -0.76 -0.70 -0.55 3.86 -1.16 -2.40 115.15 112.46 3mop h HIS 52 Ca -0.00 0.04 0.15 0.00 -1.16 0.00 0.00 60.37 59.40 3mop h HIS 52 Cb 1.01 0.36 -0.11 0.00 1.06 0.00 0.00 27.41 29.73 3mop h HIS 52 CO 0.28 -0.36 0.12 0.82 0.86 0.00 0.00 177.93 179.64 3mop h ILE 53 N -0.32 0.49 -0.56 2.45 1.08 -1.47 0.17 117.51 119.35 3mop h ILE 53 Ca 0.12 -0.07 0.11 0.00 -0.39 0.00 0.00 64.86 64.62 3mop h ILE 53 Cb 0.50 0.26 -0.09 0.00 -3.07 0.00 0.00 36.82 34.42 3mop h ILE 53 CO -0.37 0.04 0.05 0.03 -0.69 0.00 0.00 178.15 177.21 3mop h ARG 54 N 0.21 0.16 -0.36 2.37 2.47 -1.39 -1.65 114.38 116.19 3mop h ARG 54 Ca 0.39 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 59.15 3mop h ARG 54 Cb 0.66 -0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.86 3mop h ARG 54 CO -0.53 0.11 -0.51 0.00 0.56 0.00 0.00 179.97 179.60 3mop h ARG 55 N 0.17 -0.39 -0.47 0.04 3.08 -0.19 -2.20 114.38 114.42 3mop h ARG 55 Ca 0.29 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.44 3mop h ARG 55 Cb 0.45 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 3mop h ARG 55 CO -0.44 -0.26 0.12 0.74 -1.07 0.00 0.00 179.97 179.05 3mop h PHE 56 N -0.41 0.19 -0.99 3.04 -1.00 -1.04 -1.12 116.94 115.62 3mop h PHE 56 Ca 0.09 0.03 0.35 0.00 2.81 0.00 0.00 57.97 61.25 3mop h PHE 56 Cb 0.61 -0.01 -0.16 0.00 3.61 0.00 0.00 35.95 39.99 3mop h PHE 56 CO -0.67 0.03 0.48 0.93 -1.61 0.00 0.00 178.31 177.47 3mop h GLU 57 N 0.26 0.15 0.00 1.51 5.08 -0.72 0.23 114.58 121.09 3mop h GLU 57 Ca 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3mop h GLU 57 Cb 0.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3mop h GLU 57 CO -0.29 0.10 0.00 0.00 -1.00 0.00 0.00 179.01 177.82 3mop n ALA 58 N -2.39 2.00 0.85 3.43 0.00 -0.42 -2.42 120.51 121.57 3mop n ALA 58 Ca 0.33 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.71 3mop n ALA 58 Cb 1.07 -1.35 0.10 0.00 0.00 0.00 0.00 19.45 19.27 3mop n ALA 58 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mop n LEU 59 N -1.46 1.78 -0.07 0.00 4.77 0.82 -3.21 117.00 119.64 3mop n LEU 59 Ca 0.06 -0.90 -0.12 0.00 -0.03 0.00 0.00 56.01 55.02 3mop n LEU 59 Cb 0.23 -0.38 -0.15 0.00 -2.33 0.00 0.00 43.42 40.80 3mop n LEU 59 CO 0.19 0.32 -0.93 0.18 -1.33 0.00 0.00 177.39 175.82 3mop n LEU 60 N 0.14 0.95 0.33 2.23 7.99 -1.01 -1.58 117.00 126.05 3mop n LEU 60 Ca 0.07 0.15 0.19 0.00 -0.01 0.00 0.00 56.01 56.41 3mop n LEU 60 Cb 0.37 0.04 1.01 0.00 -0.11 0.00 0.00 43.42 44.73 3mop n LEU 60 CO 0.07 0.55 1.16 -0.61 -1.51 0.00 0.00 177.39 177.05 3mop h GLN 61 N 0.01 0.00 0.00 3.23 4.15 -1.77 -2.46 115.11 118.26 3mop h GLN 61 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 3mop h GLN 61 Cb 2.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.79 3mop h GLN 61 CO 0.04 0.00 -1.35 0.25 -1.93 0.00 0.00 178.83 175.83 3mop n THR 62 N -3.01 0.00 -2.08 2.39 -2.24 -1.25 -5.02 114.28 103.07 3mop n THR 62 Ca -0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3mop n THR 62 Cb 0.23 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3mop n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mop n GLY 63 N 1.47 0.63 3.19 3.38 0.00 -0.93 -5.07 105.19 107.86 3mop n GLY 63 Ca -0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3mop n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mop s LYS 64 N -4.13 3.08 -0.99 1.61 -0.14 -0.61 -5.05 119.74 113.50 3mop s LYS 64 Ca 0.00 -0.82 -0.20 0.00 -1.36 0.00 0.00 55.97 53.59 3mop s LYS 64 Cb 0.00 -2.50 -0.28 0.00 -1.68 0.00 0.00 37.83 33.37 3mop s LYS 64 CO 0.00 -0.02 2.42 0.45 -0.76 0.00 0.00 175.35 177.44 3mop n SER 65 N 4.12 -0.55 0.00 2.83 2.88 -1.26 -4.68 113.62 116.96 3mop n SER 65 Ca -0.20 -0.20 0.08 0.00 -1.33 0.00 0.00 58.87 57.22 3mop n SER 65 Cb 0.51 -0.74 0.35 0.00 -0.75 0.00 0.00 64.21 63.58 3mop n SER 65 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3mop n PRO 66 N 7.03 0.00 -0.05 -1.46 -0.05 -1.26 -0.85 135.00 138.36 3mop n PRO 66 Ca 0.67 0.22 -0.11 0.00 -0.05 0.00 0.00 63.50 64.22 3mop n PRO 66 Cb 0.09 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 31.99 3mop n PRO 66 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 3mop h THR 67 N 0.00 1.20 0.76 0.52 2.02 -1.91 -2.59 112.91 112.92 3mop h THR 67 Ca 0.00 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 3mop h THR 67 Cb 0.28 1.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3mop h THR 67 CO 0.00 0.20 -0.37 -1.28 0.37 0.00 0.00 175.52 174.44 3mop h SER 68 N 0.11 -0.87 -0.54 4.18 0.87 -1.39 0.26 113.55 116.18 3mop h SER 68 Ca 0.06 0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.79 3mop h SER 68 Cb 0.26 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 3mop h SER 68 CO 0.00 -0.54 0.70 -0.33 -0.53 0.00 0.00 176.83 176.12 3mop h GLU 69 N -1.16 0.00 0.04 2.24 4.39 -1.06 0.83 114.58 119.86 3mop h GLU 69 Ca -0.10 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.22 3mop h GLU 69 Cb 0.80 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.40 3mop h GLU 69 CO 0.17 0.00 -2.26 -0.11 -1.16 0.00 0.00 179.01 175.66 3mop n LEU 70 N -3.42 2.21 0.23 1.33 0.00 -0.98 -3.35 117.00 113.02 3mop n LEU 70 Ca 0.11 0.03 -0.15 0.00 0.00 0.00 0.00 56.01 56.00 3mop n LEU 70 Cb 0.89 -0.64 -0.08 0.00 0.00 0.00 0.00 43.42 43.59 3mop n LEU 70 CO 0.23 0.79 0.61 -0.07 0.00 0.00 0.00 177.39 178.96 3mop h LEU 71 N 0.02 -0.48 -0.30 -1.96 3.38 0.41 0.21 115.31 116.59 3mop h LEU 71 Ca -0.50 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.46 3mop h LEU 71 Cb 2.01 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 42.80 3mop h LEU 71 CO -0.00 -0.22 -0.43 0.15 0.09 0.00 0.00 178.44 178.03 3mop h PHE 72 N -0.74 -1.26 -0.30 1.13 3.57 -0.43 -2.12 116.94 116.78 3mop h PHE 72 Ca -0.06 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.59 3mop h PHE 72 Cb 0.52 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 3mop h PHE 72 CO -0.01 -0.46 0.23 0.22 -2.23 0.00 0.00 178.31 176.06 3mop h ASP 73 N -0.40 0.00 -0.22 0.41 -0.00 -1.51 0.30 116.42 115.00 3mop h ASP 73 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.14 3mop h ASP 73 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.93 3mop h ASP 73 CO -0.51 0.00 0.00 1.87 -0.00 0.00 0.00 179.24 180.60 3mop n TRP 74 N -4.35 0.28 0.11 0.28 -0.00 0.72 -3.82 117.44 110.66 3mop n TRP 74 Ca 0.04 -0.14 0.00 0.00 -0.00 0.00 0.00 57.50 57.41 3mop n TRP 74 Cb 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.68 3mop n TRP 74 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 3mop h GLY 75 N 4.88 0.00 -1.94 5.87 0.00 0.28 -3.30 103.07 108.86 3mop h GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mop h GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3mop n THR 76 N -3.19 0.40 -2.18 4.70 -2.24 -1.21 -0.62 114.28 109.95 3mop n THR 76 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3mop n THR 76 Cb 0.79 -0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3mop n THR 76 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3mop n THR 77 N 0.75 0.00 0.00 4.28 -1.04 -1.24 -5.03 114.28 112.00 3mop n THR 77 Ca 0.00 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 3mop n THR 77 Cb 0.21 0.60 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 3mop n THR 77 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mop n ASN 78 N 0.18 0.00 0.00 8.00 3.02 0.21 -4.85 115.26 121.81 3mop n ASN 78 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3mop n ASN 78 Cb 0.83 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 3mop n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mop s THR 80 N 0.00 3.37 0.63 0.00 -1.32 -1.26 -2.55 115.64 114.51 3mop s THR 80 Ca 0.00 0.80 0.25 0.00 -1.21 0.00 0.00 61.69 61.53 3mop s THR 80 Cb 0.00 -3.31 0.29 0.00 -1.51 0.00 0.00 72.50 67.97 3mop s THR 80 CO 0.00 -0.24 1.70 0.58 -2.21 0.00 0.00 174.62 174.45 3mop h VAL 81 N 1.04 0.12 0.00 5.08 2.07 -1.48 0.29 116.25 123.37 3mop h VAL 81 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3mop h VAL 81 Cb 1.25 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3mop h VAL 81 CO 0.57 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.77 3mop n GLY 82 N -1.42 -2.36 0.51 2.17 0.00 -1.25 -2.44 105.19 100.41 3mop n GLY 82 Ca 0.05 0.00 0.38 0.00 0.00 0.00 0.00 46.02 46.45 3mop n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mop n ASP 83 N -1.97 0.00 0.01 1.61 8.00 0.06 -0.59 116.55 123.67 3mop n ASP 83 Ca 0.00 0.72 -0.08 0.00 0.71 0.00 0.00 54.79 56.13 3mop n ASP 83 Cb 0.00 -0.35 -0.06 0.00 -0.02 0.00 0.00 41.12 40.69 3mop n ASP 83 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3mop h LEU 84 N 0.00 -0.12 -0.16 0.64 5.85 -1.20 -2.97 115.31 117.34 3mop h LEU 84 Ca 0.67 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 3mop h LEU 84 Cb 2.74 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 43.79 3mop h LEU 84 CO -0.01 0.50 0.04 -0.37 -0.34 0.00 0.00 178.44 178.26 3mop h VAL 85 N -0.96 1.19 0.00 1.05 -1.51 -0.50 0.77 116.25 116.29 3mop h VAL 85 Ca -0.01 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 3mop h VAL 85 Cb 0.46 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 3mop h VAL 85 CO 0.02 0.18 0.35 0.44 -1.23 0.00 0.00 177.57 177.34 3mop h ASP 86 N 0.07 0.00 0.00 4.19 5.19 -1.10 1.71 116.42 126.48 3mop h ASP 86 Ca 0.05 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 3mop h ASP 86 Cb 0.24 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 3mop h ASP 86 CO -0.00 0.00 -1.69 -0.11 -3.12 0.00 0.00 179.24 174.32 3mop n LEU 87 N -2.61 0.00 -0.01 1.55 7.94 -0.70 -3.33 117.00 119.84 3mop n LEU 87 Ca -0.02 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.80 3mop n LEU 87 Cb 0.39 0.02 -0.07 0.00 0.53 0.00 0.00 43.42 44.29 3mop n LEU 87 CO 0.10 0.02 0.26 -0.07 -1.11 0.00 0.00 177.39 176.60 3mop h LEU 88 N 0.00 -0.08 0.41 -1.96 3.38 0.78 -3.10 115.31 114.74 3mop h LEU 88 Ca -0.02 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3mop h LEU 88 Cb 0.75 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3mop h LEU 88 CO 0.00 0.60 -0.39 0.16 0.09 0.00 0.00 178.44 178.90 3mop h ILE 89 N -0.96 0.00 0.00 1.22 3.07 0.18 0.58 117.51 121.60 3mop h ILE 89 Ca -0.01 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.40 3mop h ILE 89 Cb 0.51 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.06 3mop h ILE 89 CO 0.01 0.00 0.28 0.00 -1.05 0.00 0.00 178.15 177.39 3mop n GLN 90 N -4.77 0.05 -0.13 0.16 -0.00 -1.21 0.25 117.38 111.73 3mop n GLN 90 Ca -0.09 0.44 0.04 0.00 -0.00 0.00 0.00 57.00 57.39 3mop n GLN 90 Cb 0.36 -1.93 0.11 0.00 -0.00 0.00 0.00 30.24 28.77 3mop n GLN 90 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3mop n ASN 91 N -1.70 2.65 -0.48 2.61 2.85 -0.81 -4.98 115.26 115.40 3mop n ASN 91 Ca -0.00 -2.12 -0.06 0.00 -0.11 0.00 0.00 54.58 52.29 3mop n ASN 91 Cb 0.29 -0.18 -0.02 0.00 1.24 0.00 0.00 39.78 41.10 3mop n ASN 91 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3mop n GLU 92 N 0.00 -0.41 -3.01 1.20 1.02 0.71 -4.95 120.64 115.20 3mop n GLU 92 Ca 0.08 0.62 -0.44 0.00 -0.02 0.00 0.00 57.16 57.41 3mop n GLU 92 Cb 0.41 -4.38 0.01 0.00 -0.02 0.00 0.00 31.44 27.45 3mop n GLU 92 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3mop n PHE 93 N -3.05 3.53 0.03 -0.32 3.01 0.19 -4.77 117.46 116.08 3mop n PHE 93 Ca -0.06 -3.09 -0.16 0.00 1.01 0.00 0.00 57.45 55.15 3mop n PHE 93 Cb 0.25 -1.58 -0.06 0.00 -0.01 0.00 0.00 39.48 38.09 3mop n PHE 93 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 3mop h PHE 94 N 6.00 0.87 -0.60 1.38 0.04 -1.88 -2.78 116.94 119.97 3mop h PHE 94 Ca 0.23 -0.43 0.04 0.00 2.80 0.00 0.00 57.97 60.61 3mop h PHE 94 Cb 0.72 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.71 3mop h PHE 94 CO 0.97 1.25 0.35 0.00 -0.60 0.00 0.00 178.31 180.29 3mop h ALA 95 N 0.62 0.79 -0.05 2.45 0.00 -1.97 0.12 119.26 121.21 3mop h ALA 95 Ca -0.08 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3mop h ALA 95 Cb 1.52 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.17 3mop h ALA 95 CO 0.17 0.06 -0.56 -1.00 0.00 0.00 0.00 179.25 177.93 3mop h PRO 96 N 0.68 0.47 -0.68 0.00 0.13 -1.97 -3.12 132.00 127.51 3mop h PRO 96 Ca 0.25 -0.44 0.17 0.00 -0.87 0.00 0.00 66.00 65.12 3mop h PRO 96 Cb 0.08 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.28 3mop h PRO 96 CO -0.13 1.08 0.47 0.00 -0.23 0.00 0.00 178.00 179.19 3mop h ALA 97 N 0.40 2.38 -0.13 -0.56 0.00 -1.32 0.79 119.26 120.82 3mop h ALA 97 Ca -0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3mop h ALA 97 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3mop h ALA 97 CO 0.11 -0.57 -0.52 0.66 0.00 0.00 0.00 179.25 178.93 3mop h SER 98 N 0.18 0.39 -0.54 0.00 4.64 -0.73 -2.70 113.55 114.80 3mop h SER 98 Ca 0.33 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 3mop h SER 98 Cb 1.05 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 3mop h SER 98 CO -0.06 0.85 0.24 0.25 -0.87 0.00 0.00 176.83 177.24 3mop h LEU 99 N 0.28 0.71 0.00 5.97 5.85 -0.80 -2.90 115.31 124.43 3mop h LEU 99 Ca 0.01 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3mop h LEU 99 Cb 1.01 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3mop h LEU 99 CO 0.09 0.66 0.00 0.18 -0.34 0.00 0.00 178.44 179.03 3mop n LEU 100 N -4.56 0.06 -3.59 2.25 4.77 -0.94 -4.78 117.00 110.21 3mop n LEU 100 Ca 0.03 0.80 -0.27 0.00 -0.03 0.00 0.00 56.01 56.54 3mop n LEU 100 Cb 0.13 -0.34 -0.16 0.00 -2.33 0.00 0.00 43.42 40.72 3mop n LEU 100 CO 0.38 -0.34 -0.33 -1.48 -1.33 0.00 0.00 177.39 174.29 3mop s LEU 101 N -3.01 0.39 0.00 2.23 2.34 -1.02 -4.93 118.68 114.68 3mop s LEU 101 Ca 0.00 -0.78 0.00 0.00 0.06 0.00 0.00 54.13 53.41 3mop s LEU 101 Cb 0.00 -0.26 0.00 0.00 -0.56 0.00 0.00 46.19 45.37 3mop s LEU 101 CO 0.00 -0.37 0.22 -2.65 -1.06 0.00 0.00 176.35 172.48 3mop n PRO 102 N 5.27 0.17 0.00 1.48 -0.02 -1.09 -4.18 135.00 136.63 3mop n PRO 102 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3mop n PRO 102 Cb 0.47 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 3mop n PRO 102 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3mop n ASP 103 N 1.15 0.00 -3.56 2.55 2.03 -1.26 -4.66 116.55 112.79 3mop n ASP 103 Ca 0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 3mop n ASP 103 Cb 0.09 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 3mop n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mop n ALA 104 N -3.00 4.71 -3.53 -1.67 0.00 -1.26 -4.72 120.51 111.04 3mop n ALA 104 Ca 0.00 -3.34 -0.27 0.00 0.00 0.00 0.00 53.44 49.83 3mop n ALA 104 Cb 0.00 -3.49 -0.10 0.00 0.00 0.00 0.00 19.45 15.86 3mop n ALA 104 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3mop n VAL 105 N 5.19 -0.08 -0.41 0.00 0.24 -1.26 -4.94 118.33 117.07 3mop n VAL 105 Ca 0.53 -4.03 -0.15 0.00 -2.04 0.00 0.00 64.34 58.65 3mop n VAL 105 Cb 0.34 -1.87 0.14 0.00 -1.47 0.00 0.00 33.84 30.98 3mop n VAL 105 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3mop n PRO 106 N 2.31 -1.58 -3.52 7.34 -0.02 -1.26 -5.00 135.00 133.27 3mop n PRO 106 Ca 0.26 -0.71 -0.27 0.00 -2.02 0.00 0.00 63.50 60.77 3mop n PRO 106 Cb 0.44 -1.33 -0.10 0.00 -0.02 0.00 0.00 33.50 32.50 3mop n PRO 106 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3mop n LEU 107 N 0.00 1.26 0.00 2.45 4.77 -1.26 -5.11 117.00 119.11 3mop n LEU 107 Ca 0.07 -4.82 0.00 0.00 -0.03 0.00 0.00 56.01 51.22 3mop n LEU 107 Cb 0.29 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3mop n LEU 107 CO 0.19 1.89 0.00 -0.62 -1.33 0.00 0.00 177.39 177.52