#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 -0.85 3.19 -5.12 0.00 -1.26 -4.66 105.19 96.49 3mop n GLY 3 Ca 0.00 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.25 2.33 -1.68 1.61 -0.02 -1.26 -4.97 135.00 126.75 3mop n PRO 4 Ca -0.07 -2.53 -0.53 0.00 -2.02 0.00 0.00 63.50 58.35 3mop n PRO 4 Cb 0.25 -3.32 -0.06 0.00 -0.02 0.00 0.00 33.50 30.35 3mop n PRO 4 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3mop n ILE 5 N 6.17 0.34 -4.13 4.25 -6.64 -1.26 -4.97 119.36 113.12 3mop n ILE 5 Ca 0.49 -0.06 -0.11 0.00 -1.77 0.00 0.00 62.75 61.30 3mop n ILE 5 Cb 0.42 -1.43 -0.10 0.00 -1.44 0.00 0.00 39.64 37.09 3mop n ILE 5 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 3mop s THR 6 N 3.19 0.60 -1.46 7.28 -1.32 -1.26 -4.91 115.64 117.77 3mop s THR 6 Ca 0.93 -1.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.75 3mop s THR 6 Cb -0.90 -1.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.76 3mop s THR 6 CO 0.57 -0.74 0.10 -2.65 -2.21 0.00 0.00 174.62 169.69 3mop n PRO 7 N 0.43 0.14 -0.00 7.08 -0.02 -1.26 -1.59 135.00 139.78 3mop n PRO 7 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3mop n PRO 7 Cb 0.59 -1.04 -0.00 0.00 -0.02 0.00 0.00 33.50 33.03 3mop n PRO 7 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3mop n SER 8 N 0.00 4.16 -4.45 2.55 3.41 -1.26 -3.84 113.62 114.20 3mop n SER 8 Ca 0.00 -0.07 -0.29 0.00 -0.26 0.00 0.00 58.87 58.24 3mop n SER 8 Cb 0.02 1.02 0.17 0.00 -0.26 0.00 0.00 64.21 65.16 3mop n SER 8 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mop s THR 9 N -1.90 1.92 -0.05 6.66 -4.23 -0.62 -4.82 115.64 112.59 3mop s THR 9 Ca -0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 3mop s THR 9 Cb 0.00 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.05 3mop s THR 9 CO 0.02 0.00 0.31 -0.31 -0.54 0.00 0.00 174.62 174.10 3mop s TYR 10 N -3.34 3.66 0.06 3.99 2.02 -1.26 -1.59 117.35 120.90 3mop s TYR 10 Ca 0.67 0.81 -0.29 0.00 -0.37 0.00 0.00 57.07 57.89 3mop s TYR 10 Cb -0.12 -2.18 -0.14 0.00 -0.40 0.00 0.00 41.96 39.13 3mop s TYR 10 CO 0.54 0.64 1.44 0.28 -1.57 0.00 0.00 175.55 176.89 3mop h VAL 11 N 3.88 0.00 0.00 0.71 2.07 -1.56 -2.27 116.25 119.08 3mop h VAL 11 Ca -0.52 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3mop h VAL 11 Cb 1.22 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3mop h VAL 11 CO 0.61 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 176.09 3mop n ARG 12 N -4.87 0.00 -0.46 1.57 -4.01 -1.26 -0.46 116.66 107.17 3mop n ARG 12 Ca -0.10 0.00 0.09 0.00 -1.04 0.00 0.00 57.85 56.80 3mop n ARG 12 Cb 0.38 -1.38 0.31 0.00 -3.04 0.00 0.00 32.46 28.73 3mop n ARG 12 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3mop s LEU 14 N -1.40 4.27 0.10 0.00 1.43 0.40 -4.07 118.68 119.40 3mop s LEU 14 Ca 0.45 0.78 -0.35 0.00 -1.03 0.00 0.00 54.13 53.99 3mop s LEU 14 Cb 0.27 -2.66 -0.18 0.00 0.03 0.00 0.00 46.19 43.65 3mop s LEU 14 CO 0.26 0.01 0.94 -0.46 0.23 0.00 0.00 176.35 177.32 3mop n ASN 15 N 3.69 0.00 0.00 2.29 6.94 -1.26 -4.77 115.26 122.15 3mop n ASN 15 Ca -0.07 1.15 0.13 0.00 -0.02 0.00 0.00 54.58 55.76 3mop n ASN 15 Cb 0.52 -1.01 0.68 0.00 -2.36 0.00 0.00 39.78 37.61 3mop n ASN 15 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3mop n VAL 16 N 1.08 0.13 -0.05 3.53 0.31 -1.26 -2.12 118.33 119.95 3mop n VAL 16 Ca 0.18 0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.41 3mop n VAL 16 Cb 0.17 -0.61 -0.12 0.00 -0.91 0.00 0.00 33.84 32.37 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 4.21 0.01 1.70 2.92 0.00 -2.00 -3.31 103.07 106.60 3mop h GLY 17 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 3mop h GLY 17 CO 0.00 0.01 -0.29 0.17 0.00 0.00 0.00 176.54 176.43 3mop h LEU 18 N -0.83 0.36 0.18 3.11 8.10 -1.82 -3.11 115.31 121.28 3mop h LEU 18 Ca -0.00 -0.12 -0.01 0.00 0.11 0.00 0.00 57.88 57.86 3mop h LEU 18 Cb 0.85 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.97 3mop h LEU 18 CO 0.00 0.64 -0.08 0.40 -4.11 0.00 0.00 178.44 175.29 3mop h ILE 19 N 0.31 0.85 0.00 0.15 1.08 -1.58 0.32 117.51 118.64 3mop h ILE 19 Ca 0.04 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3mop h ILE 19 Cb 0.67 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 3mop h ILE 19 CO 0.05 0.02 0.00 -1.14 -0.69 0.00 0.00 178.15 176.39 3mop n ARG 20 N -5.17 0.00 -0.07 2.37 0.63 -1.18 0.32 116.66 113.56 3mop n ARG 20 Ca -0.09 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.68 3mop n ARG 20 Cb 0.14 -1.49 -0.05 0.00 0.45 0.00 0.00 32.46 31.51 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 -0.92 0.34 0.00 -0.14 4.81 -0.08 -4.23 118.16 117.94 3mop n LYS 21 Ca 0.00 0.15 0.09 0.00 -0.87 0.00 0.00 58.31 57.68 3mop n LYS 21 Cb 0.00 -1.07 0.53 0.00 0.02 0.00 0.00 35.03 34.51 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 -3.76 0.00 -0.04 3.14 -0.00 -0.18 -1.94 117.00 114.22 3mop n LEU 22 Ca -0.29 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.59 3mop n LEU 22 Cb 0.67 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 44.01 3mop n LEU 22 CO 0.03 0.00 0.58 -1.28 -0.00 0.00 0.00 177.39 176.72 3mop h SER 23 N 0.00 0.25 0.32 1.45 0.87 -0.32 -3.17 113.55 112.95 3mop h SER 23 Ca 0.00 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 3mop h SER 23 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3mop h SER 23 CO 0.00 0.73 0.00 -2.24 -0.53 0.00 0.00 176.83 174.79 3mop h ASP 24 N -0.22 0.00 0.00 6.23 3.04 -1.56 0.61 116.42 124.52 3mop h ASP 24 Ca 0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 3mop h ASP 24 Cb 0.68 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.97 3mop h ASP 24 CO 0.03 0.00 -0.02 -0.26 -2.04 0.00 0.00 179.24 176.95 3mop h PHE 25 N 0.00 0.00 0.00 4.15 0.04 -1.66 -3.39 116.94 116.08 3mop h PHE 25 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3mop h PHE 25 Cb 0.16 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 3mop h PHE 25 CO 0.00 0.00 -0.12 0.82 -0.60 0.00 0.00 178.31 178.41 3mop h ILE 26 N -0.71 0.42 -0.08 -0.55 1.08 -1.38 -3.33 117.51 112.95 3mop h ILE 26 Ca 0.00 -0.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.79 3mop h ILE 26 Cb 0.02 1.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.24 3mop h ILE 26 CO 0.00 0.12 0.01 0.44 -0.69 0.00 0.00 178.15 178.03 3mop h ASP 27 N 0.00 0.13 -3.67 1.72 5.19 0.02 -0.35 116.42 119.47 3mop h ASP 27 Ca -0.00 -0.27 -0.49 0.00 -0.62 0.00 0.00 57.03 55.64 3mop h ASP 27 Cb 0.47 -0.04 0.03 0.00 0.18 0.00 0.00 39.33 39.97 3mop h ASP 27 CO 0.02 0.37 0.14 -2.84 -3.12 0.00 0.00 179.24 173.80 3mop s PRO 28 N -5.12 3.60 -0.92 3.56 0.02 -1.25 -4.15 135.00 130.73 3mop s PRO 28 Ca -0.14 0.30 -0.03 0.00 0.02 0.00 0.00 61.00 61.15 3mop s PRO 28 Cb 0.05 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 32.22 3mop s PRO 28 CO 0.69 -0.20 0.44 1.04 -0.33 0.00 0.00 177.00 178.64 3mop n GLN 29 N -2.10 -3.37 -1.87 5.54 6.02 -1.26 -2.53 117.38 117.81 3mop n GLN 29 Ca 0.01 0.54 -0.12 0.00 -0.01 0.00 0.00 57.00 57.42 3mop n GLN 29 Cb 0.55 -4.65 -0.03 0.00 1.02 0.00 0.00 30.24 27.13 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 -2.84 -1.72 -0.32 -1.09 4.71 -1.26 -4.81 120.64 113.32 3mop n GLU 30 Ca -0.05 0.67 0.09 0.00 -0.01 0.00 0.00 57.16 57.86 3mop n GLU 30 Cb 0.57 -5.08 0.30 0.00 -1.01 0.00 0.00 31.44 26.22 3mop n GLU 30 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3mop h GLY 31 N 0.00 1.44 2.00 0.62 0.00 -1.30 -0.38 103.07 105.45 3mop h GLY 31 Ca -0.27 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.61 3mop h GLY 31 CO 0.36 0.14 -0.36 0.11 0.00 0.00 0.00 176.54 176.79 3mop h TRP 32 N 0.87 0.00 -0.48 5.60 5.08 -1.33 -2.49 115.95 123.20 3mop h TRP 32 Ca 0.47 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.44 3mop h TRP 32 Cb 0.56 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.70 3mop h TRP 32 CO -0.00 0.36 0.32 0.87 -1.28 0.00 0.00 178.44 178.70 3mop h LYS 33 N 0.00 0.63 -0.36 0.12 1.57 -1.38 1.41 116.57 118.55 3mop h LYS 33 Ca -0.00 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3mop h LYS 33 Cb 0.83 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3mop h LYS 33 CO 0.05 0.42 -0.14 0.87 -0.57 0.00 0.00 179.45 180.07 3mop h LYS 34 N 0.65 0.65 0.36 3.15 6.56 -1.40 -2.71 116.57 123.83 3mop h LYS 34 Ca 0.18 -0.21 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 3mop h LYS 34 Cb -0.07 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.54 3mop h LYS 34 CO -0.04 0.77 -0.17 1.25 -2.06 0.00 0.00 179.45 179.19 3mop h LEU 35 N 0.59 -0.41 -0.83 2.94 5.85 -0.92 -3.11 115.31 119.42 3mop h LEU 35 Ca 0.10 -0.13 0.18 0.00 0.84 0.00 0.00 57.88 58.87 3mop h LEU 35 Cb 0.58 0.11 -0.15 0.00 0.37 0.00 0.00 40.66 41.56 3mop h LEU 35 CO 0.04 -0.07 -0.10 0.00 -0.34 0.00 0.00 178.44 177.96 3mop h ALA 36 N -0.29 0.73 0.00 1.25 0.00 0.21 0.16 119.26 121.31 3mop h ALA 36 Ca -0.05 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3mop h ALA 36 Cb 0.52 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3mop h ALA 36 CO 0.08 -0.44 0.00 0.28 0.00 0.00 0.00 179.25 179.18 3mop h VAL 37 N 0.03 0.00 0.00 0.00 2.07 -1.60 -2.75 116.25 114.01 3mop h VAL 37 Ca 0.44 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3mop h VAL 37 Cb 0.75 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 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 2.20 1.00 -1.98 1.67 0.00 -0.63 -3.43 119.26 118.09 3mop h ALA 38 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3mop h ALA 38 Cb 0.84 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3mop h ALA 38 CO 0.00 0.00 0.85 0.42 0.00 0.00 0.00 179.25 180.52 3mop s ILE 39 N -3.17 4.50 -0.01 0.00 -1.09 -0.84 -5.02 121.20 115.57 3mop s ILE 39 Ca 0.09 1.74 0.04 0.00 -2.23 0.00 0.00 60.65 60.29 3mop s ILE 39 Cb 0.10 -4.36 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 3mop s ILE 39 CO 0.60 -0.41 -0.14 -0.54 -1.23 0.00 0.00 174.94 173.22 3mop s LYS 40 N 3.61 1.14 1.27 2.79 1.02 -1.26 -1.75 119.74 126.56 3mop s LYS 40 Ca 0.47 -0.49 -0.21 0.00 0.02 0.00 0.00 55.97 55.76 3mop s LYS 40 Cb -0.13 -1.09 0.32 0.00 -0.52 0.00 0.00 37.83 36.40 3mop s LYS 40 CO 0.14 0.28 1.09 0.15 -0.92 0.00 0.00 175.35 176.10 3mop s LYS 41 N -0.27 -1.79 0.30 1.68 -0.14 -1.07 -4.83 119.74 113.62 3mop s LYS 41 Ca 0.04 -0.17 0.08 0.00 -1.36 0.00 0.00 55.97 54.56 3mop s LYS 41 Cb -0.06 -1.54 0.46 0.00 -1.68 0.00 0.00 37.83 35.01 3mop s LYS 41 CO -0.00 -4.06 1.69 -1.35 -0.76 0.00 0.00 175.35 170.86 3mop h PRO 42 N -2.83 0.16 -0.84 -1.68 0.11 -2.01 -2.74 132.00 122.18 3mop h PRO 42 Ca -0.42 -0.08 0.16 0.00 0.11 0.00 0.00 66.00 65.77 3mop h PRO 42 Cb 1.29 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 3mop h PRO 42 CO 0.28 0.60 0.55 0.77 -0.21 0.00 0.00 178.00 179.99 3mop h SER 43 N 0.13 0.48 0.00 -2.05 0.02 -2.02 -3.45 113.55 106.66 3mop h SER 43 Ca 0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3mop h SER 43 Cb 0.87 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3mop h SER 43 CO 0.07 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.59 3mop n GLY 44 N -1.49 0.64 3.69 -3.77 0.00 -1.03 -5.10 105.19 98.12 3mop n GLY 44 Ca 0.17 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 1.40 -4.58 1.61 10.43 -1.26 -4.67 116.55 119.47 3mop n ASP 45 Ca 0.00 0.74 -0.50 0.00 2.57 0.00 0.00 54.79 57.60 3mop n ASP 45 Cb 0.00 -1.50 -0.05 0.00 1.84 0.00 0.00 41.12 41.41 3mop n ASP 45 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3mop n ASP 46 N -2.06 1.44 0.00 -2.24 2.03 -1.26 -2.58 116.55 111.88 3mop n ASP 46 Ca 0.15 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.59 3mop n ASP 46 Cb 0.49 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 3mop n ASP 46 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 3mop n ARG 47 N 2.06 0.00 -3.05 -0.67 3.00 -0.72 -4.68 116.66 112.61 3mop n ARG 47 Ca 0.16 0.31 -0.39 0.00 -0.00 0.00 0.00 57.85 57.93 3mop n ARG 47 Cb 0.22 -1.13 -0.05 0.00 0.00 0.00 0.00 32.46 31.50 3mop n ARG 47 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3mop s TYR 48 N -1.66 3.76 0.45 -0.14 2.02 -1.26 -4.97 117.35 115.55 3mop s TYR 48 Ca 0.00 1.43 0.07 0.00 -0.37 0.00 0.00 57.07 58.20 3mop s TYR 48 Cb 0.00 -2.74 -0.02 0.00 -0.40 0.00 0.00 41.96 38.80 3mop s TYR 48 CO 0.00 0.35 0.31 0.54 -1.57 0.00 0.00 175.55 175.18 3mop s ASN 49 N -0.34 4.71 0.24 2.29 2.20 -1.26 -4.82 114.94 117.96 3mop s ASN 49 Ca 0.36 -1.01 0.16 0.00 -0.94 0.00 0.00 52.86 51.43 3mop s ASN 49 Cb -0.20 -0.26 0.85 0.00 -2.00 0.00 0.00 41.25 39.63 3mop s ASN 49 CO 0.22 -0.74 0.93 1.67 -2.94 0.00 0.00 177.10 176.25 3mop n GLN 50 N -1.49 -0.03 0.03 3.55 7.27 -1.26 -0.81 117.38 124.64 3mop n GLN 50 Ca 0.00 0.78 -0.08 0.00 0.07 0.00 0.00 57.00 57.78 3mop n GLN 50 Cb 0.63 -1.47 -0.05 0.00 2.41 0.00 0.00 30.24 31.76 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 -0.16 -0.47 3.69 -1.00 -2.00 -3.17 116.94 113.83 3mop h PHE 51 Ca 0.51 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.38 3mop h PHE 51 Cb 1.52 0.05 -0.08 0.00 3.61 0.00 0.00 35.95 41.05 3mop h PHE 51 CO -0.00 0.18 -0.06 0.45 -1.61 0.00 0.00 178.31 177.27 3mop h HIS 52 N -0.98 -0.14 -0.75 -0.55 3.86 -1.34 -1.67 115.15 113.58 3mop h HIS 52 Ca -0.02 0.04 0.17 0.00 -1.16 0.00 0.00 60.37 59.40 3mop h HIS 52 Cb 0.42 0.14 -0.13 0.00 1.06 0.00 0.00 27.41 28.90 3mop h HIS 52 CO 0.07 -0.16 -0.01 0.82 0.86 0.00 0.00 177.93 179.52 3mop h ILE 53 N 0.05 0.34 -0.94 2.45 1.08 -1.46 0.92 117.51 119.95 3mop h ILE 53 Ca 0.23 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.69 3mop h ILE 53 Cb 0.35 0.24 -0.05 0.00 -3.07 0.00 0.00 36.82 34.28 3mop h ILE 53 CO -0.44 0.02 0.62 0.03 -0.69 0.00 0.00 178.15 177.69 3mop h ARG 54 N 0.09 1.18 0.08 2.37 2.47 -1.28 -1.98 114.38 117.33 3mop h ARG 54 Ca 0.40 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 59.07 3mop h ARG 54 Cb 0.70 -0.27 -0.05 0.00 -1.65 0.00 0.00 29.97 28.71 3mop h ARG 54 CO -0.67 0.78 -0.47 0.00 0.56 0.00 0.00 179.97 180.18 3mop h ARG 55 N 1.22 -0.65 -0.59 0.04 3.08 -0.53 -2.44 114.38 114.51 3mop h ARG 55 Ca 0.36 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.57 3mop h ARG 55 Cb -0.04 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.07 3mop h ARG 55 CO -0.10 -0.43 0.14 0.74 -1.07 0.00 0.00 179.97 179.24 3mop h PHE 56 N -0.68 0.22 -1.02 3.04 -1.00 -1.15 -1.45 116.94 114.91 3mop h PHE 56 Ca 0.02 0.03 0.29 0.00 2.81 0.00 0.00 57.97 61.13 3mop h PHE 56 Cb 0.71 -0.01 -0.13 0.00 3.61 0.00 0.00 35.95 40.13 3mop h PHE 56 CO -0.42 -0.01 0.60 0.93 -1.61 0.00 0.00 178.31 177.80 3mop h GLU 57 N 0.28 0.41 0.00 1.51 5.08 -0.92 0.50 114.58 121.44 3mop h GLU 57 Ca 0.31 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3mop h GLU 57 Cb 0.44 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3mop h GLU 57 CO -0.38 0.27 0.00 0.00 -1.00 0.00 0.00 179.01 177.90 3mop n ALA 58 N -2.32 2.24 0.13 3.43 0.00 -0.55 -2.33 120.51 121.11 3mop n ALA 58 Ca 0.30 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.65 3mop n ALA 58 Cb 0.90 -1.39 0.19 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.27 3.21 -0.03 0.00 4.77 0.17 -3.10 117.00 120.75 3mop n LEU 59 Ca 0.12 -1.63 -0.14 0.00 -0.03 0.00 0.00 56.01 54.33 3mop n LEU 59 Cb 0.19 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 3mop n LEU 59 CO 0.18 0.43 -0.79 0.18 -1.33 0.00 0.00 177.39 176.06 3mop n LEU 60 N 0.31 1.58 0.26 2.23 4.32 -0.98 -2.00 117.00 122.71 3mop n LEU 60 Ca 0.13 0.23 0.18 0.00 -0.02 0.00 0.00 56.01 56.53 3mop n LEU 60 Cb 0.69 -0.34 0.92 0.00 -1.62 0.00 0.00 43.42 43.07 3mop n LEU 60 CO 0.15 0.62 1.03 1.56 -1.22 0.00 0.00 177.39 179.53 3mop h GLN 61 N 0.02 0.00 0.00 3.23 4.20 -1.77 -2.68 115.11 118.11 3mop h GLN 61 Ca -0.40 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 3mop h GLN 61 Cb 2.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.82 3mop h GLN 61 CO 0.06 0.00 -1.98 0.25 -0.67 0.00 0.00 178.83 176.49 3mop n THR 62 N -2.75 0.05 -1.95 -0.54 -2.24 -1.25 -5.02 114.28 100.57 3mop n THR 62 Ca -0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3mop n THR 62 Cb 0.09 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 1.32 0.72 3.21 3.38 0.00 -1.01 -5.09 105.19 107.72 3mop n GLY 63 Ca -0.05 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.84 3.02 -0.66 1.61 1.02 -0.85 -5.05 119.74 115.00 3mop s LYS 64 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.82 3mop s LYS 64 Cb 0.00 -2.30 -0.14 0.00 -0.52 0.00 0.00 37.83 34.88 3mop s LYS 64 CO 0.00 0.16 2.47 0.45 -0.92 0.00 0.00 175.35 177.51 3mop n SER 65 N 3.58 1.47 0.00 2.83 2.88 -1.26 -4.68 113.62 118.43 3mop n SER 65 Ca -0.19 -0.03 0.09 0.00 -1.33 0.00 0.00 58.87 57.41 3mop n SER 65 Cb 0.53 -1.25 0.41 0.00 -0.75 0.00 0.00 64.21 63.15 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 8.61 0.08 0.13 -1.46 -0.04 -1.26 -0.66 135.00 140.40 3mop n PRO 66 Ca 0.49 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.99 3mop n PRO 66 Cb 0.27 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 3mop n PRO 66 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3mop h THR 67 N 0.00 0.55 0.94 0.52 2.02 -1.91 -2.62 112.91 112.42 3mop h THR 67 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3mop h THR 67 Cb 0.27 0.55 0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3mop h THR 67 CO 0.00 0.00 -0.45 0.28 0.37 0.00 0.00 175.52 175.72 3mop h SER 68 N -0.42 -1.07 0.00 4.18 0.02 -1.24 0.35 113.55 115.37 3mop h SER 68 Ca 0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3mop h SER 68 Cb 0.41 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3mop h SER 68 CO -0.08 -0.74 0.20 -0.08 -1.14 0.00 0.00 176.83 174.99 3mop h GLU 69 N -1.33 0.00 0.06 3.45 4.57 -1.25 0.60 114.58 120.68 3mop h GLU 69 Ca -0.13 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.68 3mop h GLU 69 Cb 0.97 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.52 3mop h GLU 69 CO 0.21 0.00 -2.19 -0.11 -1.18 0.00 0.00 179.01 175.74 3mop n LEU 70 N -2.82 2.71 0.37 1.64 0.00 -0.99 -3.36 117.00 114.56 3mop n LEU 70 Ca -0.02 0.08 -0.18 0.00 0.00 0.00 0.00 56.01 55.89 3mop n LEU 70 Cb 0.25 -1.01 -0.09 0.00 0.00 0.00 0.00 43.42 42.57 3mop n LEU 70 CO 0.14 0.85 0.61 -0.07 0.00 0.00 0.00 177.39 178.93 3mop h LEU 71 N -0.06 -0.78 -0.29 -1.96 3.38 0.36 0.15 115.31 116.10 3mop h LEU 71 Ca -0.50 0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.55 3mop h LEU 71 Cb 1.92 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 42.80 3mop h LEU 71 CO -0.02 -0.53 -0.31 0.15 0.09 0.00 0.00 178.44 177.82 3mop h PHE 72 N -0.97 -0.85 -0.58 1.13 3.57 -0.24 -2.16 116.94 116.85 3mop h PHE 72 Ca -0.09 0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.57 3mop h PHE 72 Cb 0.72 0.42 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 3mop h PHE 72 CO -0.02 -0.37 0.39 0.22 -2.23 0.00 0.00 178.31 176.30 3mop h ASP 73 N -0.29 0.27 -0.30 0.41 -0.00 -1.51 0.57 116.42 115.57 3mop h ASP 73 Ca 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.18 3mop h ASP 73 Cb 0.53 -0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.81 3mop h ASP 73 CO -0.46 0.16 0.00 1.87 -0.00 0.00 0.00 179.24 180.81 3mop n TRP 74 N -4.45 0.39 0.13 0.28 -0.00 0.49 -3.72 117.44 110.55 3mop n TRP 74 Ca 0.10 -0.19 0.01 0.00 -0.00 0.00 0.00 57.50 57.42 3mop n TRP 74 Cb 0.44 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.76 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 4.86 0.00 -1.82 5.87 0.00 0.80 -3.28 103.07 109.51 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 -3.25 0.42 -2.29 4.70 -2.24 -1.20 -0.70 114.28 109.71 3mop n THR 76 Ca 0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 3mop n THR 76 Cb 0.76 -0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 3mop n THR 76 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3mop n THR 77 N 0.65 0.01 0.00 4.28 -2.24 -1.24 -5.03 114.28 110.72 3mop n THR 77 Ca 0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3mop n THR 77 Cb 0.23 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3mop n THR 77 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3mop n ASN 78 N 0.27 0.00 0.00 3.42 3.02 0.13 -4.86 115.26 117.24 3mop n ASN 78 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3mop n ASN 78 Cb 0.96 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.13 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 3.29 0.61 0.00 -4.23 -1.26 -2.59 115.64 111.45 3mop s THR 80 Ca 0.00 0.83 0.27 0.00 -1.18 0.00 0.00 61.69 61.61 3mop s THR 80 Cb 0.00 -3.35 0.37 0.00 1.34 0.00 0.00 72.50 70.86 3mop s THR 80 CO 0.00 -0.15 1.64 0.58 -0.54 0.00 0.00 174.62 176.15 3mop h VAL 81 N 1.38 0.18 0.03 2.29 2.07 -1.56 0.17 116.25 120.81 3mop h VAL 81 Ca -0.50 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 3mop h VAL 81 Cb 1.25 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3mop h VAL 81 CO 0.58 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 179.38 3mop h GLY 82 N 0.00 -0.04 -1.10 2.17 0.00 -1.83 -2.48 103.07 99.79 3mop h GLY 82 Ca 0.30 0.02 0.33 0.00 0.00 0.00 0.00 47.33 47.98 3mop h GLY 82 CO -0.00 -0.02 0.77 1.22 0.00 0.00 0.00 176.54 178.51 3mop n ASP 83 N -2.12 0.04 0.06 0.19 8.00 0.55 -0.49 116.55 122.78 3mop n ASP 83 Ca -0.01 0.69 -0.07 0.00 0.71 0.00 0.00 54.79 56.12 3mop n ASP 83 Cb 0.02 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.21 -0.01 0.64 5.85 -1.11 -2.97 115.31 117.51 3mop h LEU 84 Ca 0.57 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 59.13 3mop h LEU 84 Cb 2.14 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 43.22 3mop h LEU 84 CO -0.10 0.32 0.00 -0.37 -0.34 0.00 0.00 178.44 177.95 3mop h VAL 85 N -1.02 1.08 -0.04 1.05 -1.51 -0.34 0.68 116.25 116.15 3mop h VAL 85 Ca -0.03 -0.24 0.01 0.00 -1.23 0.00 0.00 66.70 65.22 3mop h VAL 85 Cb 0.35 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3mop h VAL 85 CO 0.04 0.06 0.43 0.44 -1.23 0.00 0.00 177.57 177.31 3mop h ASP 86 N -0.09 0.00 0.00 4.19 5.19 -1.07 1.53 116.42 126.17 3mop h ASP 86 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3mop h ASP 86 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 3mop h ASP 86 CO -0.00 0.00 -1.75 -0.11 -3.12 0.00 0.00 179.24 174.26 3mop n LEU 87 N -2.91 0.05 -0.01 1.55 0.00 -0.79 -3.29 117.00 111.60 3mop n LEU 87 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 56.01 55.88 3mop n LEU 87 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.83 3mop n LEU 87 CO 0.13 0.01 0.32 -0.07 0.00 0.00 0.00 177.39 177.78 3mop h LEU 88 N 0.00 -0.09 0.41 -1.96 3.38 0.70 -3.08 115.31 114.67 3mop h LEU 88 Ca 0.00 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3mop h LEU 88 Cb 0.78 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3mop h LEU 88 CO 0.00 0.59 -0.41 0.16 0.09 0.00 0.00 178.44 178.86 3mop h ILE 89 N -0.92 0.00 0.00 1.22 3.07 0.15 0.72 117.51 121.75 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 0.56 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.11 3mop h ILE 89 CO 0.02 0.00 0.43 -0.61 -1.05 0.00 0.00 178.15 176.94 3mop h GLN 90 N -0.83 0.00 -0.31 0.16 -0.00 -1.70 1.95 115.11 114.38 3mop h GLN 90 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3mop h GLN 90 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.20 3mop h GLN 90 CO -0.05 0.00 0.00 -1.71 0.00 0.00 0.00 178.83 177.07 3mop n ASN 91 N -2.40 2.92 -0.37 -0.69 2.85 -0.98 -4.98 115.26 111.61 3mop n ASN 91 Ca -0.01 -2.09 -0.04 0.00 -0.11 0.00 0.00 54.58 52.32 3mop n ASN 91 Cb 0.46 -0.24 -0.01 0.00 1.24 0.00 0.00 39.78 41.22 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 0.32 -0.31 -2.85 1.20 -0.58 0.66 -4.96 120.64 114.13 3mop n GLU 92 Ca 0.11 0.52 -0.43 0.00 -0.42 0.00 0.00 57.16 56.94 3mop n GLU 92 Cb 0.45 -4.21 0.01 0.00 -0.57 0.00 0.00 31.44 27.12 3mop n GLU 92 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3mop n PHE 93 N -3.21 2.69 0.02 -0.32 0.99 0.24 -4.80 117.46 113.08 3mop n PHE 93 Ca -0.04 -2.74 -0.15 0.00 -0.00 0.00 0.00 57.45 54.51 3mop n PHE 93 Cb 0.26 -1.49 -0.05 0.00 -1.00 0.00 0.00 39.48 37.20 3mop n PHE 93 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 3mop h PHE 94 N 5.64 0.87 -0.61 1.38 0.04 -1.88 -2.91 116.94 119.47 3mop h PHE 94 Ca 0.25 -0.41 -0.03 0.00 2.80 0.00 0.00 57.97 60.58 3mop h PHE 94 Cb 0.64 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 3mop h PHE 94 CO 1.06 1.23 0.27 0.00 -0.60 0.00 0.00 178.31 180.27 3mop h ALA 95 N 0.65 0.79 -0.09 2.45 0.00 -1.97 0.11 119.26 121.20 3mop h ALA 95 Ca -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3mop h ALA 95 Cb 1.46 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3mop h ALA 95 CO 0.16 0.38 -0.04 -1.35 0.00 0.00 0.00 179.25 178.40 3mop h PRO 96 N 0.84 0.19 -0.02 0.00 0.11 -1.97 -3.11 132.00 128.05 3mop h PRO 96 Ca 0.21 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3mop h PRO 96 Cb 0.17 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 3mop h PRO 96 CO -0.02 0.55 0.03 0.00 -0.21 0.00 0.00 178.00 178.34 3mop h ALA 97 N 0.64 1.40 -0.21 -0.75 0.00 -1.42 0.11 119.26 119.03 3mop h ALA 97 Ca 0.02 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3mop h ALA 97 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mop h ALA 97 CO 0.01 -0.03 -0.55 0.66 0.00 0.00 0.00 179.25 179.34 3mop h SER 98 N 0.00 0.72 -0.52 0.00 4.64 -0.96 -2.61 113.55 114.82 3mop h SER 98 Ca 0.01 -0.39 -0.09 0.00 -0.47 0.00 0.00 61.79 60.85 3mop h SER 98 Cb 0.06 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3mop h SER 98 CO -0.00 1.12 -0.03 0.25 -0.87 0.00 0.00 176.83 177.31 3mop h LEU 99 N 0.49 0.92 0.00 5.97 5.85 -0.73 -2.91 115.31 124.91 3mop h LEU 99 Ca 0.01 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3mop h LEU 99 Cb 1.12 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3mop h LEU 99 CO 0.11 1.02 0.00 0.18 -0.34 0.00 0.00 178.44 179.41 3mop n LEU 100 N -4.27 0.00 -3.63 2.25 4.77 -0.87 -4.77 117.00 110.50 3mop n LEU 100 Ca 0.01 0.65 -0.27 0.00 -0.03 0.00 0.00 56.01 56.37 3mop n LEU 100 Cb 0.34 -0.15 -0.17 0.00 -2.33 0.00 0.00 43.42 41.12 3mop n LEU 100 CO 0.43 -0.15 -0.34 -1.48 -1.33 0.00 0.00 177.39 174.53 3mop s LEU 101 N -2.09 0.56 0.00 2.23 2.34 -0.99 -4.94 118.68 115.79 3mop s LEU 101 Ca 0.00 -0.76 0.00 0.00 0.06 0.00 0.00 54.13 53.43 3mop s LEU 101 Cb 0.00 -0.33 0.00 0.00 -0.56 0.00 0.00 46.19 45.30 3mop s LEU 101 CO 0.00 -0.36 0.00 -0.81 -1.06 0.00 0.00 176.35 174.12 3mop n PRO 102 N 5.22 0.00 0.00 1.48 -0.04 -1.10 -4.22 135.00 136.34 3mop n PRO 102 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 3mop n PRO 102 Cb 0.48 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 3mop n PRO 102 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3mop n ASP 103 N 0.88 0.00 -3.53 3.54 8.00 -1.26 -4.65 116.55 119.53 3mop n ASP 103 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 3mop n ASP 103 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3mop n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mop n ALA 104 N -3.00 4.62 -3.59 2.24 0.00 -1.26 -4.74 120.51 114.78 3mop n ALA 104 Ca 0.00 -3.22 -0.27 0.00 0.00 0.00 0.00 53.44 49.95 3mop n ALA 104 Cb 0.00 -3.46 -0.10 0.00 0.00 0.00 0.00 19.45 15.89 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 5.15 0.71 -0.12 0.00 0.24 -1.26 -4.93 118.33 118.12 3mop n VAL 105 Ca 0.52 -4.44 -0.12 0.00 -2.04 0.00 0.00 64.34 58.27 3mop n VAL 105 Cb 0.33 -2.00 0.11 0.00 -1.47 0.00 0.00 33.84 30.81 3mop n VAL 105 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3mop n PRO 106 N 1.93 -2.73 -3.38 7.34 -0.04 -1.26 -4.99 135.00 131.87 3mop n PRO 106 Ca 0.25 -0.56 -0.26 0.00 -0.04 0.00 0.00 63.50 62.88 3mop n PRO 106 Cb 0.42 -0.78 -0.08 0.00 -0.04 0.00 0.00 33.50 33.02 3mop n PRO 106 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 3mop n LEU 107 N 0.00 1.66 0.00 1.53 -0.00 -1.26 -5.12 117.00 113.82 3mop n LEU 107 Ca 0.05 -4.97 0.00 0.00 -0.00 0.00 0.00 56.01 51.09 3mop n LEU 107 Cb 0.23 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 3mop n LEU 107 CO 0.15 2.00 0.00 -0.62 -0.00 0.00 0.00 177.39 178.92