#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 -0.95 3.14 3.03 0.00 -1.26 -4.63 105.19 104.53 3mop n GLY 3 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 3mop n GLY 3 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mop n PRO 4 N -4.59 3.04 -1.68 1.61 -0.04 -1.26 -4.97 135.00 127.10 3mop n PRO 4 Ca -0.10 -2.96 -0.50 0.00 -0.04 0.00 0.00 63.50 59.90 3mop n PRO 4 Cb 0.32 -3.38 -0.05 0.00 -0.04 0.00 0.00 33.50 30.35 3mop n PRO 4 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3mop n ILE 5 N 5.66 0.43 -4.10 0.52 5.41 -1.26 -4.97 119.36 121.04 3mop n ILE 5 Ca 0.50 -0.08 -0.08 0.00 1.00 0.00 0.00 62.75 64.10 3mop n ILE 5 Cb 0.42 -1.65 -0.10 0.00 -0.71 0.00 0.00 39.64 37.60 3mop n ILE 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3mop s THR 6 N 3.43 0.19 -1.38 1.39 -4.23 -1.26 -4.91 115.64 108.88 3mop s THR 6 Ca 0.92 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 3mop s THR 6 Cb -0.78 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 71.42 3mop s THR 6 CO 0.53 -0.87 0.11 -0.81 -0.54 0.00 0.00 174.62 173.04 3mop n PRO 7 N 0.06 0.16 -0.00 3.99 -0.04 -1.26 -1.35 135.00 136.55 3mop n PRO 7 Ca -0.12 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.35 3mop n PRO 7 Cb 0.62 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 33.02 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 0.07 3.56 -4.45 3.54 7.64 -1.26 -3.79 113.62 118.93 3mop n SER 8 Ca 0.00 -0.13 -0.29 0.00 1.01 0.00 0.00 58.87 59.46 3mop n SER 8 Cb 0.02 1.04 0.18 0.00 -1.01 0.00 0.00 64.21 64.44 3mop n SER 8 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mop s THR 9 N -1.84 1.90 -0.12 0.44 2.01 -0.46 -4.83 115.64 112.76 3mop s THR 9 Ca -0.00 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 3mop s THR 9 Cb 0.01 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 3mop s THR 9 CO 0.05 0.00 0.23 -0.31 -0.69 0.00 0.00 174.62 173.89 3mop s TYR 10 N -3.21 3.57 0.07 4.92 2.02 -1.26 -1.52 117.35 121.94 3mop s TYR 10 Ca 0.67 0.61 -0.27 0.00 -0.37 0.00 0.00 57.07 57.71 3mop s TYR 10 Cb -0.13 -2.13 -0.13 0.00 -0.40 0.00 0.00 41.96 39.17 3mop s TYR 10 CO 0.55 0.54 1.43 0.28 -1.57 0.00 0.00 175.55 176.78 3mop h VAL 11 N 4.18 0.00 0.00 0.71 2.07 -1.58 -2.75 116.25 118.88 3mop h VAL 11 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3mop h VAL 11 Cb 1.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3mop h VAL 11 CO 0.65 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 176.13 3mop n ARG 12 N -4.78 0.00 -0.64 1.57 -4.01 -1.26 -1.26 116.66 106.27 3mop n ARG 12 Ca -0.08 0.00 0.09 0.00 -1.04 0.00 0.00 57.85 56.82 3mop n ARG 12 Cb 0.34 -1.34 0.36 0.00 -3.04 0.00 0.00 32.46 28.79 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 -1.88 4.29 0.05 0.00 1.02 -0.39 -4.16 118.68 117.61 3mop s LEU 14 Ca 0.52 0.91 -0.37 0.00 0.02 0.00 0.00 54.13 55.20 3mop s LEU 14 Cb 0.34 -2.79 -0.19 0.00 0.02 0.00 0.00 46.19 43.57 3mop s LEU 14 CO 0.24 -0.02 1.00 0.59 0.02 0.00 0.00 176.35 178.18 3mop n ASN 15 N 3.68 -0.01 0.21 2.29 4.13 -1.26 -4.78 115.26 119.53 3mop n ASN 15 Ca -0.06 1.15 0.15 0.00 1.68 0.00 0.00 54.58 57.50 3mop n ASN 15 Cb 0.52 -0.96 0.70 0.00 -1.54 0.00 0.00 39.78 38.49 3mop n ASN 15 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 3mop h VAL 16 N 2.67 0.00 0.03 2.41 3.04 -2.00 -2.18 116.25 120.22 3mop h VAL 16 Ca -0.46 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.03 3mop h VAL 16 Cb 1.42 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 3mop h VAL 16 CO 0.65 0.00 -0.01 1.23 -1.01 0.00 0.00 177.57 178.43 3mop h GLY 17 N 1.19 -0.04 1.56 3.17 0.00 -1.99 -3.28 103.07 103.68 3mop h GLY 17 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 3mop h GLY 17 CO 0.00 -0.01 -0.09 -2.00 0.00 0.00 0.00 176.54 174.44 3mop h LEU 18 N -0.70 0.52 -0.03 3.11 5.85 -1.81 -3.07 115.31 119.17 3mop h LEU 18 Ca -0.00 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3mop h LEU 18 Cb 0.64 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3mop h LEU 18 CO 0.01 0.65 0.01 -0.29 -0.34 0.00 0.00 178.44 178.47 3mop h ILE 19 N 0.50 1.21 0.00 4.05 2.10 -1.55 -0.44 117.51 123.38 3mop h ILE 19 Ca 0.10 -0.64 0.00 0.00 1.08 0.00 0.00 64.86 65.40 3mop h ILE 19 Cb 0.46 1.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 3mop h ILE 19 CO 0.03 0.17 0.00 -1.14 -1.08 0.00 0.00 178.15 176.13 3mop n ARG 20 N -4.93 0.00 -0.07 2.19 0.63 -1.16 0.16 116.66 113.48 3mop n ARG 20 Ca -0.07 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.70 3mop n ARG 20 Cb 0.16 -1.37 -0.05 0.00 0.45 0.00 0.00 32.46 31.64 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 -0.80 0.31 0.00 -0.14 4.81 -0.30 -4.29 118.16 117.75 3mop n LYS 21 Ca 0.00 0.13 0.12 0.00 -0.87 0.00 0.00 58.31 57.69 3mop n LYS 21 Cb 0.00 -1.02 0.70 0.00 0.02 0.00 0.00 35.03 34.73 3mop n LYS 21 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3mop n LEU 22 N -3.63 0.00 0.02 3.14 0.00 -0.45 -1.94 117.00 114.14 3mop n LEU 22 Ca -0.28 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.60 3mop n LEU 22 Cb 0.70 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 44.04 3mop n LEU 22 CO 0.02 0.00 0.72 -1.28 0.00 0.00 0.00 177.39 176.85 3mop h SER 23 N 0.00 -0.03 0.44 1.96 0.87 -0.47 -3.13 113.55 113.19 3mop h SER 23 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 3mop h SER 23 Cb 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3mop h SER 23 CO 0.00 0.26 0.00 0.47 -0.53 0.00 0.00 176.83 177.03 3mop n ASP 24 N -4.97 0.64 -0.03 6.23 10.43 -0.82 0.81 116.55 128.83 3mop n ASP 24 Ca -0.08 0.71 -0.00 0.00 2.57 0.00 0.00 54.79 57.98 3mop n ASP 24 Cb 0.17 -0.82 -0.00 0.00 1.84 0.00 0.00 41.12 42.30 3mop n ASP 24 CO 0.00 0.00 0.00 -0.26 -1.07 0.00 0.00 177.20 175.87 3mop h PHE 25 N 0.00 -0.03 0.00 1.24 0.04 -1.65 -3.40 116.94 113.15 3mop h PHE 25 Ca 0.00 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 3mop h PHE 25 Cb 0.22 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3mop h PHE 25 CO 0.00 -0.02 -0.26 0.82 -0.60 0.00 0.00 178.31 178.25 3mop h ILE 26 N -0.86 0.88 -0.44 -0.55 1.08 -1.33 -3.34 117.51 112.95 3mop h ILE 26 Ca -0.00 -1.02 -0.03 0.00 -0.39 0.00 0.00 64.86 63.42 3mop h ILE 26 Cb 0.02 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 3mop h ILE 26 CO 0.01 0.26 0.17 -0.78 -0.69 0.00 0.00 178.15 177.11 3mop h ASP 27 N 0.00 0.62 -2.63 1.72 -0.00 0.20 -0.37 116.42 115.95 3mop h ASP 27 Ca -0.00 -0.18 -0.46 0.00 -0.00 0.00 0.00 57.03 56.39 3mop h ASP 27 Cb 0.59 -0.16 0.02 0.00 -0.00 0.00 0.00 39.33 39.77 3mop h ASP 27 CO 0.03 0.63 -0.16 -2.16 -0.00 0.00 0.00 179.24 177.59 3mop s PRO 28 N -5.52 3.20 -1.21 0.28 0.04 -1.25 -4.23 135.00 126.30 3mop s PRO 28 Ca -0.13 -0.52 -0.07 0.00 0.04 0.00 0.00 61.00 60.32 3mop s PRO 28 Cb 0.11 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 32.03 3mop s PRO 28 CO 0.76 -0.10 1.06 0.94 0.04 0.00 0.00 177.00 179.70 3mop n GLN 29 N -1.93 -7.10 -2.18 4.56 7.27 -1.26 -2.48 117.38 114.26 3mop n GLN 29 Ca -0.01 0.75 -0.07 0.00 0.07 0.00 0.00 57.00 57.75 3mop n GLN 29 Cb 0.57 -5.56 -0.01 0.00 2.41 0.00 0.00 30.24 27.65 3mop n GLN 29 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3mop n GLU 30 N -4.50 -2.23 -0.26 3.69 -0.58 -1.26 -4.80 120.64 110.69 3mop n GLU 30 Ca -0.02 0.36 0.12 0.00 -0.42 0.00 0.00 57.16 57.20 3mop n GLU 30 Cb 0.57 -4.82 0.39 0.00 -0.57 0.00 0.00 31.44 27.01 3mop n GLU 30 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3mop h GLY 31 N 0.00 1.17 2.00 0.62 0.00 -1.25 0.48 103.07 106.09 3mop h GLY 31 Ca -0.16 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 3mop h GLY 31 CO 0.20 0.09 -0.43 0.11 0.00 0.00 0.00 176.54 176.51 3mop h TRP 32 N 0.67 0.00 -0.69 5.60 5.08 -1.34 -2.59 115.95 122.68 3mop h TRP 32 Ca 0.44 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.41 3mop h TRP 32 Cb 0.73 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.86 3mop h TRP 32 CO -0.00 0.43 0.40 0.87 -1.28 0.00 0.00 178.44 178.86 3mop h LYS 33 N 0.00 0.95 -0.89 0.12 1.57 -1.21 1.18 116.57 118.29 3mop h LYS 33 Ca -0.00 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3mop h LYS 33 Cb 1.03 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 3mop h LYS 33 CO 0.06 0.69 0.49 0.87 -0.57 0.00 0.00 179.45 180.99 3mop h LYS 34 N 0.95 1.24 -0.04 3.15 1.57 -1.32 -2.80 116.57 119.33 3mop h LYS 34 Ca 0.25 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3mop h LYS 34 Cb -0.00 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.06 3mop h LYS 34 CO -0.04 0.90 -0.10 1.25 -0.57 0.00 0.00 179.45 180.89 3mop h LEU 35 N 1.25 0.16 -0.68 2.94 5.85 -0.81 -3.13 115.31 120.89 3mop h LEU 35 Ca 0.32 -0.60 0.14 0.00 0.84 0.00 0.00 57.88 58.57 3mop h LEU 35 Cb 0.02 -0.05 -0.13 0.00 0.37 0.00 0.00 40.66 40.87 3mop h LEU 35 CO -0.05 0.73 -0.19 0.00 -0.34 0.00 0.00 178.44 178.59 3mop h ALA 36 N 0.43 0.41 0.00 1.25 0.00 0.16 0.13 119.26 121.64 3mop h ALA 36 Ca -0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3mop h ALA 36 Cb 0.71 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3mop h ALA 36 CO 0.02 -0.44 0.00 1.33 0.00 0.00 0.00 179.25 180.16 3mop n VAL 37 N -5.46 0.63 0.30 0.00 0.24 -1.10 -2.30 118.33 110.64 3mop n VAL 37 Ca 0.08 -0.16 0.14 0.00 -2.04 0.00 0.00 64.34 62.36 3mop n VAL 37 Cb 0.36 -0.71 0.39 0.00 -1.47 0.00 0.00 33.84 32.41 3mop n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mop h ALA 38 N 2.48 1.00 -1.89 2.33 0.00 -0.70 -3.43 119.26 119.05 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 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 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 -3.35 4.42 -0.03 0.00 1.01 -0.76 -5.01 121.20 117.48 3mop s ILE 39 Ca 0.05 1.54 0.05 0.00 0.00 0.00 0.00 60.65 62.29 3mop s ILE 39 Cb 0.07 -4.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 3mop s ILE 39 CO 0.60 -0.64 -0.18 -0.54 0.00 0.00 0.00 174.94 174.17 3mop s LYS 40 N 3.88 1.66 1.41 2.79 1.02 -1.26 -1.79 119.74 127.44 3mop s LYS 40 Ca 0.46 -0.65 -0.22 0.00 0.02 0.00 0.00 55.97 55.58 3mop s LYS 40 Cb -0.11 -1.52 0.36 0.00 -0.52 0.00 0.00 37.83 36.05 3mop s LYS 40 CO 0.20 0.33 0.87 1.63 -0.92 0.00 0.00 175.35 177.46 3mop n LYS 41 N 2.85 -4.37 0.08 1.68 5.02 -1.01 -4.83 118.16 117.58 3mop n LYS 41 Ca -0.16 -1.29 -0.06 0.00 -2.02 0.00 0.00 58.31 54.77 3mop n LYS 41 Cb 0.53 -1.94 0.08 0.00 -0.02 0.00 0.00 35.03 33.68 3mop n LYS 41 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3mop h PRO 42 N -3.45 0.22 -0.83 1.97 0.13 -2.01 -2.86 132.00 125.17 3mop h PRO 42 Ca -0.44 -0.18 0.17 0.00 -0.87 0.00 0.00 66.00 64.68 3mop h PRO 42 Cb 1.31 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 3mop h PRO 42 CO 0.29 0.83 0.55 0.77 -0.23 0.00 0.00 178.00 180.21 3mop h SER 43 N 0.15 0.44 0.00 1.44 0.02 -2.02 -3.45 113.55 110.13 3mop h SER 43 Ca -0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3mop h SER 43 Cb 1.24 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3mop h SER 43 CO 0.11 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.62 3mop n GLY 44 N -1.51 0.52 3.67 -3.77 0.00 -1.08 -5.10 105.19 97.92 3mop n GLY 44 Ca 0.17 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 1.46 -4.59 1.61 10.43 -1.26 -4.66 116.55 119.54 3mop n ASP 45 Ca 0.00 0.82 -0.49 0.00 2.57 0.00 0.00 54.79 57.69 3mop n ASP 45 Cb 0.00 -1.48 -0.04 0.00 1.84 0.00 0.00 41.12 41.44 3mop n ASP 45 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3mop n ASP 46 N -1.31 1.58 0.00 -2.24 9.92 -1.26 -2.41 116.55 120.82 3mop n ASP 46 Ca 0.15 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.54 3mop n ASP 46 Cb 0.48 -1.23 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 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 2.00 0.00 -3.12 -1.24 3.00 -0.74 -4.67 116.66 111.89 3mop n ARG 47 Ca 0.16 0.23 -0.39 0.00 -0.00 0.00 0.00 57.85 57.84 3mop n ARG 47 Cb 0.24 -1.08 -0.05 0.00 0.00 0.00 0.00 32.46 31.56 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 -1.49 3.73 0.53 -0.14 2.02 -1.26 -4.96 117.35 115.77 3mop s TYR 48 Ca 0.00 1.33 0.03 0.00 -0.37 0.00 0.00 57.07 58.06 3mop s TYR 48 Cb 0.00 -2.68 0.02 0.00 -0.40 0.00 0.00 41.96 38.90 3mop s TYR 48 CO 0.00 0.36 0.23 0.54 -1.57 0.00 0.00 175.55 175.10 3mop s ASN 49 N -0.28 4.41 0.29 2.29 4.22 -1.26 -4.80 114.94 119.81 3mop s ASN 49 Ca 0.34 -1.43 0.20 0.00 -2.14 0.00 0.00 52.86 49.83 3mop s ASN 49 Cb -0.19 0.48 1.00 0.00 1.28 0.00 0.00 41.25 43.82 3mop s ASN 49 CO 0.20 -1.00 1.08 1.67 -2.04 0.00 0.00 177.10 177.01 3mop n GLN 50 N -1.55 -0.03 -0.00 3.55 7.27 -1.26 -0.65 117.38 124.71 3mop n GLN 50 Ca -0.10 0.89 -0.19 0.00 0.07 0.00 0.00 57.00 57.67 3mop n GLN 50 Cb 0.65 -1.71 -0.14 0.00 2.41 0.00 0.00 30.24 31.46 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 0.35 -0.34 3.69 0.04 -2.00 -3.16 116.94 115.52 3mop h PHE 51 Ca 0.60 -0.26 0.07 0.00 2.80 0.00 0.00 57.97 61.19 3mop h PHE 51 Cb 1.85 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 39.91 3mop h PHE 51 CO -0.00 1.33 -0.16 0.45 -0.60 0.00 0.00 178.31 179.33 3mop h HIS 52 N -0.54 -0.39 -0.82 -0.55 3.86 -1.25 -2.37 115.15 113.09 3mop h HIS 52 Ca -0.18 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.08 3mop h HIS 52 Cb 1.51 0.22 -0.04 0.00 1.06 0.00 0.00 27.41 30.17 3mop h HIS 52 CO 0.18 -0.23 0.54 0.82 0.86 0.00 0.00 177.93 180.10 3mop h ILE 53 N -0.10 1.21 -0.17 2.45 1.08 -1.52 -0.21 117.51 120.25 3mop h ILE 53 Ca 0.17 -0.39 -0.06 0.00 -0.39 0.00 0.00 64.86 64.19 3mop h ILE 53 Cb 0.37 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.11 3mop h ILE 53 CO -0.41 0.21 -0.16 0.03 -0.69 0.00 0.00 178.15 177.13 3mop h ARG 54 N 1.11 0.28 -0.06 2.37 2.47 -1.40 -2.07 114.38 117.10 3mop h ARG 54 Ca 0.30 -0.07 0.04 0.00 -1.26 0.00 0.00 59.98 58.98 3mop h ARG 54 Cb -0.12 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.10 3mop h ARG 54 CO -0.06 0.44 -0.35 0.00 0.56 0.00 0.00 179.97 180.56 3mop h ARG 55 N 0.27 -0.45 -0.69 0.04 2.47 -0.62 -2.51 114.38 112.88 3mop h ARG 55 Ca 0.05 0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.87 3mop h ARG 55 Cb 0.44 0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.80 3mop h ARG 55 CO 0.03 -0.30 0.37 0.74 0.56 0.00 0.00 179.97 181.37 3mop h PHE 56 N -0.47 0.68 -1.03 3.04 -1.00 -1.20 -0.84 116.94 116.11 3mop h PHE 56 Ca 0.07 0.03 0.28 0.00 2.81 0.00 0.00 57.97 61.16 3mop h PHE 56 Cb 0.58 -0.20 -0.06 0.00 3.61 0.00 0.00 35.95 39.88 3mop h PHE 56 CO -0.39 0.30 0.71 1.49 -1.61 0.00 0.00 178.31 178.80 3mop h GLU 57 N 0.67 0.17 0.00 1.51 4.81 -0.96 0.19 114.58 120.96 3mop h GLU 57 Ca 0.32 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3mop h GLU 57 Cb 0.26 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3mop h GLU 57 CO -0.22 0.11 0.00 0.00 -0.73 0.00 0.00 179.01 178.18 3mop h ALA 58 N 1.54 1.00 -0.30 2.92 0.00 -0.87 -2.61 119.26 120.93 3mop h ALA 58 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3mop h ALA 58 Cb 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3mop h ALA 58 CO -0.12 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.41 3mop n LEU 59 N -2.69 2.87 -0.05 0.00 4.77 0.66 -3.09 117.00 119.46 3mop n LEU 59 Ca 0.01 -1.45 -0.09 0.00 -0.03 0.00 0.00 56.01 54.45 3mop n LEU 59 Cb 0.25 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 40.70 3mop n LEU 59 CO 0.23 0.44 -0.80 0.18 -1.33 0.00 0.00 177.39 176.11 3mop n LEU 60 N 0.37 0.55 0.13 2.23 7.99 -0.98 -1.09 117.00 126.19 3mop n LEU 60 Ca 0.13 0.24 0.10 0.00 -0.01 0.00 0.00 56.01 56.47 3mop n LEU 60 Cb 0.58 0.29 0.49 0.00 -0.11 0.00 0.00 43.42 44.67 3mop n LEU 60 CO 0.13 0.44 0.81 0.00 -1.51 0.00 0.00 177.39 177.27 3mop n GLN 61 N -2.93 0.15 -0.01 3.23 3.00 -1.18 -2.00 117.38 117.65 3mop n GLN 61 Ca -0.24 0.51 0.09 0.00 -0.01 0.00 0.00 57.00 57.35 3mop n GLN 61 Cb 1.10 -1.86 -0.13 0.00 0.00 0.00 0.00 30.24 29.35 3mop n GLN 61 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3mop n THR 62 N -2.15 0.00 -1.73 5.09 -2.24 -1.25 -5.02 114.28 106.97 3mop n THR 62 Ca 0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3mop n THR 62 Cb 0.13 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.68 3.15 3.38 0.00 -0.85 -5.08 105.19 107.95 3mop n GLY 63 Ca -0.01 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.34 3.02 -0.80 1.61 1.02 -0.25 -5.04 119.74 115.96 3mop s LYS 64 Ca 0.00 -0.84 -0.27 0.00 0.02 0.00 0.00 55.97 54.88 3mop s LYS 64 Cb 0.00 -2.52 -0.17 0.00 -0.52 0.00 0.00 37.83 34.62 3mop s LYS 64 CO 0.00 -0.11 2.54 -1.13 -0.92 0.00 0.00 175.35 175.73 3mop n SER 65 N 4.35 0.99 0.00 2.83 3.41 -1.26 -4.64 113.62 119.30 3mop n SER 65 Ca -0.20 -0.22 0.13 0.00 -0.26 0.00 0.00 58.87 58.32 3mop n SER 65 Cb 0.51 -1.18 0.68 0.00 -0.26 0.00 0.00 64.21 63.96 3mop n SER 65 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3mop n PRO 66 N 8.49 0.49 -0.06 4.33 -0.04 -1.26 -0.64 135.00 146.31 3mop n PRO 66 Ca 0.54 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.94 3mop n PRO 66 Cb 0.25 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 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 1.09 0.67 0.52 2.02 -1.91 -2.66 112.91 112.65 3mop h THR 67 Ca 0.00 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3mop h THR 67 Cb 0.17 0.85 0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3mop h THR 67 CO 0.00 0.09 -0.32 0.28 0.37 0.00 0.00 175.52 175.94 3mop h SER 68 N 0.27 -0.77 -0.17 4.18 0.02 -1.23 0.19 113.55 116.03 3mop h SER 68 Ca 0.08 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3mop h SER 68 Cb 0.03 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3mop h SER 68 CO -0.01 -0.39 0.46 -0.08 -1.14 0.00 0.00 176.83 175.67 3mop h GLU 69 N -1.22 0.00 0.08 3.45 4.57 -1.14 0.88 114.58 121.19 3mop h GLU 69 Ca -0.09 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.73 3mop h GLU 69 Cb 0.71 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 3mop h GLU 69 CO 0.15 0.00 -2.08 -0.11 -1.18 0.00 0.00 179.01 175.79 3mop n LEU 70 N -3.13 2.38 0.44 1.64 0.00 -1.00 -3.26 117.00 114.07 3mop n LEU 70 Ca 0.02 0.15 -0.19 0.00 0.00 0.00 0.00 56.01 55.99 3mop n LEU 70 Cb 0.55 -0.84 -0.09 0.00 0.00 0.00 0.00 43.42 43.03 3mop n LEU 70 CO 0.17 0.80 0.59 0.25 0.00 0.00 0.00 177.39 179.20 3mop h LEU 71 N 0.05 -0.93 -0.26 -1.96 5.85 0.37 0.74 115.31 119.16 3mop h LEU 71 Ca -0.45 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.37 3mop h LEU 71 Cb 2.01 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 43.21 3mop h LEU 71 CO 0.05 -0.66 -0.28 0.15 -0.34 0.00 0.00 178.44 177.36 3mop h PHE 72 N -1.12 -0.77 0.00 1.25 3.57 -0.41 -2.36 116.94 117.10 3mop h PHE 72 Ca -0.11 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 3mop h PHE 72 Cb 0.85 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 3mop h PHE 72 CO -0.01 -0.36 -0.02 0.22 -2.23 0.00 0.00 178.31 175.91 3mop h ASP 73 N -0.29 0.00 -0.68 0.41 -0.00 -1.47 0.66 116.42 115.05 3mop h ASP 73 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.17 3mop h ASP 73 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.83 3mop h ASP 73 CO -0.42 0.02 0.00 1.87 -0.00 0.00 0.00 179.24 180.71 3mop n TRP 74 N -4.03 1.07 0.12 0.28 -0.00 0.23 -3.81 117.44 111.30 3mop n TRP 74 Ca -0.03 -0.50 0.05 0.00 -0.00 0.00 0.00 57.50 57.03 3mop n TRP 74 Cb 0.11 -0.06 0.02 0.00 -0.00 0.00 0.00 31.31 31.37 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 4.42 0.00 -1.98 5.87 0.00 0.86 -3.31 103.07 108.93 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 0.06 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.30 3mop n THR 76 N -3.02 0.74 -2.55 4.70 -2.24 -1.20 -1.22 114.28 109.50 3mop n THR 76 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3mop n THR 76 Cb 0.69 -0.87 0.03 0.00 -2.10 0.00 0.00 70.33 68.09 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 0.62 0.40 0.00 4.28 -1.04 -1.25 -5.03 114.28 112.25 3mop n THR 77 Ca 0.00 -1.43 0.00 0.00 -2.04 0.00 0.00 64.05 60.58 3mop n THR 77 Cb 0.37 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.90 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 -0.23 0.00 0.00 8.00 3.02 -0.36 -4.85 115.26 120.85 3mop n ASN 78 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 3mop n ASN 78 Cb 0.92 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 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 3.06 0.61 0.00 -4.23 -1.26 -2.66 115.64 111.16 3mop s THR 80 Ca 0.00 0.69 0.26 0.00 -1.18 0.00 0.00 61.69 61.46 3mop s THR 80 Cb 0.00 -3.29 0.34 0.00 1.34 0.00 0.00 72.50 70.89 3mop s THR 80 CO 0.00 -0.11 1.61 0.58 -0.54 0.00 0.00 174.62 176.16 3mop h VAL 81 N 1.30 0.15 0.03 2.29 2.07 -1.54 0.69 116.25 121.25 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 1.26 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3mop h VAL 81 CO 0.57 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 179.38 3mop h GLY 82 N 0.00 -0.05 -1.22 2.17 0.00 -1.83 -2.77 103.07 99.39 3mop h GLY 82 Ca 0.27 0.02 0.35 0.00 0.00 0.00 0.00 47.33 47.97 3mop h GLY 82 CO -0.00 -0.02 1.16 1.22 0.00 0.00 0.00 176.54 178.90 3mop n ASP 83 N -2.13 0.00 0.14 0.19 9.92 0.20 -0.36 116.55 124.51 3mop n ASP 83 Ca -0.01 0.75 -0.06 0.00 -0.53 0.00 0.00 54.79 54.95 3mop n ASP 83 Cb 0.02 -0.30 -0.03 0.00 -0.64 0.00 0.00 41.12 40.17 3mop n ASP 83 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3mop h LEU 84 N 0.00 -0.33 -0.37 0.64 7.12 -1.36 -2.84 115.31 118.17 3mop h LEU 84 Ca 0.58 0.01 -0.11 0.00 0.13 0.00 0.00 57.88 58.49 3mop h LEU 84 Cb 2.90 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 43.11 3mop h LEU 84 CO -0.01 -0.09 -0.20 1.62 -0.13 0.00 0.00 178.44 179.64 3mop h VAL 85 N -0.70 1.28 -0.78 1.05 3.04 -0.41 0.52 116.25 120.25 3mop h VAL 85 Ca -0.04 -1.33 0.23 0.00 -1.01 0.00 0.00 66.70 64.54 3mop h VAL 85 Cb 0.30 1.34 -0.03 0.00 -2.01 0.00 0.00 31.29 30.89 3mop h VAL 85 CO 0.07 0.44 0.69 0.44 -1.01 0.00 0.00 177.57 178.20 3mop h ASP 86 N 0.58 0.00 0.00 3.17 3.45 -0.92 1.89 116.42 124.59 3mop h ASP 86 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 3mop h ASP 86 Cb 0.75 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 3mop h ASP 86 CO 0.06 0.00 -1.77 -0.11 -1.57 0.00 0.00 179.24 175.85 3mop n LEU 87 N -3.88 0.16 -0.00 1.55 7.94 -0.71 -3.09 117.00 118.97 3mop n LEU 87 Ca 0.16 -0.09 -0.08 0.00 -1.11 0.00 0.00 56.01 54.89 3mop n LEU 87 Cb 0.96 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.85 3mop n LEU 87 CO 0.32 0.04 0.28 -0.07 -1.11 0.00 0.00 177.39 176.85 3mop h LEU 88 N 0.00 -0.09 0.38 -1.96 3.38 0.53 -3.06 115.31 114.49 3mop h LEU 88 Ca 0.00 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3mop h LEU 88 Cb 0.86 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3mop h LEU 88 CO 0.00 0.56 -0.43 0.40 0.09 0.00 0.00 178.44 179.06 3mop h ILE 89 N -0.95 0.00 0.00 1.22 2.04 0.24 0.57 117.51 120.64 3mop h ILE 89 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3mop h ILE 89 Cb 0.50 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3mop h ILE 89 CO 0.02 0.00 0.18 0.00 0.00 0.00 0.00 178.15 178.35 3mop n GLN 90 N -5.02 0.08 -0.16 2.37 10.64 -1.18 0.21 117.38 124.32 3mop n GLN 90 Ca -0.10 0.53 0.06 0.00 -1.83 0.00 0.00 57.00 55.66 3mop n GLN 90 Cb 0.39 -1.94 0.15 0.00 -0.86 0.00 0.00 30.24 27.97 3mop n GLN 90 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3mop n ASN 91 N -1.92 2.86 -0.60 2.61 5.03 -0.93 -4.98 115.26 117.33 3mop n ASN 91 Ca -0.01 -1.96 -0.07 0.00 0.87 0.00 0.00 54.58 53.42 3mop n ASN 91 Cb 0.20 -0.22 -0.02 0.00 -1.02 0.00 0.00 39.78 38.72 3mop n ASN 91 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 3mop n GLU 92 N 0.53 -0.49 -2.94 3.52 0.00 0.56 -4.96 120.64 116.86 3mop n GLU 92 Ca 0.11 0.61 -0.43 0.00 0.00 0.00 0.00 57.16 57.45 3mop n GLU 92 Cb 0.42 -4.43 0.01 0.00 0.00 0.00 0.00 31.44 27.44 3mop n GLU 92 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3mop n PHE 93 N -3.18 2.80 0.04 4.31 3.72 0.19 -4.79 117.46 120.56 3mop n PHE 93 Ca -0.07 -2.80 -0.14 0.00 -0.05 0.00 0.00 57.45 54.39 3mop n PHE 93 Cb 0.33 -1.44 -0.04 0.00 -0.94 0.00 0.00 39.48 37.39 3mop n PHE 93 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 3mop h PHE 94 N 5.68 0.76 -0.65 1.38 0.04 -1.88 -2.90 116.94 119.37 3mop h PHE 94 Ca 0.23 -0.37 0.01 0.00 2.80 0.00 0.00 57.97 60.63 3mop h PHE 94 Cb 0.65 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 3mop h PHE 94 CO 1.02 1.18 0.43 0.00 -0.60 0.00 0.00 178.31 180.34 3mop h ALA 95 N 0.71 0.82 -0.06 2.45 0.00 -1.97 0.87 119.26 122.08 3mop h ALA 95 Ca -0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3mop h ALA 95 Cb 1.47 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mop h ALA 95 CO 0.16 0.25 -0.16 -1.00 0.00 0.00 0.00 179.25 178.50 3mop h PRO 96 N 0.88 0.21 0.00 0.00 0.13 -1.97 -3.09 132.00 128.16 3mop h PRO 96 Ca 0.24 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3mop h PRO 96 Cb -0.10 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.05 3mop h PRO 96 CO -0.05 0.77 -0.02 0.00 -0.23 0.00 0.00 178.00 178.47 3mop h ALA 97 N 0.45 1.15 -0.16 -0.56 0.00 -1.41 0.14 119.26 118.88 3mop h ALA 97 Ca -0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3mop h ALA 97 Cb 0.78 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3mop h ALA 97 CO 0.03 0.02 -0.60 0.66 0.00 0.00 0.00 179.25 179.37 3mop h SER 98 N 0.00 0.60 0.06 0.00 4.64 -0.80 -2.52 113.55 115.53 3mop h SER 98 Ca -0.00 -0.34 -0.15 0.00 -0.47 0.00 0.00 61.79 60.84 3mop h SER 98 Cb 0.11 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3mop h SER 98 CO 0.00 1.06 -0.50 0.25 -0.87 0.00 0.00 176.83 176.77 3mop h LEU 99 N 0.39 0.54 0.00 5.97 5.85 -0.66 -3.03 115.31 124.38 3mop h LEU 99 Ca -0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3mop h LEU 99 Cb 1.15 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3mop h LEU 99 CO 0.11 0.95 0.00 -0.11 -0.34 0.00 0.00 178.44 179.05 3mop n LEU 100 N -3.97 0.00 -3.61 2.25 0.00 -0.87 -4.78 117.00 106.02 3mop n LEU 100 Ca -0.03 0.58 -0.28 0.00 0.00 0.00 0.00 56.01 56.29 3mop n LEU 100 Cb 0.57 -0.08 -0.16 0.00 0.00 0.00 0.00 43.42 43.75 3mop n LEU 100 CO 0.46 -0.08 -0.33 -1.48 0.00 0.00 0.00 177.39 175.95 3mop s LEU 101 N -1.79 0.70 0.00 -1.96 2.34 -0.95 -4.94 118.68 112.08 3mop s LEU 101 Ca 0.00 -1.00 0.00 0.00 0.06 0.00 0.00 54.13 53.19 3mop s LEU 101 Cb 0.00 -0.39 0.00 0.00 -0.56 0.00 0.00 46.19 45.24 3mop s LEU 101 CO 0.00 -0.39 0.31 -2.65 -1.06 0.00 0.00 176.35 172.56 3mop n PRO 102 N 5.20 0.26 0.00 1.48 -0.02 -1.14 -4.20 135.00 136.57 3mop n PRO 102 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3mop n PRO 102 Cb 0.45 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 3mop n PRO 102 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3mop n ASP 103 N 1.07 0.00 -3.62 2.55 8.00 -1.26 -4.65 116.55 118.64 3mop n ASP 103 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 3mop n ASP 103 Cb 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 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 4.84 -3.62 2.24 0.00 -1.26 -4.74 120.51 114.98 3mop n ALA 104 Ca 0.00 -3.53 -0.27 0.00 0.00 0.00 0.00 53.44 49.64 3mop n ALA 104 Cb 0.00 -3.53 -0.11 0.00 0.00 0.00 0.00 19.45 15.82 3mop n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3mop n VAL 105 N 5.25 0.53 -0.21 0.00 0.31 -1.26 -4.94 118.33 118.01 3mop n VAL 105 Ca 0.53 -4.33 -0.16 0.00 -0.01 0.00 0.00 64.34 60.37 3mop n VAL 105 Cb 0.37 -1.97 0.16 0.00 -0.91 0.00 0.00 33.84 31.48 3mop n VAL 105 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3mop n PRO 106 N 2.12 -2.75 -3.49 5.55 -0.04 -1.26 -5.00 135.00 130.13 3mop n PRO 106 Ca 0.25 -0.77 -0.27 0.00 -0.04 0.00 0.00 63.50 62.67 3mop n PRO 106 Cb 0.42 -1.14 -0.09 0.00 -0.04 0.00 0.00 33.50 32.65 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 1.70 0.00 1.53 -0.00 -1.26 -5.12 117.00 113.86 3mop n LEU 107 Ca 0.07 -4.95 0.00 0.00 -0.00 0.00 0.00 56.01 51.13 3mop n LEU 107 Cb 0.32 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 3mop n LEU 107 CO 0.21 1.93 0.00 -0.62 -0.00 0.00 0.00 177.39 178.91