#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bng n ASN 5 N 0.00 0.12 -4.87 4.38 6.94 -1.26 -4.83 115.26 115.74 1bng n ASN 5 Ca 0.00 -1.81 -0.25 0.00 -0.02 0.00 0.00 54.58 52.50 1bng n ASN 5 Cb 0.00 -0.10 -0.04 0.00 -2.36 0.00 0.00 39.78 37.28 1bng n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bng s THR 6 N 0.00 4.87 0.15 5.53 -4.23 -1.26 -0.13 115.64 120.57 1bng s THR 6 Ca 0.11 -0.96 -0.17 0.00 -1.18 0.00 0.00 61.69 59.49 1bng s THR 6 Cb 0.12 -3.53 0.02 0.00 1.34 0.00 0.00 72.50 70.45 1bng s THR 6 CO -0.05 -0.15 1.74 -0.26 -0.54 0.00 0.00 174.62 175.36 1bng h PHE 7 N 2.08 0.17 -0.20 3.99 0.04 -1.98 -0.90 116.94 120.13 1bng h PHE 7 Ca -0.48 0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.13 1bng h PHE 7 Cb 1.21 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1bng h PHE 7 CO 0.55 0.06 -0.57 -0.44 -0.60 0.00 0.00 178.31 177.31 1bng h ASP 8 N 0.23 0.85 -0.20 2.17 3.32 -1.99 -1.43 116.42 119.37 1bng h ASP 8 Ca 0.16 -0.58 0.03 0.00 0.02 0.00 0.00 57.03 56.65 1bng h ASP 8 Cb 0.15 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1bng h ASP 8 CO -0.18 1.28 0.04 1.23 -1.72 0.00 0.00 179.24 179.89 1bng h GLY 9 N 0.46 0.23 0.99 2.75 0.00 -1.92 -2.30 103.07 103.29 1bng h GLY 9 Ca -0.01 -0.02 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1bng h GLY 9 CO 0.12 0.00 -0.66 -2.08 0.00 0.00 0.00 176.54 173.92 1bng h VAL 10 N 0.13 1.34 -0.53 4.60 2.07 -1.21 -1.94 116.25 120.71 1bng h VAL 10 Ca 0.09 -1.95 0.08 0.00 0.82 0.00 0.00 66.70 65.74 1bng h VAL 10 Cb 0.08 2.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 1bng h VAL 10 CO -0.12 0.60 0.18 0.00 0.02 0.00 0.00 177.57 178.25 1bng h ALA 11 N 0.47 0.65 -0.03 1.67 0.00 -1.19 0.99 119.26 121.81 1bng h ALA 11 Ca -0.06 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1bng h ALA 11 Cb 1.31 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1bng h ALA 11 CO 0.13 -0.22 -0.01 -0.44 0.00 0.00 0.00 179.25 178.72 1bng h ASP 12 N 0.36 0.07 -0.29 0.00 3.32 -1.46 -2.37 116.42 116.05 1bng h ASP 12 Ca 0.26 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 56.99 1bng h ASP 12 Cb 0.30 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.75 1bng h ASP 12 CO -0.27 0.43 -0.31 0.22 -1.72 0.00 0.00 179.24 177.59 1bng h TYR 13 N -0.30 -0.85 -0.13 4.55 5.03 -0.95 -2.80 116.97 121.52 1bng h TYR 13 Ca 0.01 0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.41 1bng h TYR 13 Cb 0.40 0.42 -0.05 0.00 1.55 0.00 0.00 36.73 39.05 1bng h TYR 13 CO 0.06 -0.38 -0.18 -0.07 -1.32 0.00 0.00 178.16 176.27 1bng h LEU 14 N -0.30 -0.54 -1.10 2.82 3.38 -0.78 0.38 115.31 119.17 1bng h LEU 14 Ca 0.14 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1bng h LEU 14 Cb 0.53 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 1bng h LEU 14 CO -0.45 -0.22 0.61 1.56 0.09 0.00 0.00 178.44 180.02 1bng h GLN 15 N -0.22 0.98 0.00 1.13 4.20 -1.20 0.44 115.11 120.44 1bng h GLN 15 Ca 0.10 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 1bng h GLN 15 Cb 0.36 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1bng h GLN 15 CO -0.26 0.65 -0.69 1.15 -0.67 0.00 0.00 178.83 179.01 1bng h THR 16 N 1.01 1.32 0.00 -0.54 2.02 -1.33 -3.40 112.91 111.99 1bng h THR 16 Ca 0.44 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 65.36 1bng h THR 16 Cb 0.34 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1bng h THR 16 CO -0.19 0.45 -0.74 -1.22 0.37 0.00 0.00 175.52 174.19 1bng n TYR 17 N -4.51 0.34 -2.04 3.16 4.01 0.13 -4.97 117.16 113.27 1bng n TYR 17 Ca -0.22 0.10 -0.20 0.00 -0.16 0.00 0.00 57.90 57.42 1bng n TYR 17 Cb 0.59 -0.49 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 1bng n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bng n HIS 18 N -1.93 -0.55 -3.64 -0.72 8.25 0.15 -4.95 115.22 111.83 1bng n HIS 18 Ca 0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.39 1bng n HIS 18 Cb 0.42 -3.70 -0.03 0.00 1.12 0.00 0.00 29.99 27.80 1bng n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bng s LYS 19 N -4.46 1.40 0.48 -0.41 -2.85 -1.26 -5.07 119.74 107.57 1bng s LYS 19 Ca 0.00 -0.73 -0.15 0.00 -1.00 0.00 0.00 55.97 54.09 1bng s LYS 19 Cb 0.00 0.56 -0.08 0.00 -2.06 0.00 0.00 37.83 36.25 1bng s LYS 19 CO 0.00 -0.61 0.92 -0.51 0.10 0.00 0.00 175.35 175.25 1bng s LEU 20 N -2.83 3.70 0.99 2.77 1.43 -1.26 -4.15 118.68 119.32 1bng s LEU 20 Ca 0.06 1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 1bng s LEU 20 Cb -0.02 -4.37 0.19 0.00 0.03 0.00 0.00 46.19 42.02 1bng s LEU 20 CO -0.05 -0.52 1.11 -2.84 0.23 0.00 0.00 176.35 174.27 1bng s PRO 21 N -3.96 0.43 0.33 1.29 0.02 -1.26 -4.87 135.00 126.98 1bng s PRO 21 Ca 0.57 1.31 0.24 0.00 0.02 0.00 0.00 61.00 63.14 1bng s PRO 21 Cb -0.10 -1.68 1.20 0.00 0.02 0.00 0.00 34.50 33.95 1bng s PRO 21 CO 0.30 -2.96 1.74 -0.44 -0.33 0.00 0.00 177.00 175.31 1bng h ASP 22 N -2.09 0.00 -0.16 2.53 3.32 -1.96 -2.81 116.42 115.25 1bng h ASP 22 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1bng h ASP 22 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1bng h ASP 22 CO 0.45 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.51 1bng n ASN 23 N -2.34 0.99 -4.54 6.45 6.94 -1.26 -4.83 115.26 116.68 1bng n ASN 23 Ca -0.00 -2.02 -0.34 0.00 -0.02 0.00 0.00 54.58 52.20 1bng n ASN 23 Cb 0.11 -0.16 -0.12 0.00 -2.36 0.00 0.00 39.78 37.25 1bng n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bng s TYR 24 N -1.74 2.91 0.06 -2.53 2.02 -1.06 -0.57 117.35 116.44 1bng s TYR 24 Ca 0.11 -0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 1bng s TYR 24 Cb 0.06 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 1bng s TYR 24 CO 0.07 0.20 -0.09 0.96 -1.57 0.00 0.00 175.55 175.12 1bng s ILE 25 N -0.49 0.73 0.79 2.71 -4.36 -0.68 -4.91 121.20 114.98 1bng s ILE 25 Ca 0.07 -1.29 -0.12 0.00 -0.26 0.00 0.00 60.65 59.05 1bng s ILE 25 Cb -0.12 -0.92 0.06 0.00 1.25 0.00 0.00 42.46 42.73 1bng s ILE 25 CO 0.02 -0.43 1.15 0.42 0.24 0.00 0.00 174.94 176.34 1bng s THR 26 N -1.74 2.52 0.37 8.37 -4.23 -1.21 -1.06 115.64 118.66 1bng s THR 26 Ca -0.04 0.17 0.05 0.00 -1.18 0.00 0.00 61.69 60.69 1bng s THR 26 Cb -0.07 -3.13 0.27 0.00 1.34 0.00 0.00 72.50 70.91 1bng s THR 26 CO 0.00 -0.22 2.02 0.11 -0.54 0.00 0.00 174.62 175.99 1bng h LYS 27 N -0.98 0.71 -0.17 3.99 1.57 -1.97 -1.55 116.57 118.18 1bng h LYS 27 Ca -0.46 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1bng h LYS 27 Cb 1.30 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1bng h LYS 27 CO 0.65 0.47 0.10 0.77 -0.57 0.00 0.00 179.45 180.87 1bng h SER 28 N 0.73 0.20 -0.32 0.86 0.02 -1.99 -0.80 113.55 112.25 1bng h SER 28 Ca 0.22 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1bng h SER 28 Cb -0.01 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1bng h SER 28 CO -0.05 0.19 0.13 -0.33 -1.14 0.00 0.00 176.83 175.63 1bng h GLU 29 N 0.20 0.48 -0.35 3.45 5.08 -1.82 -1.54 114.58 120.09 1bng h GLU 29 Ca 0.06 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1bng h GLU 29 Cb 0.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1bng h GLU 29 CO -0.01 0.47 0.18 0.00 -1.00 0.00 0.00 179.01 178.65 1bng h ALA 30 N 0.98 0.43 -0.47 3.43 0.00 -1.20 -2.30 119.26 120.13 1bng h ALA 30 Ca 0.11 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1bng h ALA 30 Cb 0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1bng h ALA 30 CO -0.01 -0.19 0.16 1.96 0.00 0.00 0.00 179.25 181.17 1bng h GLN 31 N 0.36 0.32 -0.07 0.00 4.20 -1.02 0.14 115.11 119.04 1bng h GLN 31 Ca 0.14 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1bng h GLN 31 Cb 0.05 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1bng h GLN 31 CO -0.10 0.21 0.11 0.00 -0.67 0.00 0.00 178.83 178.38 1bng h ALA 32 N 1.31 1.52 0.00 3.87 0.00 -0.74 -1.27 119.26 123.95 1bng h ALA 32 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1bng h ALA 32 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bng h ALA 32 CO -0.23 -0.14 -0.62 1.28 0.00 0.00 0.00 179.25 179.53 1bng n LEU 33 N -3.61 0.59 0.00 0.00 4.77 -0.02 -4.94 117.00 113.78 1bng n LEU 33 Ca -0.01 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1bng n LEU 33 Cb 0.20 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1bng n LEU 33 CO 0.25 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1bng n GLY 34 N 1.42 1.39 3.68 -0.72 0.00 -0.48 -4.97 105.19 105.51 1bng n GLY 34 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1bng n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bng s TRP 35 N -2.00 2.50 -0.28 1.61 -0.00 -0.88 -4.98 118.94 114.92 1bng s TRP 35 Ca 0.00 0.53 -0.00 0.00 -0.00 0.00 0.00 56.10 56.63 1bng s TRP 35 Cb 0.00 -3.80 0.05 0.00 -0.00 0.00 0.00 33.47 29.72 1bng s TRP 35 CO 0.00 -3.16 -0.05 0.08 -0.00 0.00 0.00 176.95 173.82 1bng s VAL 36 N 2.96 2.68 0.15 5.86 1.01 -1.26 -4.55 120.40 127.25 1bng s VAL 36 Ca 0.69 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1bng s VAL 36 Cb -0.34 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.56 1bng s VAL 36 CO 0.28 -0.02 1.71 0.00 0.00 0.00 0.00 175.10 177.07 1bng h ALA 37 N 7.92 0.27 0.00 5.51 0.00 -1.99 -0.09 119.26 130.89 1bng h ALA 37 Ca -0.23 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bng h ALA 37 Cb 1.06 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1bng h ALA 37 CO 0.52 -0.41 0.00 0.43 0.00 0.00 0.00 179.25 179.78 1bng n SER 38 N -5.18 0.51 -0.02 0.00 7.64 -1.26 -1.53 113.62 113.77 1bng n SER 38 Ca 0.00 0.69 0.04 0.00 1.01 0.00 0.00 58.87 60.62 1bng n SER 38 Cb 0.17 -0.78 -0.15 0.00 -1.01 0.00 0.00 64.21 62.44 1bng n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bng n LYS 39 N -2.14 0.66 -3.37 1.43 5.02 -0.15 -5.01 118.16 114.60 1bng n LYS 39 Ca -0.00 -0.09 -0.17 0.00 -2.02 0.00 0.00 58.31 56.03 1bng n LYS 39 Cb 0.09 -1.57 0.08 0.00 -0.02 0.00 0.00 35.03 33.62 1bng n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bng n GLY 40 N 1.40 -0.33 0.78 0.72 0.00 -0.58 -4.88 105.19 102.31 1bng n GLY 40 Ca -0.12 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1bng n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bng n ASN 41 N -2.96 3.62 -0.21 1.61 6.94 -1.24 -4.01 115.26 119.00 1bng n ASN 41 Ca -0.23 -2.87 -0.00 0.00 -0.02 0.00 0.00 54.58 51.45 1bng n ASN 41 Cb 0.64 -0.49 0.11 0.00 -2.36 0.00 0.00 39.78 37.69 1bng n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bng h LEU 42 N 1.67 0.35 -1.62 -4.53 5.85 -1.87 -0.79 115.31 114.37 1bng h LEU 42 Ca 0.00 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1bng h LEU 42 Cb 1.30 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1bng h LEU 42 CO 0.17 0.21 -0.20 0.00 -0.34 0.00 0.00 178.44 178.28 1bng h ALA 43 N 1.39 1.34 -0.03 1.25 0.00 -1.84 0.24 119.26 121.62 1bng h ALA 43 Ca 0.31 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1bng h ALA 43 Cb 0.32 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1bng h ALA 43 CO -0.26 0.26 -0.75 -0.44 0.00 0.00 0.00 179.25 178.05 1bng h ASP 44 N 0.00 0.71 0.47 0.00 3.32 -1.53 -3.06 116.42 116.35 1bng h ASP 44 Ca -0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 57.03 56.02 1bng h ASP 44 Cb 0.46 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1bng h ASP 44 CO 0.03 1.34 -1.48 -0.37 -1.72 0.00 0.00 179.24 177.04 1bng h VAL 45 N 0.16 1.22 -2.20 -1.35 -1.51 -1.13 -3.41 116.25 108.03 1bng h VAL 45 Ca -0.09 -2.84 -0.58 0.00 -1.23 0.00 0.00 66.70 61.97 1bng h VAL 45 Cb 1.43 2.81 -0.39 0.00 -2.13 0.00 0.00 31.29 33.00 1bng h VAL 45 CO 0.15 0.83 -0.97 0.00 -1.23 0.00 0.00 177.57 176.35 1bng n ALA 46 N -2.65 2.83 -1.60 5.19 0.00 0.84 -5.04 120.51 120.08 1bng n ALA 46 Ca -0.15 -3.56 -0.49 0.00 0.00 0.00 0.00 53.44 49.23 1bng n ALA 46 Cb 1.04 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 1bng n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bng n PRO 47 N 1.79 1.32 -0.75 0.00 -0.04 -1.15 -1.20 135.00 134.96 1bng n PRO 47 Ca 0.25 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1bng n PRO 47 Cb 0.49 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1bng n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bng n GLY 48 N 2.31 1.35 3.93 0.55 0.00 -1.26 -5.02 105.19 107.05 1bng n GLY 48 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1bng n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bng s LYS 49 N -0.06 3.51 0.10 1.61 -0.14 -0.34 -4.79 119.74 119.63 1bng s LYS 49 Ca 0.00 -0.37 0.04 0.00 -1.36 0.00 0.00 55.97 54.28 1bng s LYS 49 Cb 0.00 -2.85 -0.03 0.00 -1.68 0.00 0.00 37.83 33.27 1bng s LYS 49 CO 0.00 0.41 -0.11 -1.12 -0.76 0.00 0.00 175.35 173.77 1bng s SER 50 N -3.19 1.57 -0.05 2.83 0.01 0.26 -4.81 113.70 110.32 1bng s SER 50 Ca 0.38 -0.78 -0.27 0.00 1.31 0.00 0.00 55.95 56.59 1bng s SER 50 Cb -0.11 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.08 1bng s SER 50 CO 0.29 -0.22 0.84 -0.63 0.41 0.00 0.00 173.24 173.93 1bng s ILE 51 N -2.21 4.95 -0.22 1.44 -1.09 -1.26 -1.69 121.20 121.13 1bng s ILE 51 Ca 0.05 1.74 -0.30 0.00 -2.23 0.00 0.00 60.65 59.91 1bng s ILE 51 Cb -0.04 -4.17 0.16 0.00 -1.58 0.00 0.00 42.46 36.82 1bng s ILE 51 CO 0.01 0.19 1.17 -0.83 -1.23 0.00 0.00 174.94 174.25 1bng s GLY 52 N 0.92 -0.11 0.00 6.18 0.00 -0.23 -0.63 107.32 113.46 1bng s GLY 52 Ca 0.44 2.37 0.00 0.00 0.00 0.00 0.00 44.72 47.53 1bng s GLY 52 CO 0.22 1.04 0.00 0.61 0.00 0.00 0.00 173.10 174.97 1bng n GLY 53 N 0.59 0.77 3.81 0.20 0.00 0.13 -3.35 105.19 107.35 1bng n GLY 53 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1bng n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bng s ASP 54 N -1.91 6.47 0.21 1.61 1.01 -1.24 -4.75 116.67 118.08 1bng s ASP 54 Ca 0.00 1.80 -0.30 0.00 0.71 0.00 0.00 52.55 54.75 1bng s ASP 54 Cb 0.00 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 1bng s ASP 54 CO 0.00 -0.69 1.35 -0.63 0.21 0.00 0.00 175.17 175.40 1bng s ILE 55 N -2.19 3.06 -0.22 0.77 -1.09 -1.26 -1.70 121.20 118.56 1bng s ILE 55 Ca 0.64 0.88 -0.07 0.00 -2.23 0.00 0.00 60.65 59.86 1bng s ILE 55 Cb -0.13 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1bng s ILE 55 CO 0.22 0.13 0.07 0.12 -1.23 0.00 0.00 174.94 174.25 1bng s PHE 56 N 0.12 3.13 0.11 3.97 5.36 -0.31 -4.88 117.98 125.49 1bng s PHE 56 Ca 0.58 -0.23 -0.14 0.00 -0.96 0.00 0.00 56.93 56.18 1bng s PHE 56 Cb -0.38 -2.17 -0.06 0.00 -0.34 0.00 0.00 43.02 40.07 1bng s PHE 56 CO 0.39 -0.17 1.46 0.66 -1.46 0.00 0.00 175.22 176.11 1bng h SER 57 N 7.65 0.80 -4.00 6.13 4.64 -1.95 -3.39 113.55 123.43 1bng h SER 57 Ca -0.37 -0.44 -0.26 0.00 -0.47 0.00 0.00 61.79 60.26 1bng h SER 57 Cb 1.18 -0.22 0.08 0.00 -0.31 0.00 0.00 62.40 63.13 1bng h SER 57 CO 0.62 1.07 -0.43 -3.20 -0.87 0.00 0.00 176.83 174.01 1bng n ASN 58 N -4.25 -4.81 -0.14 4.97 5.15 -1.26 -4.90 115.26 110.02 1bng n ASN 58 Ca -0.03 -0.33 -0.05 0.00 -0.60 0.00 0.00 54.58 53.58 1bng n ASN 58 Cb 0.45 -3.43 0.04 0.00 -0.53 0.00 0.00 39.78 36.30 1bng n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1bng h ARG 59 N -1.65 0.34 0.00 1.20 9.65 -2.01 0.20 114.38 122.11 1bng h ARG 59 Ca -0.37 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1bng h ARG 59 Cb 1.24 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1bng h ARG 59 CO 0.36 0.22 0.00 0.39 2.80 0.00 0.00 179.97 183.75 1bng n GLU 60 N -4.99 0.06 -3.64 0.20 4.71 -1.26 -4.91 120.64 110.81 1bng n GLU 60 Ca 0.03 0.33 -0.25 0.00 -0.01 0.00 0.00 57.16 57.26 1bng n GLU 60 Cb 0.16 -1.62 0.07 0.00 -1.01 0.00 0.00 31.44 29.04 1bng n GLU 60 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bng n GLY 61 N -0.14 -0.54 0.07 0.62 0.00 0.06 -4.90 105.19 100.36 1bng n GLY 61 Ca 0.03 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.43 1bng n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bng n LYS 62 N -4.96 0.38 -4.80 1.61 4.01 -1.26 -4.82 118.16 108.32 1bng n LYS 62 Ca 0.01 -0.13 -0.31 0.00 -0.51 0.00 0.00 58.31 57.37 1bng n LYS 62 Cb 0.56 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 33.44 1bng n LYS 62 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1bng s LEU 63 N -2.71 2.40 -0.26 -0.35 1.43 -1.26 -4.90 118.68 113.04 1bng s LEU 63 Ca 0.22 -0.49 -0.33 0.00 -1.03 0.00 0.00 54.13 52.50 1bng s LEU 63 Cb 0.19 -1.41 -0.10 0.00 0.03 0.00 0.00 46.19 44.90 1bng s LEU 63 CO 0.53 0.26 2.12 -0.81 0.23 0.00 0.00 176.35 178.69 1bng n PRO 64 N 1.72 1.55 -3.00 1.29 -0.04 -1.26 -4.95 135.00 130.32 1bng n PRO 64 Ca -0.17 0.47 -0.31 0.00 -0.04 0.00 0.00 63.50 63.46 1bng n PRO 64 Cb 0.52 -2.70 -0.04 0.00 -0.04 0.00 0.00 33.50 31.24 1bng n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1bng s GLY 65 N 6.80 2.04 0.01 0.55 0.00 -1.26 -5.06 107.32 110.39 1bng s GLY 65 Ca 1.03 -0.19 -0.28 0.00 0.00 0.00 0.00 44.72 45.28 1bng s GLY 65 CO 0.46 -0.01 0.86 1.25 0.00 0.00 0.00 173.10 175.67 1bng s LYS 66 N -3.58 0.86 -0.11 2.90 2.20 -1.26 -5.08 119.74 115.67 1bng s LYS 66 Ca 0.51 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.50 1bng s LYS 66 Cb -0.10 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.60 1bng s LYS 66 CO 0.28 -0.38 1.03 -1.54 -0.36 0.00 0.00 175.35 174.37 1bng s SER 67 N -2.51 7.22 0.00 1.43 1.04 -1.26 -2.94 113.70 116.68 1bng s SER 67 Ca 0.05 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.02 1bng s SER 67 Cb -0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1bng s SER 67 CO -0.09 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1bng n GLY 68 N 3.14 0.71 3.67 7.32 0.00 -1.26 -5.03 105.19 113.74 1bng n GLY 68 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1bng n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bng s ARG 69 N -0.23 4.16 0.02 1.61 3.52 -1.15 -4.92 118.95 121.96 1bng s ARG 69 Ca 0.00 0.09 0.08 0.00 -0.13 0.00 0.00 55.73 55.77 1bng s ARG 69 Cb 0.00 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 1bng s ARG 69 CO 0.00 0.01 -0.23 0.95 -0.81 0.00 0.00 175.30 175.22 1bng s THR 70 N 1.18 2.40 -0.02 4.11 -4.23 -1.26 -4.78 115.64 113.03 1bng s THR 70 Ca 0.16 -1.23 -0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1bng s THR 70 Cb -0.14 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 1bng s THR 70 CO 0.07 0.41 0.03 0.26 -0.54 0.00 0.00 174.62 174.85 1bng s TRP 71 N -0.80 3.17 0.14 3.99 0.52 -1.26 -1.65 118.94 123.05 1bng s TRP 71 Ca 0.12 0.15 0.01 0.00 0.02 0.00 0.00 56.10 56.41 1bng s TRP 71 Cb -0.10 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 1bng s TRP 71 CO 0.02 0.50 -0.01 1.03 0.02 0.00 0.00 176.95 178.51 1bng s ARG 72 N -1.45 1.00 0.12 4.98 0.52 -0.20 -1.16 118.95 122.76 1bng s ARG 72 Ca 0.19 -1.46 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 1bng s ARG 72 Cb -0.12 -0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.14 1bng s ARG 72 CO 0.09 -0.12 -0.03 -1.83 0.02 0.00 0.00 175.30 173.44 1bng s GLU 73 N -3.91 0.92 -0.14 3.54 -1.05 -0.69 -1.21 118.70 116.17 1bng s GLU 73 Ca 0.20 -1.40 -0.16 0.00 -0.15 0.00 0.00 54.97 53.46 1bng s GLU 73 Cb 0.06 -0.17 0.04 0.00 -0.44 0.00 0.00 34.13 33.62 1bng s GLU 73 CO 0.01 -0.08 0.43 0.00 0.95 0.00 0.00 175.26 176.57 1bng s ALA 74 N -3.68 -1.07 0.27 -0.84 0.00 -0.70 0.21 121.76 115.95 1bng s ALA 74 Ca 0.17 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 1bng s ALA 74 Cb 0.06 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.52 1bng s ALA 74 CO -0.02 -0.22 1.05 -0.51 0.00 0.00 0.00 175.76 176.06 1bng s ASP 75 N -0.07 7.38 0.09 0.00 1.11 0.20 -0.86 116.67 124.52 1bng s ASP 75 Ca -0.03 2.17 0.09 0.00 0.18 0.00 0.00 52.55 54.97 1bng s ASP 75 Cb -0.03 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 1bng s ASP 75 CO 0.02 -0.05 -0.21 -0.63 1.18 0.00 0.00 175.17 175.47 1bng s ILE 76 N -1.16 2.62 -1.94 0.77 -1.09 -0.41 -4.71 121.20 115.28 1bng s ILE 76 Ca 0.43 -1.46 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 1bng s ILE 76 Cb -0.30 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 1bng s ILE 76 CO 0.38 0.19 0.00 0.59 -1.23 0.00 0.00 174.94 174.88 1bng n ASN 77 N 1.14 -5.37 -4.73 3.58 3.02 0.81 -4.53 115.26 109.18 1bng n ASN 77 Ca -0.16 0.35 -0.39 0.00 -0.03 0.00 0.00 54.58 54.35 1bng n ASN 77 Cb 0.53 -4.52 -0.05 0.00 -0.61 0.00 0.00 39.78 35.12 1bng n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bng s TYR 78 N -2.77 3.59 0.00 3.10 5.04 -1.26 -4.89 117.35 120.16 1bng s TYR 78 Ca 0.00 1.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 1bng s TYR 78 Cb 0.00 -2.67 0.00 0.00 0.35 0.00 0.00 41.96 39.64 1bng s TYR 78 CO 0.00 0.19 0.00 0.25 -1.34 0.00 0.00 175.55 174.65 1bng n THR 79 N 3.43 0.00 -3.56 4.34 -2.24 -1.26 -4.92 114.28 110.06 1bng n THR 79 Ca -0.05 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 1bng n THR 79 Cb 0.51 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1bng n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bng s SER 80 N -3.96 -0.45 0.00 3.42 1.04 -1.26 -4.70 113.70 107.79 1bng s SER 80 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1bng s SER 80 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1bng s SER 80 CO 0.00 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1bng n GLY 81 N -0.39 -0.84 3.74 7.32 0.00 -1.26 -4.90 105.19 108.86 1bng n GLY 81 Ca -0.12 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 1bng n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bng s PHE 82 N 0.00 2.27 0.47 1.61 0.40 -1.26 -4.46 117.98 117.01 1bng s PHE 82 Ca 0.00 1.62 -0.23 0.00 -0.60 0.00 0.00 56.93 57.72 1bng s PHE 82 Cb 0.00 -3.21 -0.07 0.00 0.51 0.00 0.00 43.02 40.25 1bng s PHE 82 CO 0.00 -2.15 1.28 1.03 0.70 0.00 0.00 175.22 176.08 1bng s ARG 83 N -4.51 3.61 0.00 0.44 0.52 -1.26 -5.03 118.95 112.71 1bng s ARG 83 Ca 0.66 2.06 0.00 0.00 -0.52 0.00 0.00 55.73 57.93 1bng s ARG 83 Cb -0.21 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 32.79 1bng s ARG 83 CO 0.52 -0.76 0.00 0.27 0.02 0.00 0.00 175.30 175.35 1bng n ASN 84 N -0.48 0.00 -0.99 0.23 0.23 -1.26 -5.01 115.26 107.98 1bng n ASN 84 Ca 0.07 -0.65 0.09 0.00 -0.53 0.00 0.00 54.58 53.56 1bng n ASN 84 Cb 0.45 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.38 1bng n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bng s ASP 86 N -1.04 6.74 0.02 0.00 1.01 -1.26 -1.78 116.67 120.37 1bng s ASP 86 Ca 0.35 0.91 -0.03 0.00 0.71 0.00 0.00 52.55 54.50 1bng s ASP 86 Cb 0.19 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 1bng s ASP 86 CO 0.25 -0.34 0.03 -0.13 0.21 0.00 0.00 175.17 175.19 1bng s ARG 87 N 2.14 0.43 -0.14 8.23 1.81 0.00 -1.29 118.95 130.12 1bng s ARG 87 Ca 0.31 -0.66 -0.04 0.00 -1.72 0.00 0.00 55.73 53.62 1bng s ARG 87 Cb -0.16 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.47 1bng s ARG 87 CO 0.10 -0.09 -0.01 -1.50 -0.68 0.00 0.00 175.30 173.13 1bng s ILE 88 N -1.91 4.17 -0.14 1.52 2.07 -0.04 -1.35 121.20 125.52 1bng s ILE 88 Ca -0.11 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 58.88 1bng s ILE 88 Cb -0.06 -2.82 0.01 0.00 0.13 0.00 0.00 42.46 39.71 1bng s ILE 88 CO -0.02 0.51 -0.21 -0.76 -1.91 0.00 0.00 174.94 172.55 1bng s LEU 89 N 0.08 2.17 0.02 8.50 1.02 0.55 -1.72 118.68 129.28 1bng s LEU 89 Ca 0.01 -0.58 0.04 0.00 0.02 0.00 0.00 54.13 53.62 1bng s LEU 89 Cb -0.13 -1.46 -0.02 0.00 0.02 0.00 0.00 46.19 44.60 1bng s LEU 89 CO 0.02 0.08 -0.13 -0.72 0.02 0.00 0.00 176.35 175.63 1bng s TYR 90 N 0.80 1.10 0.36 0.29 1.13 -0.35 -0.09 117.35 120.60 1bng s TYR 90 Ca -0.07 -0.29 0.07 0.00 -1.41 0.00 0.00 57.07 55.37 1bng s TYR 90 Cb -0.16 -0.68 -0.01 0.00 -1.10 0.00 0.00 41.96 40.01 1bng s TYR 90 CO -0.01 0.01 0.41 -1.54 -2.51 0.00 0.00 175.55 171.90 1bng s SER 91 N -0.79 5.54 0.56 -0.18 1.04 -0.59 -1.03 113.70 118.26 1bng s SER 91 Ca 0.02 -0.42 0.30 0.00 0.48 0.00 0.00 55.95 56.34 1bng s SER 91 Cb -0.06 -0.95 1.70 0.00 0.10 0.00 0.00 66.02 66.80 1bng s SER 91 CO 0.00 -0.49 2.17 0.77 0.98 0.00 0.00 173.24 176.68 1bng h SER 92 N 1.00 0.00 -0.57 7.02 4.64 -1.66 -0.53 113.55 123.45 1bng h SER 92 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1bng h SER 92 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1bng h SER 92 CO 0.54 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 1bng n ASP 93 N -3.65 4.80 -2.55 4.97 5.75 -1.26 -4.97 116.55 119.64 1bng n ASP 93 Ca -0.02 -2.61 -0.19 0.00 -0.01 0.00 0.00 54.79 51.95 1bng n ASP 93 Cb 0.16 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 39.70 1bng n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bng n TRP 94 N 0.76 -1.61 -2.81 2.11 5.03 -0.20 -5.01 117.44 115.71 1bng n TRP 94 Ca 0.25 0.41 -0.40 0.00 3.03 0.00 0.00 57.50 60.79 1bng n TRP 94 Cb 0.94 -3.96 -0.05 0.00 -1.03 0.00 0.00 31.31 27.21 1bng n TRP 94 CO 0.00 0.00 0.00 -0.51 -0.03 0.00 0.00 177.69 177.15 1bng s LEU 95 N -5.70 4.54 -0.07 -0.99 1.43 -1.26 -4.86 118.68 111.77 1bng s LEU 95 Ca 0.24 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 55.13 1bng s LEU 95 Cb -0.11 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.62 1bng s LEU 95 CO 0.30 0.04 -0.17 -0.63 0.23 0.00 0.00 176.35 176.11 1bng s ILE 96 N -0.45 1.52 0.27 -0.59 -1.09 -0.84 -1.55 121.20 118.47 1bng s ILE 96 Ca 0.43 -0.71 0.05 0.00 -2.23 0.00 0.00 60.65 58.18 1bng s ILE 96 Cb -0.24 -1.33 -0.06 0.00 -1.58 0.00 0.00 42.46 39.25 1bng s ILE 96 CO 0.29 0.44 -0.01 -0.31 -1.23 0.00 0.00 174.94 174.12 1bng s TYR 97 N 0.42 1.82 0.06 3.97 1.51 0.88 -0.72 117.35 125.30 1bng s TYR 97 Ca -0.14 -0.84 0.00 0.00 -1.01 0.00 0.00 57.07 55.08 1bng s TYR 97 Cb -0.16 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1bng s TYR 97 CO 0.05 0.10 -0.05 -1.59 -1.11 0.00 0.00 175.55 172.95 1bng s LYS 98 N -3.82 0.65 -0.02 -0.62 -2.85 0.50 -0.33 119.74 113.26 1bng s LYS 98 Ca 0.31 -1.16 -0.02 0.00 -1.00 0.00 0.00 55.97 54.10 1bng s LYS 98 Cb 0.06 0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 1bng s LYS 98 CO 0.12 -0.06 0.05 -0.08 0.10 0.00 0.00 175.35 175.48 1bng s THR 99 N -3.36 0.00 -0.04 3.79 -1.32 -0.46 -0.50 115.64 113.75 1bng s THR 99 Ca 0.05 -0.03 0.06 0.00 -1.21 0.00 0.00 61.69 60.56 1bng s THR 99 Cb 0.04 -0.09 0.10 0.00 -1.51 0.00 0.00 72.50 71.04 1bng s THR 99 CO -0.06 -0.02 0.97 0.35 -2.21 0.00 0.00 174.62 173.64 1bng n THR 100 N 2.99 0.92 -2.69 5.08 -2.24 -1.26 -0.82 114.28 116.27 1bng n THR 100 Ca -0.13 -1.05 0.01 0.00 -2.27 0.00 0.00 64.05 60.61 1bng n THR 100 Cb 0.59 0.33 0.04 0.00 -2.10 0.00 0.00 70.33 69.20 1bng n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bng n ASP 101 N -0.63 1.47 -3.48 3.42 5.75 -1.17 -4.62 116.55 117.29 1bng n ASP 101 Ca 0.05 -2.08 -0.19 0.00 -0.01 0.00 0.00 54.79 52.56 1bng n ASP 101 Cb 0.52 -0.42 0.06 0.00 -1.03 0.00 0.00 41.12 40.26 1bng n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bng n TYR 103 N -3.90 -0.22 0.10 0.00 4.01 -1.26 -4.88 117.16 111.00 1bng n TYR 103 Ca -0.20 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.39 1bng n TYR 103 Cb 0.65 -3.05 -0.14 0.00 -0.31 0.00 0.00 39.34 36.49 1bng n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bng h GLN 104 N 0.00 0.24 -3.19 -0.72 4.20 -1.95 -3.47 115.11 110.21 1bng h GLN 104 Ca -0.36 -0.41 -0.11 0.00 0.06 0.00 0.00 58.65 57.82 1bng h GLN 104 Cb 1.15 0.15 -0.19 0.00 0.30 0.00 0.00 27.48 28.90 1bng h GLN 104 CO 0.50 1.19 -0.30 0.95 -0.67 0.00 0.00 178.83 180.50 1bng s THR 105 N -2.66 0.07 0.06 -0.54 -4.23 -1.26 -5.12 115.64 101.96 1bng s THR 105 Ca -0.04 -0.59 0.07 0.00 -1.18 0.00 0.00 61.69 59.95 1bng s THR 105 Cb 0.07 -0.71 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 1bng s THR 105 CO 0.88 -0.32 -0.19 -0.36 -0.54 0.00 0.00 174.62 174.08 1bng s PHE 106 N -1.77 1.63 -0.08 3.99 0.08 -1.26 -4.39 117.98 116.18 1bng s PHE 106 Ca -0.11 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.58 1bng s PHE 106 Cb -0.04 -0.94 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 1bng s PHE 106 CO 0.01 0.11 -0.17 0.99 -0.10 0.00 0.00 175.22 176.06 1bng s THR 107 N -0.96 1.50 0.11 0.64 2.01 0.35 -4.95 115.64 114.34 1bng s THR 107 Ca 0.05 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 1bng s THR 107 Cb -0.09 -1.34 -0.06 0.00 0.01 0.00 0.00 72.50 71.02 1bng s THR 107 CO 0.02 0.44 1.19 -0.75 -0.69 0.00 0.00 174.62 174.83 1bng s LYS 108 N 0.55 4.47 0.00 4.92 2.20 -1.26 -0.37 119.74 130.25 1bng s LYS 108 Ca -0.16 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 1bng s LYS 108 Cb -0.17 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1bng s LYS 108 CO 0.06 -0.17 0.09 0.44 -0.36 0.00 0.00 175.35 175.40 1bng n ILE 109 N 3.39 0.00 -1.54 5.43 -5.35 0.10 -4.93 119.36 116.46 1bng n ILE 109 Ca 0.07 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1bng n ILE 109 Cb 0.46 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 1bng n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33