#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsw n THR 2 N 0.00 -4.86 -2.54 0.00 -2.24 -1.06 -4.94 114.28 98.65 1nsw n THR 2 Ca 0.00 0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.69 1nsw n THR 2 Cb 0.00 -5.01 -0.01 0.00 -2.10 0.00 0.00 70.33 63.20 1nsw n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nsw s MET 3 N -1.89 3.69 -0.15 -0.78 0.00 -0.84 -4.81 119.30 114.52 1nsw s MET 3 Ca 0.06 0.50 -0.10 0.00 0.00 0.00 0.00 55.69 56.15 1nsw s MET 3 Cb -0.02 -2.29 -0.05 0.00 0.00 0.00 0.00 34.83 32.47 1nsw s MET 3 CO 0.26 -0.22 0.19 0.99 0.00 0.00 0.00 175.02 176.24 1nsw s THR 4 N -2.67 5.39 0.25 3.16 2.01 -1.26 -1.11 115.64 121.40 1nsw s THR 4 Ca 0.52 0.33 0.10 0.00 0.31 0.00 0.00 61.69 62.95 1nsw s THR 4 Cb -0.10 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1nsw s THR 4 CO 0.40 0.49 -0.06 -0.76 -0.69 0.00 0.00 174.62 174.00 1nsw s LEU 5 N -0.16 3.03 0.30 4.42 1.43 -0.20 -4.89 118.68 122.62 1nsw s LEU 5 Ca 0.13 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 1nsw s LEU 5 Cb -0.12 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1nsw s LEU 5 CO 0.02 0.03 0.19 0.42 0.23 0.00 0.00 176.35 177.24 1nsw s THR 6 N -2.23 0.19 0.53 5.49 -4.23 -1.26 -4.53 115.64 109.59 1nsw s THR 6 Ca 0.30 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.02 1nsw s THR 6 Cb -0.07 -2.50 0.29 0.00 1.34 0.00 0.00 72.50 71.56 1nsw s THR 6 CO 0.18 0.00 2.16 0.44 -0.54 0.00 0.00 174.62 176.86 1nsw h ASP 7 N 2.24 0.00 1.65 3.99 3.32 -1.91 0.13 116.42 125.84 1nsw h ASP 7 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1nsw h ASP 7 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1nsw h ASP 7 CO 0.48 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 1nsw h ALA 8 N 1.96 1.00 0.00 3.45 0.00 -1.99 -3.36 119.26 120.32 1nsw h ALA 8 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nsw h ALA 8 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nsw h ALA 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.52 1nsw n ASN 9 N -2.83 0.48 0.11 0.00 0.23 -0.86 -4.88 115.26 107.51 1nsw n ASN 9 Ca 0.04 -0.85 -0.13 0.00 -0.53 0.00 0.00 54.58 53.11 1nsw n ASN 9 Cb 0.45 0.13 -0.06 0.00 -2.08 0.00 0.00 39.78 38.23 1nsw n ASN 9 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1nsw h PHE 10 N 0.00 -0.68 -0.44 -2.53 3.57 -0.92 -2.51 116.94 113.43 1nsw h PHE 10 Ca 0.00 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1nsw h PHE 10 Cb 0.15 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.09 1nsw h PHE 10 CO 0.00 -0.35 -0.17 1.96 -2.23 0.00 0.00 178.31 177.52 1nsw h GLN 11 N -0.46 -0.07 0.00 1.11 1.08 -1.85 -1.58 115.11 113.35 1nsw h GLN 11 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1nsw h GLN 11 Cb 0.48 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1nsw h GLN 11 CO -0.15 -0.05 0.00 1.96 -0.95 0.00 0.00 178.83 179.65 1nsw h GLN 12 N -0.07 0.00 -0.41 1.46 1.08 -1.91 -0.27 115.11 114.99 1nsw h GLN 12 Ca 0.21 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.37 1nsw h GLN 12 Cb 0.40 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1nsw h GLN 12 CO -0.49 0.00 0.09 0.00 -0.95 0.00 0.00 178.83 177.48 1nsw h ALA 13 N 2.09 0.54 0.00 3.87 0.00 -0.85 -3.13 119.26 121.78 1nsw h ALA 13 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nsw h ALA 13 Cb 0.87 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1nsw h ALA 13 CO 0.00 0.23 -0.81 -0.84 0.00 0.00 0.00 179.25 177.83 1nsw h ILE 14 N 0.52 0.00 0.00 0.00 3.07 -1.29 -3.40 117.51 116.41 1nsw h ILE 14 Ca 0.13 -0.92 -0.61 0.00 1.55 0.00 0.00 64.86 65.00 1nsw h ILE 14 Cb 0.34 1.50 0.03 0.00 -0.27 0.00 0.00 36.82 38.42 1nsw h ILE 14 CO 0.00 0.00 2.52 1.67 -1.05 0.00 0.00 178.15 181.29 1nsw n GLN 15 N -2.65 1.86 -3.59 0.16 -0.06 -0.12 -3.41 117.38 109.57 1nsw n GLN 15 Ca 0.01 -1.89 -0.07 0.00 -2.00 0.00 0.00 57.00 53.05 1nsw n GLN 15 Cb 0.53 -2.88 -0.02 0.00 -4.06 0.00 0.00 30.24 23.82 1nsw n GLN 15 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1nsw s GLY 16 N 4.37 -0.40 0.25 1.69 0.00 -1.26 -4.92 107.32 107.05 1nsw s GLY 16 Ca 0.53 0.59 -0.03 0.00 0.00 0.00 0.00 44.72 45.80 1nsw s GLY 16 CO 0.05 0.18 1.77 1.29 0.00 0.00 0.00 173.10 176.40 1nsw h ASP 17 N 2.00 0.86 -0.37 1.64 3.04 -1.89 -2.37 116.42 119.32 1nsw h ASP 17 Ca -0.24 -0.18 -0.72 0.00 -3.24 0.00 0.00 57.03 52.65 1nsw h ASP 17 Cb 1.25 -0.23 -0.02 0.00 -1.04 0.00 0.00 39.33 39.30 1nsw h ASP 17 CO 0.30 0.86 0.93 0.61 -2.04 0.00 0.00 179.24 179.90 1nsw n GLY 18 N -0.73 -0.01 3.68 7.15 0.00 -1.26 -3.10 105.19 110.92 1nsw n GLY 18 Ca 0.04 0.94 -0.42 0.00 0.00 0.00 0.00 46.02 46.58 1nsw n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nsw s PRO 19 N 4.17 4.18 -0.10 1.61 0.02 -1.26 -4.72 135.00 138.90 1nsw s PRO 19 Ca 1.00 2.41 0.01 0.00 0.02 0.00 0.00 61.00 64.43 1nsw s PRO 19 Cb -1.32 -3.68 0.02 0.00 0.02 0.00 0.00 34.50 29.54 1nsw s PRO 19 CO 0.64 -0.79 -0.09 0.08 -0.33 0.00 0.00 177.00 176.51 1nsw s VAL 20 N 2.94 1.07 -0.33 3.83 1.01 -0.03 -1.76 120.40 127.12 1nsw s VAL 20 Ca 0.77 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 1nsw s VAL 20 Cb -0.41 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1nsw s VAL 20 CO 0.34 0.36 0.28 -0.22 0.00 0.00 0.00 175.10 175.86 1nsw s LEU 21 N 1.30 4.43 -0.22 3.92 2.96 -0.17 -0.41 118.68 130.50 1nsw s LEU 21 Ca -0.03 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.50 1nsw s LEU 21 Cb -0.14 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1nsw s LEU 21 CO -0.04 -0.25 0.11 -0.69 -1.32 0.00 0.00 176.35 174.16 1nsw s VAL 22 N 1.84 4.99 -0.40 1.68 1.01 0.14 -0.61 120.40 129.06 1nsw s VAL 22 Ca 0.08 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 1nsw s VAL 22 Cb -0.17 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1nsw s VAL 22 CO 0.11 0.39 0.26 -0.62 0.00 0.00 0.00 175.10 175.24 1nsw s ASP 23 N 0.84 5.92 -0.34 3.32 2.15 0.82 -1.67 116.67 127.71 1nsw s ASP 23 Ca 0.06 -0.98 -0.23 0.00 0.43 0.00 0.00 52.55 51.83 1nsw s ASP 23 Cb -0.13 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1nsw s ASP 23 CO 0.02 -0.43 0.75 -0.36 -0.17 0.00 0.00 175.17 174.99 1nsw s PHE 24 N 1.61 3.16 0.30 -5.34 0.08 -0.48 -0.38 117.98 116.93 1nsw s PHE 24 Ca 0.03 0.62 -0.02 0.00 0.12 0.00 0.00 56.93 57.69 1nsw s PHE 24 Cb -0.19 -3.27 -0.01 0.00 -0.57 0.00 0.00 43.02 38.98 1nsw s PHE 24 CO 0.08 -0.64 0.37 1.67 -0.10 0.00 0.00 175.22 176.61 1nsw s TRP 25 N 2.95 1.12 0.00 0.36 1.48 -0.85 -3.06 118.94 120.95 1nsw s TRP 25 Ca 0.30 -1.30 -0.24 0.00 -1.06 0.00 0.00 56.10 53.79 1nsw s TRP 25 Cb -0.14 -0.26 0.05 0.00 -1.16 0.00 0.00 33.47 31.97 1nsw s TRP 25 CO 0.15 -0.98 0.54 0.00 -4.06 0.00 0.00 176.95 172.60 1nsw s ALA 26 N -3.46 -1.40 0.43 2.67 0.00 -1.26 -0.63 121.76 118.12 1nsw s ALA 26 Ca 0.33 0.81 0.22 0.00 0.00 0.00 0.00 51.96 53.33 1nsw s ALA 26 Cb 0.01 0.19 1.27 0.00 0.00 0.00 0.00 23.12 24.60 1nsw s ALA 26 CO 0.19 -0.42 2.04 0.00 0.00 0.00 0.00 175.76 177.57 1nsw h ALA 27 N 3.04 1.45 0.00 0.00 0.00 -2.01 -2.57 119.26 119.17 1nsw h ALA 27 Ca -0.29 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1nsw h ALA 27 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1nsw h ALA 27 CO 0.40 0.18 0.00 -2.67 0.00 0.00 0.00 179.25 177.17 1nsw n TRP 28 N -3.92 0.02 -3.10 0.00 4.27 -1.26 -4.72 117.44 108.73 1nsw n TRP 28 Ca -0.02 0.01 -0.43 0.00 -3.89 0.00 0.00 57.50 53.17 1nsw n TRP 28 Cb 0.24 -0.51 -0.07 0.00 -1.36 0.00 0.00 31.31 29.61 1nsw n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1nsw h GLY 30 N 9.71 -0.46 1.74 0.00 0.00 -1.87 -2.30 103.07 109.88 1nsw h GLY 30 Ca -0.25 0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.38 1nsw h GLY 30 CO 0.90 -0.21 0.10 -2.55 0.00 0.00 0.00 176.54 174.77 1nsw h PRO 31 N -0.46 0.00 -0.39 4.80 0.11 -1.93 0.20 132.00 134.34 1nsw h PRO 31 Ca 0.02 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 1nsw h PRO 31 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1nsw h PRO 31 CO -0.10 0.00 -0.12 0.00 -0.21 0.00 0.00 178.00 177.57 1nsw h ARG 33 N 0.57 0.36 -0.31 0.00 3.08 -0.63 -2.60 114.38 114.84 1nsw h ARG 33 Ca 0.10 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1nsw h ARG 33 Cb 0.64 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1nsw h ARG 33 CO 0.04 0.71 -0.01 0.52 -1.07 0.00 0.00 179.97 180.16 1nsw h MET 34 N 0.30 0.49 0.00 0.04 2.86 -0.70 -2.90 114.93 115.02 1nsw h MET 34 Ca 0.03 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1nsw h MET 34 Cb 0.85 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1nsw h MET 34 CO 0.07 0.53 -0.40 -1.33 1.06 0.00 0.00 176.91 176.83 1nsw n MET 35 N -4.28 0.20 -0.06 1.72 2.81 -0.54 -4.24 117.12 112.73 1nsw n MET 35 Ca 0.01 0.09 -0.08 0.00 -1.81 0.00 0.00 57.70 55.91 1nsw n MET 35 Cb 0.24 -1.66 -0.01 0.00 -0.71 0.00 0.00 33.22 31.08 1nsw n MET 35 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nsw h ALA 36 N 2.65 0.22 -0.45 3.04 0.00 -1.26 -0.41 119.26 123.05 1nsw h ALA 36 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1nsw h ALA 36 Cb 0.67 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1nsw h ALA 36 CO 0.00 -0.41 0.01 -1.35 0.00 0.00 0.00 179.25 177.50 1nsw h PRO 37 N 0.09 0.73 -0.14 0.00 0.11 -1.75 -0.87 132.00 130.17 1nsw h PRO 37 Ca 0.12 -0.18 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1nsw h PRO 37 Cb 0.15 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1nsw h PRO 37 CO -0.19 0.74 0.03 0.28 -0.21 0.00 0.00 178.00 178.65 1nsw h VAL 38 N 0.69 1.20 -0.81 3.15 2.07 -1.65 -2.11 116.25 118.79 1nsw h VAL 38 Ca 0.14 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1nsw h VAL 38 Cb 0.41 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1nsw h VAL 38 CO 0.02 0.18 0.36 -0.07 0.02 0.00 0.00 177.57 178.07 1nsw h LEU 39 N 0.02 1.08 -0.29 2.57 3.38 -0.89 0.15 115.31 121.33 1nsw h LEU 39 Ca 0.04 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1nsw h LEU 39 Cb 0.25 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1nsw h LEU 39 CO 0.00 0.93 0.18 -0.33 0.09 0.00 0.00 178.44 179.30 1nsw h GLU 40 N 1.16 0.35 -0.70 1.13 5.08 -1.03 0.41 114.58 120.98 1nsw h GLU 40 Ca 0.27 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1nsw h GLU 40 Cb 0.16 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1nsw h GLU 40 CO -0.03 0.23 0.17 1.49 -1.00 0.00 0.00 179.01 179.87 1nsw h GLU 41 N 0.36 1.13 -0.41 2.33 4.57 -1.04 -2.37 114.58 119.14 1nsw h GLU 41 Ca 0.11 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 1nsw h GLU 41 Cb -0.02 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 1nsw h GLU 41 CO -0.04 0.99 0.14 0.35 -1.18 0.00 0.00 179.01 179.28 1nsw h PHE 42 N 1.07 0.65 -0.68 0.92 3.57 0.00 -1.31 116.94 121.15 1nsw h PHE 42 Ca 0.22 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1nsw h PHE 42 Cb 0.38 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1nsw h PHE 42 CO 0.03 0.59 0.44 0.00 -2.23 0.00 0.00 178.31 177.14 1nsw h ALA 43 N 0.99 0.87 -0.77 2.41 0.00 -0.03 -1.43 119.26 121.30 1nsw h ALA 43 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1nsw h ALA 43 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1nsw h ALA 43 CO -0.01 0.26 0.34 1.49 0.00 0.00 0.00 179.25 181.33 1nsw h GLU 44 N 0.90 1.14 0.00 0.00 4.81 -1.21 -1.34 114.58 118.87 1nsw h GLU 44 Ca 0.26 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1nsw h GLU 44 Cb -0.07 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1nsw h GLU 44 CO -0.07 0.91 -0.35 0.00 -0.73 0.00 0.00 179.01 178.77 1nsw h ALA 45 N 1.17 0.81 0.00 2.92 0.00 -0.79 -3.34 119.26 120.04 1nsw h ALA 45 Ca 0.26 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1nsw h ALA 45 Cb 0.18 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 1nsw h ALA 45 CO -0.03 0.44 -0.54 0.72 0.00 0.00 0.00 179.25 179.84 1nsw n HIS 46 N -3.24 0.00 -0.11 0.00 8.25 -0.58 -4.84 115.22 114.70 1nsw n HIS 46 Ca 0.02 -1.02 0.26 0.00 -0.26 0.00 0.00 57.72 56.72 1nsw n HIS 46 Cb 0.63 -0.19 0.72 0.00 1.12 0.00 0.00 29.99 32.27 1nsw n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nsw h ALA 47 N 0.72 2.68 0.00 -1.41 0.00 -1.37 0.76 119.26 120.65 1nsw h ALA 47 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nsw h ALA 47 Cb 1.26 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1nsw h ALA 47 CO 0.02 -1.00 0.00 0.38 0.00 0.00 0.00 179.25 178.65 1nsw h ASP 48 N 0.00 0.00 0.00 0.00 2.03 -1.88 -3.34 116.42 113.23 1nsw h ASP 48 Ca 0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.67 1nsw h ASP 48 Cb 1.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 1nsw h ASP 48 CO -0.00 0.00 -1.04 0.29 -1.03 0.00 0.00 179.24 177.46 1nsw n LYS 49 N -3.08 1.76 -3.57 4.15 5.02 0.13 -5.05 118.16 117.52 1nsw n LYS 49 Ca 0.03 -0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 56.10 1nsw n LYS 49 Cb 0.47 -1.11 -0.07 0.00 -0.02 0.00 0.00 35.03 34.30 1nsw n LYS 49 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1nsw s VAL 50 N -2.36 0.01 -0.19 -0.18 0.11 -0.45 -4.73 120.40 112.61 1nsw s VAL 50 Ca -0.01 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 58.93 1nsw s VAL 50 Cb 0.07 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1nsw s VAL 50 CO 0.40 -0.04 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.23 1nsw s THR 51 N -0.96 3.86 -0.24 5.04 2.01 -0.72 -4.15 115.64 120.47 1nsw s THR 51 Ca -0.10 -0.35 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 1nsw s THR 51 Cb -0.01 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1nsw s THR 51 CO 0.08 0.44 0.34 -0.69 -0.69 0.00 0.00 174.62 174.10 1nsw s VAL 52 N 0.88 5.21 0.13 3.82 1.01 -1.26 -1.00 120.40 129.19 1nsw s VAL 52 Ca 0.00 0.54 0.09 0.00 0.00 0.00 0.00 61.98 62.61 1nsw s VAL 52 Cb -0.14 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1nsw s VAL 52 CO 0.02 0.22 -0.17 0.00 0.00 0.00 0.00 175.10 175.16 1nsw s ALA 53 N 1.68 2.72 -0.08 5.51 0.00 0.22 -1.98 121.76 129.83 1nsw s ALA 53 Ca 0.15 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.76 1nsw s ALA 53 Cb -0.15 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1nsw s ALA 53 CO 0.09 0.58 -0.14 0.15 0.00 0.00 0.00 175.76 176.44 1nsw s LYS 54 N -2.24 2.85 -0.24 0.00 1.02 -0.26 -0.13 119.74 120.74 1nsw s LYS 54 Ca 0.19 -0.69 -0.00 0.00 0.02 0.00 0.00 55.97 55.49 1nsw s LYS 54 Cb -0.10 -2.48 0.07 0.00 -0.52 0.00 0.00 37.83 34.79 1nsw s LYS 54 CO 0.11 0.46 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.82 1nsw s LEU 55 N -0.31 2.35 -0.25 3.17 1.98 0.49 -1.03 118.68 125.08 1nsw s LEU 55 Ca 0.03 -1.20 -0.29 0.00 -2.89 0.00 0.00 54.13 49.77 1nsw s LEU 55 Cb -0.13 -1.04 0.01 0.00 0.66 0.00 0.00 46.19 45.69 1nsw s LEU 55 CO 0.03 -0.28 1.13 0.21 -1.89 0.00 0.00 176.35 175.55 1nsw s ASN 56 N 1.49 6.96 0.34 3.68 3.84 -1.26 -2.01 114.94 127.98 1nsw s ASN 56 Ca -0.02 1.31 0.08 0.00 0.21 0.00 0.00 52.86 54.44 1nsw s ASN 56 Cb -0.18 -2.54 0.60 0.00 -0.55 0.00 0.00 41.25 38.57 1nsw s ASN 56 CO -0.09 -0.81 1.79 -0.37 -2.79 0.00 0.00 177.10 174.84 1nsw h VAL 57 N 5.61 1.26 -0.46 -5.21 -1.51 -1.16 -2.08 116.25 112.71 1nsw h VAL 57 Ca -0.22 -1.23 -0.07 0.00 -1.23 0.00 0.00 66.70 63.95 1nsw h VAL 57 Cb 1.07 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 31.72 1nsw h VAL 57 CO 1.00 0.37 -0.01 0.44 -1.23 0.00 0.00 177.57 178.14 1nsw h ASP 58 N 0.19 0.74 1.13 4.19 3.32 -1.92 -3.15 116.42 120.92 1nsw h ASP 58 Ca 0.03 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1nsw h ASP 58 Cb 0.64 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1nsw h ASP 58 CO 0.05 0.81 -0.71 -0.33 -1.72 0.00 0.00 179.24 177.34 1nsw h GLU 59 N 0.71 0.00 -2.61 3.56 5.08 -1.90 -3.40 114.58 116.02 1nsw h GLU 59 Ca 0.14 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.90 1nsw h GLU 59 Cb 0.46 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.30 1nsw h GLU 59 CO 0.02 0.00 -0.77 0.09 -1.00 0.00 0.00 179.01 177.35 1nsw n ASN 60 N -2.58 1.64 0.20 1.42 3.02 -0.79 -4.87 115.26 113.29 1nsw n ASN 60 Ca 0.02 -2.91 0.05 0.00 -0.03 0.00 0.00 54.58 51.71 1nsw n ASN 60 Cb 0.51 -0.66 0.41 0.00 -0.61 0.00 0.00 39.78 39.43 1nsw n ASN 60 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1nsw h PRO 61 N 5.16 0.00 -0.01 3.52 0.11 -1.80 -3.04 132.00 135.95 1nsw h PRO 61 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1nsw h PRO 61 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1nsw h PRO 61 CO 0.59 0.34 0.00 0.93 -0.21 0.00 0.00 178.00 179.65 1nsw h GLU 62 N 0.00 0.02 -0.70 1.05 5.08 -1.92 -2.11 114.58 116.00 1nsw h GLU 62 Ca -0.00 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1nsw h GLU 62 Cb 0.71 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1nsw h GLU 62 CO 0.04 0.30 0.21 1.15 -1.00 0.00 0.00 179.01 179.72 1nsw h THR 63 N -0.26 1.26 -0.56 1.13 2.02 -1.93 -1.05 112.91 113.51 1nsw h THR 63 Ca 0.00 -0.89 0.04 0.00 0.77 0.00 0.00 66.41 66.33 1nsw h THR 63 Cb 0.29 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1nsw h THR 63 CO 0.00 0.35 0.32 0.74 0.37 0.00 0.00 175.52 177.30 1nsw h THR 64 N 1.03 1.02 0.06 3.16 2.02 -1.45 -1.87 112.91 116.88 1nsw h THR 64 Ca 0.22 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1nsw h THR 64 Cb 0.31 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1nsw h THR 64 CO -0.01 0.12 -0.03 0.28 0.37 0.00 0.00 175.52 176.25 1nsw h SER 65 N 0.63 -0.07 -0.91 4.18 0.02 -1.19 -1.88 113.55 114.33 1nsw h SER 65 Ca 0.24 -0.38 0.22 0.00 -0.84 0.00 0.00 61.79 61.03 1nsw h SER 65 Cb 0.07 0.02 -0.12 0.00 0.14 0.00 0.00 62.40 62.51 1nsw h SER 65 CO -0.12 0.35 0.42 -0.61 -1.14 0.00 0.00 176.83 175.73 1nsw h GLN 66 N -0.51 0.43 -0.64 3.45 4.15 -1.00 0.11 115.11 121.09 1nsw h GLN 66 Ca -0.01 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1nsw h GLN 66 Cb 0.44 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1nsw h GLN 66 CO 0.01 0.28 0.00 1.19 -1.93 0.00 0.00 178.83 178.39 1nsw n PHE 67 N -5.01 1.42 -4.05 3.99 3.01 -0.72 -4.96 117.46 111.14 1nsw n PHE 67 Ca 0.22 -0.53 -0.29 0.00 1.01 0.00 0.00 57.45 57.86 1nsw n PHE 67 Cb 0.65 -0.29 -0.03 0.00 -0.01 0.00 0.00 39.48 39.81 1nsw n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nsw n GLY 68 N 0.84 -0.28 3.64 1.37 0.00 0.37 -4.91 105.19 106.22 1nsw n GLY 68 Ca 0.22 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 1nsw n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nsw s ILE 69 N -3.78 4.44 -0.04 -0.61 -1.09 -0.73 -4.84 121.20 114.55 1nsw s ILE 69 Ca 0.23 1.66 0.01 0.00 -2.23 0.00 0.00 60.65 60.32 1nsw s ILE 69 Cb -0.12 -4.35 -0.02 0.00 -1.58 0.00 0.00 42.46 36.39 1nsw s ILE 69 CO 0.90 -0.45 0.05 0.23 -1.23 0.00 0.00 174.94 174.44 1nsw n MET 70 N 6.92 4.11 -3.97 2.79 2.81 -1.26 -4.87 117.12 123.64 1nsw n MET 70 Ca 0.13 -0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.82 1nsw n MET 70 Cb 0.47 -0.74 -0.17 0.00 -0.71 0.00 0.00 33.22 32.07 1nsw n MET 70 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1nsw s SER 71 N -1.52 0.82 0.11 7.83 0.15 -1.26 -5.15 113.70 114.68 1nsw s SER 71 Ca 0.00 -0.07 0.09 0.00 0.70 0.00 0.00 55.95 56.68 1nsw s SER 71 Cb 0.01 -0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 63.95 1nsw s SER 71 CO 0.06 -0.11 -0.23 0.27 1.20 0.00 0.00 173.24 174.43 1nsw s ILE 72 N 1.18 1.92 0.46 6.45 -4.36 -1.26 -3.98 121.20 121.61 1nsw s ILE 72 Ca -0.07 -1.61 -0.22 0.00 -0.26 0.00 0.00 60.65 58.49 1nsw s ILE 72 Cb -0.14 -1.72 -0.08 0.00 1.25 0.00 0.00 42.46 41.77 1nsw s ILE 72 CO -0.02 0.01 1.09 -2.16 0.24 0.00 0.00 174.94 174.11 1nsw s PRO 73 N -1.92 3.84 -0.00 0.37 0.04 -1.26 -4.88 135.00 131.19 1nsw s PRO 73 Ca 0.09 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.72 1nsw s PRO 73 Cb -0.10 -2.33 -0.00 0.00 0.04 0.00 0.00 34.50 32.11 1nsw s PRO 73 CO 0.05 -0.43 -0.02 0.99 0.04 0.00 0.00 177.00 177.62 1nsw s THR 74 N -1.71 0.17 -0.04 1.26 2.01 -1.17 -1.01 115.64 115.15 1nsw s THR 74 Ca 0.64 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.61 1nsw s THR 74 Cb -0.23 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 1nsw s THR 74 CO 0.28 0.05 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.27 1nsw s LEU 75 N -0.01 2.19 -0.09 4.42 1.43 -0.06 -1.38 118.68 125.18 1nsw s LEU 75 Ca 0.00 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1nsw s LEU 75 Cb -0.01 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.83 1nsw s LEU 75 CO -0.00 0.29 -0.10 -0.63 0.23 0.00 0.00 176.35 176.13 1nsw s ILE 76 N -0.42 1.11 -0.23 -0.59 1.01 -0.67 -0.10 121.20 121.31 1nsw s ILE 76 Ca 0.04 -0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 1nsw s ILE 76 Cb -0.12 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1nsw s ILE 76 CO 0.01 0.37 0.27 -0.22 0.00 0.00 0.00 174.94 175.36 1nsw s LEU 77 N 1.16 4.12 -0.12 2.97 2.96 0.90 -0.68 118.68 129.99 1nsw s LEU 77 Ca -0.05 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1nsw s LEU 77 Cb -0.14 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 1nsw s LEU 77 CO -0.02 -0.01 0.01 -0.36 -1.32 0.00 0.00 176.35 174.65 1nsw s PHE 78 N 1.27 3.18 -0.03 5.38 0.08 0.45 -0.25 117.98 128.07 1nsw s PHE 78 Ca 0.12 0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.26 1nsw s PHE 78 Cb -0.14 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1nsw s PHE 78 CO 0.07 0.33 0.06 0.21 -0.10 0.00 0.00 175.22 175.79 1nsw s LYS 79 N -0.43 0.03 -1.89 0.44 2.20 -0.55 -0.85 119.74 118.69 1nsw s LYS 79 Ca 0.08 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1nsw s LYS 79 Cb -0.12 -0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.10 1nsw s LYS 79 CO 0.02 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 1nsw n GLY 80 N 3.62 0.57 2.11 5.54 0.00 -1.18 -1.80 105.19 114.06 1nsw n GLY 80 Ca -0.20 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1nsw n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nsw n GLY 81 N -0.80 0.47 3.07 -0.02 0.00 -0.89 -4.80 105.19 102.21 1nsw n GLY 81 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 1nsw n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nsw s ARG 82 N -0.17 0.79 0.11 1.61 1.81 -0.74 -4.81 118.95 117.55 1nsw s ARG 82 Ca 0.00 -0.52 -0.31 0.00 -1.72 0.00 0.00 55.73 53.18 1nsw s ARG 82 Cb 0.00 -0.75 -0.09 0.00 -0.45 0.00 0.00 34.95 33.67 1nsw s ARG 82 CO 0.00 0.19 1.54 -1.25 -0.68 0.00 0.00 175.30 175.10 1nsw s PRO 83 N -0.68 4.24 -0.01 3.54 0.04 -1.26 -1.48 135.00 139.39 1nsw s PRO 83 Ca 0.01 2.25 0.06 0.00 0.04 0.00 0.00 61.00 63.36 1nsw s PRO 83 Cb -0.06 -3.34 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 1nsw s PRO 83 CO 0.00 -0.60 0.13 1.33 0.04 0.00 0.00 177.00 177.90 1nsw n VAL 84 N 4.24 0.00 -3.70 -0.36 0.24 0.66 -4.92 118.33 114.48 1nsw n VAL 84 Ca 0.14 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 1nsw n VAL 84 Cb 0.40 0.41 -0.09 0.00 -1.47 0.00 0.00 33.84 33.09 1nsw n VAL 84 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1nsw s LYS 85 N -2.34 0.60 -0.02 7.34 2.20 -1.16 -4.99 119.74 121.37 1nsw s LYS 85 Ca -0.02 0.58 0.07 0.00 -0.36 0.00 0.00 55.97 56.24 1nsw s LYS 85 Cb 0.04 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.63 1nsw s LYS 85 CO 0.23 -0.09 -0.22 -0.65 -0.36 0.00 0.00 175.35 174.26 1nsw s GLN 86 N 0.06 1.83 -0.13 4.03 -0.21 -1.26 -0.07 119.66 123.90 1nsw s GLN 86 Ca -0.02 -0.80 0.01 0.00 0.02 0.00 0.00 55.36 54.57 1nsw s GLN 86 Cb -0.03 -1.76 0.02 0.00 1.00 0.00 0.00 33.01 32.24 1nsw s GLN 86 CO 0.01 0.48 -0.14 -0.51 -2.12 0.00 0.00 175.29 173.01 1nsw s LEU 87 N -0.51 1.68 -0.19 2.90 1.43 0.86 -4.96 118.68 119.90 1nsw s LEU 87 Ca 0.08 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1nsw s LEU 87 Cb -0.09 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1nsw s LEU 87 CO -0.01 -0.03 0.09 -0.63 0.23 0.00 0.00 176.35 176.00 1nsw s ILE 88 N 1.33 5.04 0.00 -0.59 1.01 -1.26 -0.88 121.20 125.85 1nsw s ILE 88 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1nsw s ILE 88 Cb -0.13 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1nsw s ILE 88 CO -0.08 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.93 1nsw n GLY 89 N 3.47 0.28 3.67 6.18 0.00 -0.18 -4.94 105.19 113.68 1nsw n GLY 89 Ca -0.16 -1.84 -0.46 0.00 0.00 0.00 0.00 46.02 43.56 1nsw n GLY 89 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nsw n TYR 90 N 0.56 2.30 -4.04 1.61 9.36 -1.26 -4.83 117.16 120.85 1nsw n TYR 90 Ca 0.00 0.24 -0.31 0.00 3.32 0.00 0.00 57.90 61.15 1nsw n TYR 90 Cb 0.00 -2.56 -0.16 0.00 -0.63 0.00 0.00 39.34 36.00 1nsw n TYR 90 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1nsw s GLN 91 N 1.06 2.24 0.93 2.98 -1.52 -1.26 -5.09 119.66 119.00 1nsw s GLN 91 Ca 0.79 -1.05 -0.12 0.00 -1.95 0.00 0.00 55.36 53.03 1nsw s GLN 91 Cb -0.67 -2.65 0.15 0.00 -0.22 0.00 0.00 33.01 29.63 1nsw s GLN 91 CO 0.38 -0.46 1.10 -1.25 -0.25 0.00 0.00 175.29 174.81 1nsw s PRO 92 N 1.26 0.95 0.21 2.91 0.04 -1.26 -4.67 135.00 134.43 1nsw s PRO 92 Ca -0.04 0.56 -0.16 0.00 0.04 0.00 0.00 61.00 61.41 1nsw s PRO 92 Cb -0.17 -1.79 0.22 0.00 0.04 0.00 0.00 34.50 32.79 1nsw s PRO 92 CO -0.08 -2.39 1.61 -0.22 0.04 0.00 0.00 177.00 175.96 1nsw h LYS 93 N -1.65 -0.06 -0.93 4.56 3.64 -1.99 -1.52 116.57 118.62 1nsw h LYS 93 Ca -0.52 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1nsw h LYS 93 Cb 1.31 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.09 1nsw h LYS 93 CO 0.58 -0.04 0.60 0.93 -2.27 0.00 0.00 179.45 179.25 1nsw h GLU 94 N -0.06 1.09 -0.01 1.90 5.08 -1.99 -0.66 114.58 119.92 1nsw h GLU 94 Ca 0.29 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1nsw h GLU 94 Cb 0.52 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1nsw h GLU 94 CO -0.69 0.72 -0.00 1.96 -1.00 0.00 0.00 179.01 180.00 1nsw h GLN 95 N 1.13 0.03 -0.29 2.33 1.08 -1.70 -0.95 115.11 116.73 1nsw h GLN 95 Ca 0.39 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.64 1nsw h GLN 95 Cb 0.09 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.46 1nsw h GLN 95 CO -0.15 0.39 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.97 1nsw h LEU 96 N -0.34 -0.31 -0.11 1.46 3.38 -1.11 0.69 115.31 118.96 1nsw h LEU 96 Ca 0.00 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1nsw h LEU 96 Cb 0.38 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1nsw h LEU 96 CO 0.00 -0.11 -0.13 -0.33 0.09 0.00 0.00 178.44 177.96 1nsw h GLU 97 N -0.02 -0.16 -0.15 1.13 5.08 -1.08 0.44 114.58 119.82 1nsw h GLU 97 Ca 0.14 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1nsw h GLU 97 Cb 0.24 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1nsw h GLU 97 CO -0.31 -0.11 0.07 0.00 -1.00 0.00 0.00 179.01 177.67 1nsw h ALA 98 N 0.89 0.20 -0.34 3.43 0.00 -0.49 -2.04 119.26 120.90 1nsw h ALA 98 Ca 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1nsw h ALA 98 Cb 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1nsw h ALA 98 CO -0.21 -0.25 -0.00 1.96 0.00 0.00 0.00 179.25 180.75 1nsw h GLN 99 N 0.12 0.54 -0.50 0.00 1.08 0.55 -2.99 115.11 113.91 1nsw h GLN 99 Ca 0.05 -0.12 -0.07 0.00 -1.45 0.00 0.00 58.65 57.07 1nsw h GLN 99 Cb 0.11 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 1nsw h GLN 99 CO -0.01 0.56 0.07 1.28 -0.95 0.00 0.00 178.83 179.78 1nsw n LEU 100 N -4.28 5.12 -0.14 1.46 4.77 0.13 -4.55 117.00 119.51 1nsw n LEU 100 Ca 0.02 -3.10 0.23 0.00 -0.03 0.00 0.00 56.01 53.13 1nsw n LEU 100 Cb 0.25 -0.65 0.65 0.00 -2.33 0.00 0.00 43.42 41.33 1nsw n LEU 100 CO 0.39 0.73 1.23 0.00 -1.33 0.00 0.00 177.39 178.41 1nsw h ALA 101 N 2.71 2.55 0.39 -1.18 0.00 -1.22 -1.67 119.26 120.85 1nsw h ALA 101 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nsw h ALA 101 Cb 1.88 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1nsw h ALA 101 CO 0.46 -0.77 -0.25 0.38 0.00 0.00 0.00 179.25 179.07 1nsw h ASP 102 N 0.13 -0.64 -0.01 0.00 2.03 -1.86 -2.64 116.42 113.43 1nsw h ASP 102 Ca 0.38 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.72 1nsw h ASP 102 Cb 1.32 0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 40.01 1nsw h ASP 102 CO -0.05 -0.38 0.02 1.62 -1.03 0.00 0.00 179.24 179.42 1nsw h VAL 103 N -0.60 0.39 0.00 4.15 3.04 -1.83 -2.22 116.25 119.18 1nsw h VAL 103 Ca -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1nsw h VAL 103 Cb 0.49 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1nsw h VAL 103 CO 0.05 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.79 1nsw n LEU 104 N -3.65 0.36 -0.87 3.16 4.77 -0.66 -4.71 117.00 115.39 1nsw n LEU 104 Ca -0.03 -0.18 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1nsw n LEU 104 Cb 0.10 -0.18 0.18 0.00 -2.33 0.00 0.00 43.42 41.19 1nsw n LEU 104 CO 0.25 0.09 0.68 0.00 -1.33 0.00 0.00 177.39 177.08