#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 0.00 -4.23 0.00 -1.04 -1.26 -4.93 114.28 102.82 1nsw n THR 2 Ca 0.00 0.66 -0.17 0.00 -2.04 0.00 0.00 64.05 62.50 1nsw n THR 2 Cb 0.00 -1.64 -0.11 0.00 -1.82 0.00 0.00 70.33 66.77 1nsw n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nsw s MET 3 N -1.31 1.00 -0.25 -2.82 0.00 -0.66 -5.04 119.30 110.23 1nsw s MET 3 Ca 0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 55.69 54.37 1nsw s MET 3 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 34.83 33.97 1nsw s MET 3 CO 0.00 0.15 0.09 0.99 0.00 0.00 0.00 175.02 176.25 1nsw s THR 4 N -2.26 4.52 0.12 3.16 2.01 -1.26 -0.49 115.64 121.44 1nsw s THR 4 Ca 0.09 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.01 1nsw s THR 4 Cb -0.04 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1nsw s THR 4 CO 0.02 0.33 0.21 -0.76 -0.69 0.00 0.00 174.62 173.74 1nsw s LEU 5 N 1.53 4.15 0.19 4.42 1.43 0.41 -4.92 118.68 125.89 1nsw s LEU 5 Ca 0.06 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1nsw s LEU 5 Cb -0.15 -2.75 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 1nsw s LEU 5 CO 0.05 0.10 0.18 0.42 0.23 0.00 0.00 176.35 177.32 1nsw s THR 6 N -1.65 0.03 0.46 5.49 -4.23 -1.26 -4.49 115.64 109.98 1nsw s THR 6 Ca 0.33 -1.85 0.13 0.00 -1.18 0.00 0.00 61.69 59.12 1nsw s THR 6 Cb -0.11 -2.31 0.30 0.00 1.34 0.00 0.00 72.50 71.72 1nsw s THR 6 CO 0.26 -0.12 2.06 0.44 -0.54 0.00 0.00 174.62 176.72 1nsw h ASP 7 N 2.61 0.27 -0.02 3.99 3.32 -1.90 -0.33 116.42 124.37 1nsw h ASP 7 Ca -0.34 -0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.49 1nsw h ASP 7 Cb 1.24 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.73 1nsw h ASP 7 CO 0.51 0.18 -0.77 0.00 -1.72 0.00 0.00 179.24 177.44 1nsw h ALA 8 N 1.80 0.39 -0.02 3.45 0.00 -1.98 -3.35 119.26 119.55 1nsw h ALA 8 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1nsw h ALA 8 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1nsw h ALA 8 CO -0.03 0.71 -0.05 0.27 0.00 0.00 0.00 179.25 180.15 1nsw n ASN 9 N -3.90 2.51 0.12 0.00 0.23 -1.02 -4.72 115.26 108.48 1nsw n ASN 9 Ca -0.07 -1.75 -0.13 0.00 -0.53 0.00 0.00 54.58 52.10 1nsw n ASN 9 Cb 0.74 0.06 -0.06 0.00 -2.08 0.00 0.00 39.78 38.44 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 3.58 -0.93 -0.37 -2.53 3.57 -1.20 0.66 116.94 119.72 1nsw h PHE 10 Ca 0.00 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.60 1nsw h PHE 10 Cb 0.79 0.39 -0.08 0.00 2.79 0.00 0.00 35.95 39.84 1nsw h PHE 10 CO 0.00 -0.45 -0.13 1.96 -2.23 0.00 0.00 178.31 177.47 1nsw h GLN 11 N -0.57 -0.04 0.05 1.11 4.20 -1.84 -2.38 115.11 115.63 1nsw h GLN 11 Ca 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1nsw h GLN 11 Cb 0.60 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1nsw h GLN 11 CO -0.20 -0.03 -0.02 1.96 -0.67 0.00 0.00 178.83 179.87 1nsw h GLN 12 N -0.05 -0.06 0.00 1.46 4.20 -1.88 -3.29 115.11 115.49 1nsw h GLN 12 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1nsw h GLN 12 Cb 0.32 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1nsw h GLN 12 CO -0.41 0.47 0.03 0.00 -0.67 0.00 0.00 178.83 178.25 1nsw n ALA 13 N -2.42 0.99 -1.39 3.87 0.00 0.22 -2.27 120.51 119.52 1nsw n ALA 13 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.43 1nsw n ALA 13 Cb 0.28 -0.92 0.14 0.00 0.00 0.00 0.00 19.45 18.95 1nsw n ALA 13 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1nsw n ILE 14 N -1.39 1.70 -3.41 0.00 3.06 -0.91 -5.04 119.36 113.37 1nsw n ILE 14 Ca 0.00 -2.26 -0.28 0.00 -2.50 0.00 0.00 62.75 57.71 1nsw n ILE 14 Cb 0.03 -0.10 -0.03 0.00 0.54 0.00 0.00 39.64 40.08 1nsw n ILE 14 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 1nsw s GLN 15 N -2.55 3.59 0.00 9.51 0.74 -0.96 -3.77 119.66 126.22 1nsw s GLN 15 Ca 0.31 -0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.62 1nsw s GLN 15 Cb 0.28 -2.68 0.00 0.00 1.10 0.00 0.00 33.01 31.71 1nsw s GLN 15 CO -0.01 0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.38 1nsw n GLY 16 N -0.98 0.10 0.04 2.59 0.00 -1.26 -4.58 105.19 101.09 1nsw n GLY 16 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1nsw n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nsw n ASP 17 N 0.42 0.00 0.00 1.61 9.92 -1.26 -4.34 116.55 122.90 1nsw n ASP 17 Ca 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1nsw n ASP 17 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1nsw n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nsw n GLY 18 N 0.04 2.32 3.77 0.44 0.00 -1.26 -5.04 105.19 105.46 1nsw n GLY 18 Ca 0.00 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 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 -4.71 4.18 -0.10 1.61 0.02 -1.26 -4.79 135.00 129.96 1nsw s PRO 19 Ca 0.00 2.47 0.02 0.00 0.02 0.00 0.00 61.00 63.50 1nsw s PRO 19 Cb 0.00 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.52 1nsw s PRO 19 CO 0.00 -0.47 -0.13 0.08 -0.33 0.00 0.00 177.00 176.15 1nsw s VAL 20 N -0.81 1.32 -0.38 3.83 1.01 -0.57 -1.34 120.40 123.46 1nsw s VAL 20 Ca 0.54 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 1nsw s VAL 20 Cb -0.45 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1nsw s VAL 20 CO 0.56 0.40 0.26 -0.22 0.00 0.00 0.00 175.10 176.10 1nsw s LEU 21 N 0.99 4.81 -0.19 3.92 2.96 0.72 -0.54 118.68 131.35 1nsw s LEU 21 Ca -0.07 -0.75 -0.15 0.00 -0.22 0.00 0.00 54.13 52.93 1nsw s LEU 21 Cb -0.15 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 1nsw s LEU 21 CO -0.01 -0.36 0.37 -0.69 -1.32 0.00 0.00 176.35 174.34 1nsw s VAL 22 N 1.67 5.23 -0.28 1.68 1.01 0.43 -0.34 120.40 129.80 1nsw s VAL 22 Ca 0.05 0.66 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 1nsw s VAL 22 Cb -0.18 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1nsw s VAL 22 CO 0.09 0.29 0.10 -0.62 0.00 0.00 0.00 175.10 174.96 1nsw s ASP 23 N 0.89 5.23 -0.40 3.32 2.15 0.73 -1.74 116.67 126.84 1nsw s ASP 23 Ca 0.18 -0.49 -0.22 0.00 0.43 0.00 0.00 52.55 52.45 1nsw s ASP 23 Cb -0.14 -1.93 0.01 0.00 -0.30 0.00 0.00 42.92 40.57 1nsw s ASP 23 CO 0.07 -0.14 0.70 -0.36 -0.17 0.00 0.00 175.17 175.27 1nsw s PHE 24 N 1.57 3.08 0.25 -5.34 0.40 -0.08 -1.32 117.98 116.54 1nsw s PHE 24 Ca 0.04 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.65 1nsw s PHE 24 Cb -0.16 -3.37 -0.05 0.00 0.51 0.00 0.00 43.02 39.94 1nsw s PHE 24 CO 0.04 -0.79 0.05 1.67 0.70 0.00 0.00 175.22 176.88 1nsw s TRP 25 N 2.96 1.57 0.02 0.36 1.48 -0.51 -2.66 118.94 122.17 1nsw s TRP 25 Ca 0.27 -1.04 0.01 0.00 -1.06 0.00 0.00 56.10 54.27 1nsw s TRP 25 Cb -0.14 -0.93 -0.02 0.00 -1.16 0.00 0.00 33.47 31.22 1nsw s TRP 25 CO 0.18 -0.17 -0.04 0.00 -4.06 0.00 0.00 176.95 172.86 1nsw s ALA 26 N -3.56 0.25 0.42 2.67 0.00 -1.26 -0.60 121.76 119.67 1nsw s ALA 26 Ca 0.33 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.79 1nsw s ALA 26 Cb 0.07 0.10 0.88 0.00 0.00 0.00 0.00 23.12 24.17 1nsw s ALA 26 CO 0.11 -0.10 2.06 0.00 0.00 0.00 0.00 175.76 177.84 1nsw h ALA 27 N 4.79 1.73 0.00 0.00 0.00 -2.00 -2.57 119.26 121.21 1nsw h ALA 27 Ca -0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1nsw h ALA 27 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1nsw h ALA 27 CO 0.42 0.25 -0.28 -2.67 0.00 0.00 0.00 179.25 176.98 1nsw n TRP 28 N -4.48 0.58 -2.04 0.00 4.27 -1.26 -4.88 117.44 109.63 1nsw n TRP 28 Ca 0.03 0.17 -0.43 0.00 -3.89 0.00 0.00 57.50 53.38 1nsw n TRP 28 Cb 0.06 -0.71 -0.03 0.00 -1.36 0.00 0.00 31.31 29.28 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 11.66 -0.11 2.00 0.00 0.00 -1.89 -3.11 103.07 111.62 1nsw h GLY 30 Ca -0.36 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1nsw h GLY 30 CO 0.99 -0.04 -0.00 -2.55 0.00 0.00 0.00 176.54 174.94 1nsw h PRO 31 N -0.54 0.00 -0.16 4.80 0.11 -1.92 -0.55 132.00 133.74 1nsw h PRO 31 Ca -0.01 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 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 0.02 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 177.74 1nsw h ARG 33 N 0.23 0.86 -0.10 0.00 3.08 -1.05 0.02 114.38 117.42 1nsw h ARG 33 Ca 0.05 -0.42 -0.12 0.00 0.07 0.00 0.00 59.98 59.56 1nsw h ARG 33 Cb 0.27 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1nsw h ARG 33 CO 0.01 1.06 -0.48 0.52 -1.07 0.00 0.00 179.97 180.02 1nsw h MET 34 N 0.72 0.26 0.00 0.04 2.86 -1.16 -3.17 114.93 114.48 1nsw h MET 34 Ca 0.07 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1nsw h MET 34 Cb 0.90 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1nsw h MET 34 CO 0.08 0.69 -0.39 0.52 1.06 0.00 0.00 176.91 178.87 1nsw h MET 35 N 0.21 0.00 -0.36 1.72 2.86 -0.44 -3.38 114.93 115.54 1nsw h MET 35 Ca 0.01 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 1nsw h MET 35 Cb 0.92 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.50 1nsw h MET 35 CO 0.08 0.39 -0.29 0.00 1.06 0.00 0.00 176.91 178.15 1nsw h ALA 36 N 1.61 -0.13 -0.08 6.32 0.00 -0.96 -0.82 119.26 125.19 1nsw h ALA 36 Ca -0.00 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1nsw h ALA 36 Cb 1.28 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1nsw h ALA 36 CO 0.05 -0.69 -0.34 -1.00 0.00 0.00 0.00 179.25 177.27 1nsw h PRO 37 N -0.24 0.16 -0.64 0.00 0.13 -1.77 -1.14 132.00 128.51 1nsw h PRO 37 Ca 0.17 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 1nsw h PRO 37 Cb 0.51 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.61 1nsw h PRO 37 CO -0.50 0.49 0.25 0.28 -0.23 0.00 0.00 178.00 178.29 1nsw h VAL 38 N 0.14 1.24 -0.13 1.56 2.07 -1.51 -0.27 116.25 119.35 1nsw h VAL 38 Ca 0.02 -0.74 -0.21 0.00 0.82 0.00 0.00 66.70 66.59 1nsw h VAL 38 Cb 0.67 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1nsw h VAL 38 CO 0.05 0.29 -0.75 -0.07 0.02 0.00 0.00 177.57 177.11 1nsw h LEU 39 N 0.89 0.78 -0.26 2.57 3.38 -1.02 -1.02 115.31 120.64 1nsw h LEU 39 Ca 0.21 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1nsw h LEU 39 Cb 0.21 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1nsw h LEU 39 CO -0.02 1.29 0.07 -0.33 0.09 0.00 0.00 178.44 179.54 1nsw h GLU 40 N 0.46 0.18 -0.65 1.13 5.08 -0.94 0.75 114.58 120.59 1nsw h GLU 40 Ca -0.04 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1nsw h GLU 40 Cb 1.36 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 1nsw h GLU 40 CO 0.15 0.12 0.27 1.49 -1.00 0.00 0.00 179.01 180.03 1nsw h GLU 41 N 0.18 0.94 -0.39 2.33 4.81 -1.02 -1.70 114.58 119.74 1nsw h GLU 41 Ca 0.12 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1nsw h GLU 41 Cb 0.10 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1nsw h GLU 41 CO -0.13 0.76 0.11 0.35 -0.73 0.00 0.00 179.01 179.37 1nsw h PHE 42 N 0.93 0.65 -0.49 0.92 3.57 -0.69 -0.21 116.94 121.60 1nsw h PHE 42 Ca 0.22 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1nsw h PHE 42 Cb 0.17 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1nsw h PHE 42 CO 0.01 0.61 0.32 0.00 -2.23 0.00 0.00 178.31 177.03 1nsw h ALA 43 N 0.96 0.63 -0.43 2.41 0.00 -0.45 -1.16 119.26 121.21 1nsw h ALA 43 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nsw h ALA 43 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1nsw h ALA 43 CO -0.00 0.05 0.14 0.93 0.00 0.00 0.00 179.25 180.37 1nsw h GLU 44 N 0.65 0.67 0.00 0.00 5.08 -1.14 -1.53 114.58 118.31 1nsw h GLU 44 Ca 0.18 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1nsw h GLU 44 Cb -0.06 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1nsw h GLU 44 CO -0.05 0.65 -0.17 0.00 -1.00 0.00 0.00 179.01 178.44 1nsw h ALA 45 N 0.99 1.06 -0.52 3.43 0.00 -0.71 -3.28 119.26 120.23 1nsw h ALA 45 Ca 0.14 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1nsw h ALA 45 Cb 0.25 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.61 1nsw h ALA 45 CO -0.01 0.21 -1.00 0.72 0.00 0.00 0.00 179.25 179.17 1nsw n HIS 46 N -3.37 1.70 0.12 0.00 8.25 -0.47 -4.87 115.22 116.59 1nsw n HIS 46 Ca -0.00 -2.10 0.01 0.00 -0.26 0.00 0.00 57.72 55.37 1nsw n HIS 46 Cb 0.37 -0.27 0.07 0.00 1.12 0.00 0.00 29.99 31.28 1nsw n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nsw n ALA 47 N -0.61 1.36 0.02 -1.41 0.00 -0.58 -1.52 120.51 117.77 1nsw n ALA 47 Ca 0.20 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.63 1nsw n ALA 47 Cb 0.87 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 19.28 1nsw n ALA 47 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nsw n ASP 48 N -1.25 1.43 -0.05 0.00 5.68 -1.26 -4.55 116.55 116.55 1nsw n ASP 48 Ca 0.01 -1.37 -0.06 0.00 -0.50 0.00 0.00 54.79 52.88 1nsw n ASP 48 Cb 0.02 -0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 39.93 1nsw n ASP 48 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1nsw n LYS 49 N -0.10 1.79 -3.52 0.11 4.01 -0.58 -5.08 118.16 114.79 1nsw n LYS 49 Ca 0.01 0.02 -0.12 0.00 -0.51 0.00 0.00 58.31 57.71 1nsw n LYS 49 Cb 0.11 -1.23 -0.03 0.00 -0.51 0.00 0.00 35.03 33.37 1nsw n LYS 49 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1nsw s VAL 50 N -2.22 0.03 -0.14 -0.18 0.11 -0.81 -4.41 120.40 112.77 1nsw s VAL 50 Ca -0.08 -0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 58.71 1nsw s VAL 50 Cb 0.03 -1.05 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1nsw s VAL 50 CO 0.33 -0.13 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.02 1nsw s THR 51 N -3.52 3.70 -0.09 5.04 2.01 -0.45 -4.35 115.64 117.98 1nsw s THR 51 Ca 0.00 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 1nsw s THR 51 Cb 0.00 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 1nsw s THR 51 CO -0.10 0.51 0.42 -0.69 -0.69 0.00 0.00 174.62 174.06 1nsw s VAL 52 N 0.25 5.16 0.02 3.82 1.01 -1.26 -0.20 120.40 129.21 1nsw s VAL 52 Ca -0.04 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.84 1nsw s VAL 52 Cb -0.14 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1nsw s VAL 52 CO 0.03 0.42 -0.21 0.00 0.00 0.00 0.00 175.10 175.34 1nsw s ALA 53 N 0.07 1.79 -0.14 5.51 0.00 0.53 -1.65 121.76 127.88 1nsw s ALA 53 Ca 0.23 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1nsw s ALA 53 Cb -0.15 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1nsw s ALA 53 CO 0.10 0.42 -0.09 0.15 0.00 0.00 0.00 175.76 176.34 1nsw s LYS 54 N -0.90 3.46 -0.26 0.00 1.02 0.36 -0.19 119.74 123.23 1nsw s LYS 54 Ca 0.08 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.47 1nsw s LYS 54 Cb -0.09 -2.75 0.07 0.00 -0.52 0.00 0.00 37.83 34.55 1nsw s LYS 54 CO 0.01 0.26 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.51 1nsw s LEU 55 N 0.27 2.74 -0.46 3.17 1.98 -0.44 -0.45 118.68 125.49 1nsw s LEU 55 Ca -0.06 -1.34 -0.29 0.00 -2.89 0.00 0.00 54.13 49.54 1nsw s LEU 55 Cb -0.15 -1.17 0.03 0.00 0.66 0.00 0.00 46.19 45.56 1nsw s LEU 55 CO 0.04 -0.28 1.12 0.21 -1.89 0.00 0.00 176.35 175.55 1nsw s ASN 56 N 1.38 6.65 0.58 3.68 2.47 -1.26 -1.42 114.94 127.03 1nsw s ASN 56 Ca -0.01 0.50 0.36 0.00 0.42 0.00 0.00 52.86 54.13 1nsw s ASN 56 Cb -0.19 -2.54 1.71 0.00 -1.45 0.00 0.00 41.25 38.78 1nsw s ASN 56 CO -0.09 -1.21 2.12 -0.37 -3.72 0.00 0.00 177.10 173.83 1nsw h VAL 57 N 6.18 0.08 -0.21 -5.21 -1.51 -1.14 -2.26 116.25 112.19 1nsw h VAL 57 Ca -0.23 -0.37 -0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1nsw h VAL 57 Cb 1.06 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 1nsw h VAL 57 CO 1.11 0.02 0.12 0.44 -1.23 0.00 0.00 177.57 178.04 1nsw h ASP 58 N 0.00 0.24 -0.00 4.19 3.32 -1.91 -3.08 116.42 119.18 1nsw h ASP 58 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1nsw h ASP 58 Cb 0.34 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1nsw h ASP 58 CO 0.00 0.19 -0.05 -0.62 -1.72 0.00 0.00 179.24 177.03 1nsw n GLU 59 N -4.49 1.28 -3.36 3.56 1.02 -0.95 -4.84 120.64 112.86 1nsw n GLU 59 Ca 0.00 -0.57 -0.26 0.00 -0.02 0.00 0.00 57.16 56.31 1nsw n GLU 59 Cb 0.08 -0.98 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 1nsw n GLU 59 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nsw n ASN 60 N -0.11 1.79 0.18 1.62 3.02 -0.89 -4.85 115.26 116.02 1nsw n ASN 60 Ca 0.02 -3.01 0.04 0.00 -0.03 0.00 0.00 54.58 51.61 1nsw n ASN 60 Cb 0.10 -0.65 0.30 0.00 -0.61 0.00 0.00 39.78 38.92 1nsw n ASN 60 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1nsw h PRO 61 N 4.35 0.00 0.11 3.52 0.13 -1.88 -3.05 132.00 135.18 1nsw h PRO 61 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1nsw h PRO 61 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1nsw h PRO 61 CO 0.62 0.42 -0.05 0.93 -0.23 0.00 0.00 178.00 179.69 1nsw h GLU 62 N 0.00 -0.15 -0.57 0.86 5.08 -1.95 0.11 114.58 117.97 1nsw h GLU 62 Ca -0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1nsw h GLU 62 Cb 0.95 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1nsw h GLU 62 CO 0.05 0.15 0.21 1.15 -1.00 0.00 0.00 179.01 179.58 1nsw h THR 63 N -0.45 1.23 -0.08 1.13 2.02 -1.93 0.27 112.91 115.10 1nsw h THR 63 Ca -0.02 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 1nsw h THR 63 Cb 0.37 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1nsw h THR 63 CO 0.03 0.28 0.04 0.74 0.37 0.00 0.00 175.52 176.98 1nsw h THR 64 N 0.79 1.09 -0.25 3.16 2.02 -1.50 -1.96 112.91 116.25 1nsw h THR 64 Ca 0.19 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 1nsw h THR 64 Cb 0.24 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1nsw h THR 64 CO -0.01 0.07 -0.34 -1.28 0.37 0.00 0.00 175.52 174.33 1nsw h SER 65 N 0.03 0.56 -0.99 4.18 0.87 -0.62 -2.86 113.55 114.72 1nsw h SER 65 Ca 0.03 -0.23 0.09 0.00 -1.23 0.00 0.00 61.79 60.45 1nsw h SER 65 Cb 0.08 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 61.82 1nsw h SER 65 CO -0.00 0.86 0.63 -0.61 -0.53 0.00 0.00 176.83 177.18 1nsw h GLN 66 N 0.46 1.05 -0.43 2.24 5.75 -0.10 -1.07 115.11 123.01 1nsw h GLN 66 Ca 0.05 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1nsw h GLN 66 Cb 0.81 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1nsw h GLN 66 CO 0.07 0.69 0.00 1.19 -2.65 0.00 0.00 178.83 178.13 1nsw n PHE 67 N -4.54 0.58 -3.88 3.99 3.01 -0.77 -4.94 117.46 110.91 1nsw n PHE 67 Ca 0.16 -0.27 -0.29 0.00 1.01 0.00 0.00 57.45 58.07 1nsw n PHE 67 Cb 0.25 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.71 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 1.03 -0.45 3.74 1.37 0.00 -0.41 -4.90 105.19 105.57 1nsw n GLY 68 Ca 0.13 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.39 2.26 -0.07 -0.61 -1.09 -1.10 -4.92 121.20 112.29 1nsw s ILE 69 Ca 0.52 0.21 0.05 0.00 -2.23 0.00 0.00 60.65 59.20 1nsw s ILE 69 Cb -0.26 -3.13 -0.08 0.00 -1.58 0.00 0.00 42.46 37.41 1nsw s ILE 69 CO 0.83 0.03 0.01 0.23 -1.23 0.00 0.00 174.94 174.80 1nsw n MET 70 N 2.85 2.45 -4.08 2.79 2.81 -1.26 -4.97 117.12 117.71 1nsw n MET 70 Ca 0.10 0.01 -0.12 0.00 -1.81 0.00 0.00 57.70 55.88 1nsw n MET 70 Cb 0.38 -1.17 -0.11 0.00 -0.71 0.00 0.00 33.22 31.60 1nsw n MET 70 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1nsw s SER 71 N -3.99 0.88 -0.12 7.83 1.04 -1.26 -5.14 113.70 112.93 1nsw s SER 71 Ca -0.05 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 55.75 1nsw s SER 71 Cb 0.02 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 1nsw s SER 71 CO 0.26 -0.27 -0.17 -0.63 0.98 0.00 0.00 173.24 173.41 1nsw s ILE 72 N -1.87 2.66 0.53 -1.02 -1.09 -1.26 -3.71 121.20 115.45 1nsw s ILE 72 Ca -0.06 -0.80 -0.07 0.00 -2.23 0.00 0.00 60.65 57.50 1nsw s ILE 72 Cb -0.07 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.69 1nsw s ILE 72 CO -0.01 0.53 0.86 -2.16 -1.23 0.00 0.00 174.94 172.93 1nsw s PRO 73 N 0.43 3.45 0.01 2.79 0.04 -1.26 -4.90 135.00 135.56 1nsw s PRO 73 Ca -0.12 0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.22 1nsw s PRO 73 Cb -0.16 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 1nsw s PRO 73 CO 0.06 -0.37 -0.05 0.99 0.04 0.00 0.00 177.00 177.67 1nsw s THR 74 N -2.88 0.37 -0.10 1.26 2.01 -1.09 -2.36 115.64 112.86 1nsw s THR 74 Ca 0.50 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 62.05 1nsw s THR 74 Cb -0.10 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 1nsw s THR 74 CO 0.47 -0.07 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.43 1nsw s LEU 75 N -0.58 2.67 -0.06 4.42 1.43 -0.73 -0.90 118.68 124.93 1nsw s LEU 75 Ca -0.03 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1nsw s LEU 75 Cb -0.04 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1nsw s LEU 75 CO -0.00 0.23 -0.05 -0.63 0.23 0.00 0.00 176.35 176.13 1nsw s ILE 76 N -0.04 0.62 -0.13 -0.59 1.01 -0.71 -0.89 121.20 120.47 1nsw s ILE 76 Ca -0.03 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 1nsw s ILE 76 Cb -0.14 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 1nsw s ILE 76 CO 0.04 0.26 0.37 -0.22 0.00 0.00 0.00 174.94 175.39 1nsw s LEU 77 N 1.20 4.28 -0.11 2.97 2.96 0.80 -0.43 118.68 130.36 1nsw s LEU 77 Ca -0.06 0.67 -0.00 0.00 -0.22 0.00 0.00 54.13 54.52 1nsw s LEU 77 Cb -0.14 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 1nsw s LEU 77 CO -0.02 0.09 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.65 1nsw s PHE 78 N 0.32 2.87 -0.00 5.38 0.40 0.30 0.40 117.98 127.65 1nsw s PHE 78 Ca 0.21 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1nsw s PHE 78 Cb -0.14 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 1nsw s PHE 78 CO 0.07 -0.01 -0.11 0.15 0.70 0.00 0.00 175.22 176.02 1nsw s LYS 79 N -0.00 0.85 -1.71 0.44 1.02 0.19 -1.51 119.74 119.01 1nsw s LYS 79 Ca -0.02 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1nsw s LYS 79 Cb -0.14 -0.82 0.00 0.00 -0.52 0.00 0.00 37.83 36.35 1nsw s LYS 79 CO 0.04 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 1nsw n GLY 80 N 2.69 0.86 1.98 -3.33 0.00 -1.26 -0.43 105.19 105.70 1nsw n GLY 80 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.55 0.55 3.22 -0.02 0.00 -1.25 -4.43 105.19 102.71 1nsw n GLY 81 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.04 1.37 -0.11 1.61 0.52 0.43 -4.88 118.95 117.85 1nsw s ARG 82 Ca 0.00 -0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 54.09 1nsw s ARG 82 Cb 0.00 -1.42 -0.05 0.00 0.52 0.00 0.00 34.95 34.00 1nsw s ARG 82 CO 0.00 0.37 1.67 -1.25 0.02 0.00 0.00 175.30 176.11 1nsw s PRO 83 N -0.93 4.03 -0.01 3.54 0.04 -1.26 -0.64 135.00 139.77 1nsw s PRO 83 Ca 0.07 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.22 1nsw s PRO 83 Cb -0.08 -4.02 -0.10 0.00 0.04 0.00 0.00 34.50 30.34 1nsw s PRO 83 CO 0.01 -1.03 0.18 1.33 0.04 0.00 0.00 177.00 177.53 1nsw n VAL 84 N 5.83 0.00 -3.78 -0.36 0.24 0.16 -4.93 118.33 115.50 1nsw n VAL 84 Ca 0.18 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 1nsw n VAL 84 Cb 0.43 0.51 -0.11 0.00 -1.47 0.00 0.00 33.84 33.21 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 -2.25 0.40 -0.02 7.34 2.20 -1.02 -4.98 119.74 121.41 1nsw s LYS 85 Ca -0.01 0.27 0.06 0.00 -0.36 0.00 0.00 55.97 55.93 1nsw s LYS 85 Cb 0.04 0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 1nsw s LYS 85 CO 0.28 -0.07 -0.19 1.14 -0.36 0.00 0.00 175.35 176.15 1nsw s GLN 86 N -0.16 1.60 0.02 4.03 -2.07 -1.26 -0.14 119.66 121.68 1nsw s GLN 86 Ca -0.03 -0.67 0.01 0.00 -1.82 0.00 0.00 55.36 52.84 1nsw s GLN 86 Cb -0.03 -1.52 -0.01 0.00 -1.09 0.00 0.00 33.01 30.36 1nsw s GLN 86 CO 0.01 0.38 -0.04 -0.51 -1.32 0.00 0.00 175.29 173.82 1nsw s LEU 87 N -0.36 2.17 0.62 2.60 1.02 -0.07 -5.01 118.68 119.65 1nsw s LEU 87 Ca 0.05 -0.36 -0.19 0.00 0.02 0.00 0.00 54.13 53.65 1nsw s LEU 87 Cb -0.08 -0.01 -0.03 0.00 0.02 0.00 0.00 46.19 46.09 1nsw s LEU 87 CO -0.00 -0.18 1.27 2.30 0.02 0.00 0.00 176.35 179.76 1nsw n ILE 88 N 2.02 4.52 0.16 -0.59 -6.64 -1.26 -1.78 119.36 115.79 1nsw n ILE 88 Ca -0.20 -0.50 0.04 0.00 -1.77 0.00 0.00 62.75 60.32 1nsw n ILE 88 Cb 0.56 -1.49 0.16 0.00 -1.44 0.00 0.00 39.64 37.43 1nsw n ILE 88 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 1nsw h GLY 89 N 0.76 0.00 -7.08 3.28 0.00 -1.78 -3.42 103.07 94.84 1nsw h GLY 89 Ca -0.51 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.20 1nsw h GLY 89 CO 0.54 0.00 0.46 -0.47 0.00 0.00 0.00 176.54 177.07 1nsw s TYR 90 N -3.21 2.89 -0.13 5.60 5.04 -1.26 -4.88 117.35 121.39 1nsw s TYR 90 Ca 0.03 0.03 -0.05 0.00 -2.44 0.00 0.00 57.07 54.63 1nsw s TYR 90 Cb 0.09 -3.90 0.06 0.00 0.35 0.00 0.00 41.96 38.56 1nsw s TYR 90 CO 0.72 -1.19 0.27 -0.65 -1.34 0.00 0.00 175.55 173.36 1nsw s GLN 91 N 3.62 0.18 0.83 4.97 -1.52 -1.26 -5.07 119.66 121.40 1nsw s GLN 91 Ca 0.30 0.72 -0.11 0.00 -1.95 0.00 0.00 55.36 54.32 1nsw s GLN 91 Cb -0.13 -0.03 0.09 0.00 -0.22 0.00 0.00 33.01 32.72 1nsw s GLN 91 CO 0.20 -0.25 1.12 -2.14 -0.25 0.00 0.00 175.29 173.97 1nsw s PRO 92 N 2.14 1.75 0.23 2.91 0.02 -1.26 -4.64 135.00 136.15 1nsw s PRO 92 Ca -0.02 1.36 -0.07 0.00 0.02 0.00 0.00 61.00 62.30 1nsw s PRO 92 Cb -0.12 -1.82 0.41 0.00 0.02 0.00 0.00 34.50 32.99 1nsw s PRO 92 CO -0.09 -2.06 1.69 -0.22 -0.33 0.00 0.00 177.00 176.00 1nsw h LYS 93 N -1.37 0.26 -0.14 5.54 3.64 -1.98 -0.25 116.57 122.26 1nsw h LYS 93 Ca -0.44 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1nsw h LYS 93 Cb 1.25 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1nsw h LYS 93 CO 0.47 0.17 -0.10 1.49 -2.27 0.00 0.00 179.45 179.22 1nsw h GLU 94 N 0.27 -0.10 -0.48 1.90 4.81 -1.99 0.59 114.58 119.58 1nsw h GLU 94 Ca 0.38 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.52 1nsw h GLU 94 Cb 0.63 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1nsw h GLU 94 CO -0.48 -0.07 -0.08 1.96 -0.73 0.00 0.00 179.01 179.61 1nsw h GLN 95 N -0.10 0.90 -0.34 1.92 4.20 -1.82 -0.56 115.11 119.31 1nsw h GLN 95 Ca 0.09 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1nsw h GLN 95 Cb 0.23 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1nsw h GLN 95 CO -0.21 0.98 0.20 1.25 -0.67 0.00 0.00 178.83 180.38 1nsw h LEU 96 N 0.75 0.40 -0.53 1.46 5.85 -0.80 -1.11 115.31 121.33 1nsw h LEU 96 Ca 0.13 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 1nsw h LEU 96 Cb 0.62 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1nsw h LEU 96 CO 0.04 0.34 -0.29 -0.33 -0.34 0.00 0.00 178.44 177.86 1nsw h GLU 97 N 0.43 0.87 -0.39 1.25 5.08 -0.80 -2.44 114.58 118.59 1nsw h GLU 97 Ca 0.12 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1nsw h GLU 97 Cb 0.01 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1nsw h GLU 97 CO -0.02 1.05 0.21 0.00 -1.00 0.00 0.00 179.01 179.25 1nsw h ALA 98 N 0.92 0.49 0.00 3.43 0.00 -0.82 -1.14 119.26 122.14 1nsw h ALA 98 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1nsw h ALA 98 Cb 0.85 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1nsw h ALA 98 CO 0.07 -0.14 -0.26 1.96 0.00 0.00 0.00 179.25 180.88 1nsw h GLN 99 N 0.43 0.00 -0.58 0.00 4.20 -1.16 -2.78 115.11 115.22 1nsw h GLN 99 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1nsw h GLN 99 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1nsw h GLN 99 CO -0.09 0.26 0.00 1.28 -0.67 0.00 0.00 178.83 179.61 1nsw n LEU 100 N -3.47 4.86 -0.33 1.46 4.77 -0.93 -4.67 117.00 118.70 1nsw n LEU 100 Ca -0.00 -2.60 0.14 0.00 -0.03 0.00 0.00 56.01 53.52 1nsw n LEU 100 Cb 0.43 -0.59 0.29 0.00 -2.33 0.00 0.00 43.42 41.22 1nsw n LEU 100 CO 0.34 0.75 0.83 0.00 -1.33 0.00 0.00 177.39 177.99 1nsw h ALA 101 N 3.77 1.18 0.18 -1.18 0.00 -0.93 -2.68 119.26 119.60 1nsw h ALA 101 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1nsw h ALA 101 Cb 1.56 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 19.84 1nsw h ALA 101 CO 0.29 -0.56 -0.51 -0.44 0.00 0.00 0.00 179.25 178.03 1nsw h ASP 102 N 0.04 -1.50 0.43 0.00 3.32 -1.86 -2.34 116.42 114.51 1nsw h ASP 102 Ca 0.58 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.76 1nsw h ASP 102 Cb 1.20 0.55 -0.00 0.00 0.22 0.00 0.00 39.33 41.29 1nsw h ASP 102 CO -0.85 -0.56 -0.10 -0.37 -1.72 0.00 0.00 179.24 175.64 1nsw h VAL 103 N -0.77 0.47 0.00 -1.35 -1.51 -1.87 -2.49 116.25 108.73 1nsw h VAL 103 Ca -0.02 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1nsw h VAL 103 Cb 0.75 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1nsw h VAL 103 CO -0.24 0.10 -0.19 0.18 -1.23 0.00 0.00 177.57 176.19 1nsw n LEU 104 N -3.53 0.32 0.00 4.19 4.77 -1.03 -4.79 117.00 116.92 1nsw n LEU 104 Ca -0.02 0.36 0.16 0.00 -0.03 0.00 0.00 56.01 56.48 1nsw n LEU 104 Cb 0.24 -0.38 0.95 0.00 -2.33 0.00 0.00 43.42 41.90 1nsw n LEU 104 CO 0.29 -0.00 1.11 1.67 -1.33 0.00 0.00 177.39 179.13