#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lgu s ASN 2 N 0.00 0.50 0.33 6.12 2.20 -1.26 -5.03 114.94 117.80 1lgu s ASN 2 Ca 0.00 -1.29 0.06 0.00 -0.94 0.00 0.00 52.86 50.69 1lgu s ASN 2 Cb 0.00 0.62 0.72 0.00 -2.00 0.00 0.00 41.25 40.60 1lgu s ASN 2 CO 0.00 -1.23 1.84 -0.29 -2.94 0.00 0.00 177.10 174.49 1lgu h ILE 3 N 2.19 0.84 -0.14 0.54 6.09 -1.98 0.74 117.51 125.79 1lgu h ILE 3 Ca -0.28 -0.27 -0.04 0.00 -1.37 0.00 0.00 64.86 62.89 1lgu h ILE 3 Cb 1.24 -0.03 -0.00 0.00 0.47 0.00 0.00 36.82 38.50 1lgu h ILE 3 CO 0.39 0.15 -0.06 -0.26 -3.07 0.00 0.00 178.15 175.29 1lgu h PHE 4 N 0.80 0.34 -0.42 2.19 -1.00 -1.98 0.38 116.94 117.25 1lgu h PHE 4 Ca 0.48 -0.08 -0.09 0.00 2.81 0.00 0.00 57.97 61.09 1lgu h PHE 4 Cb 0.68 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 40.14 1lgu h PHE 4 CO -0.00 0.61 -0.11 0.93 -1.61 0.00 0.00 178.31 178.14 1lgu h GLU 5 N -0.04 0.75 -0.10 1.51 5.08 -1.79 0.18 114.58 120.16 1lgu h GLU 5 Ca 0.03 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1lgu h GLU 5 Cb 0.52 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1lgu h GLU 5 CO 0.02 0.83 0.01 1.98 -1.00 0.00 0.00 179.01 180.85 1lgu h MET 6 N 0.68 0.17 0.00 2.33 4.05 -0.72 -1.68 114.93 119.75 1lgu h MET 6 Ca 0.12 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.39 1lgu h MET 6 Cb 0.57 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 1lgu h MET 6 CO 0.04 0.38 -0.46 -0.07 0.23 0.00 0.00 176.91 177.03 1lgu h LEU 7 N -0.07 0.00 -1.50 3.39 3.38 -0.02 -1.84 115.31 118.64 1lgu h LEU 7 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1lgu h LEU 7 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1lgu h LEU 7 CO 0.00 0.46 -0.02 -0.09 0.09 0.00 0.00 178.44 178.88 1lgu h ARG 8 N 0.00 0.29 -0.20 1.13 9.65 -0.39 0.17 114.38 125.03 1lgu h ARG 8 Ca -0.00 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.74 1lgu h ARG 8 Cb 0.85 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1lgu h ARG 8 CO 0.06 0.34 -0.20 0.82 2.80 0.00 0.00 179.97 183.78 1lgu h ILE 9 N 0.28 1.33 0.00 1.20 2.04 -0.70 -2.09 117.51 119.57 1lgu h ILE 9 Ca 0.06 -1.37 -0.14 0.00 1.00 0.00 0.00 64.86 64.41 1lgu h ILE 9 Cb 0.24 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1lgu h ILE 9 CO 0.01 0.42 -0.67 0.44 0.00 0.00 0.00 178.15 178.35 1lgu h ASP 10 N 0.16 0.00 0.08 1.72 3.32 -0.53 -3.34 116.42 117.83 1lgu h ASP 10 Ca 0.03 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.91 1lgu h ASP 10 Cb 0.75 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1lgu h ASP 10 CO 0.05 0.67 -2.10 -0.62 -1.72 0.00 0.00 179.24 175.52 1lgu n GLU 11 N -3.72 0.67 -0.02 3.56 -0.58 0.51 -5.07 120.64 115.99 1lgu n GLU 11 Ca -0.01 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1lgu n GLU 11 Cb 0.66 -1.55 -0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1lgu n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lgu n GLY 12 N 1.48 -2.00 2.66 0.62 0.00 -0.79 -4.44 105.19 102.73 1lgu n GLY 12 Ca -0.17 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.24 1lgu n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lgu s LEU 13 N 0.00 0.20 -0.06 0.99 2.96 -1.26 -4.34 118.68 117.17 1lgu s LEU 13 Ca 0.00 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1lgu s LEU 13 Cb 0.00 -0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.57 1lgu s LEU 13 CO 0.00 -0.29 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.51 1lgu s ARG 14 N 2.17 1.44 0.00 1.98 1.81 -0.66 -5.00 118.95 120.69 1lgu s ARG 14 Ca 0.04 -0.31 0.26 0.00 -1.72 0.00 0.00 55.73 54.00 1lgu s ARG 14 Cb -0.14 -1.26 0.77 0.00 -0.45 0.00 0.00 34.95 33.87 1lgu s ARG 14 CO -0.06 -0.03 1.58 1.28 -0.68 0.00 0.00 175.30 177.39 1lgu n LEU 15 N 3.99 1.11 -4.44 2.53 4.77 -1.26 0.45 117.00 124.15 1lgu n LEU 15 Ca -0.22 -0.30 -0.30 0.00 -0.03 0.00 0.00 56.01 55.15 1lgu n LEU 15 Cb 0.51 -0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 1lgu n LEU 15 CO 0.24 0.20 -0.51 -1.59 -1.33 0.00 0.00 177.39 174.40 1lgu s LYS 16 N -2.44 1.86 0.35 3.23 -2.85 -1.26 -0.49 119.74 118.13 1lgu s LYS 16 Ca 0.26 -1.11 -0.26 0.00 -1.00 0.00 0.00 55.97 53.87 1lgu s LYS 16 Cb 0.19 -2.10 -0.13 0.00 -2.06 0.00 0.00 37.83 33.74 1lgu s LYS 16 CO 0.50 0.51 0.87 -0.89 0.10 0.00 0.00 175.35 176.43 1lgu n ILE 17 N 1.28 2.07 -4.08 3.79 5.41 -0.69 -4.74 119.36 122.40 1lgu n ILE 17 Ca -0.16 -0.50 -0.10 0.00 1.00 0.00 0.00 62.75 62.98 1lgu n ILE 17 Cb 0.52 -0.86 -0.07 0.00 -0.71 0.00 0.00 39.64 38.51 1lgu n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1lgu s TYR 18 N -1.21 0.69 -0.16 1.39 -0.85 0.76 -4.96 117.35 113.00 1lgu s TYR 18 Ca 0.61 -1.00 -0.10 0.00 -0.52 0.00 0.00 57.07 56.07 1lgu s TYR 18 Cb -0.66 -0.14 -0.05 0.00 0.38 0.00 0.00 41.96 41.49 1lgu s TYR 18 CO 0.58 -0.82 0.16 0.15 -1.52 0.00 0.00 175.55 174.11 1lgu s LYS 19 N -4.07 3.94 0.00 -3.49 1.02 -1.26 -0.15 119.74 115.73 1lgu s LYS 19 Ca 0.28 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1lgu s LYS 19 Cb 0.03 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1lgu s LYS 19 CO 0.09 0.47 0.00 -0.40 -0.92 0.00 0.00 175.35 174.59 1lgu n ASP 20 N 2.96 0.00 0.28 2.83 5.75 0.84 -4.80 116.55 124.41 1lgu n ASP 20 Ca -0.17 -0.94 0.13 0.00 -0.01 0.00 0.00 54.79 53.80 1lgu n ASP 20 Cb 0.53 0.00 0.80 0.00 -1.03 0.00 0.00 41.12 41.42 1lgu n ASP 20 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1lgu h THR 21 N -0.87 0.60 -0.14 2.12 1.35 -1.99 -0.39 112.91 113.60 1lgu h THR 21 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1lgu h THR 21 Cb 0.00 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1lgu h THR 21 CO 0.00 0.06 0.00 -0.62 -0.25 0.00 0.00 175.52 174.71 1lgu n GLU 22 N -3.83 2.00 -0.69 4.72 -0.58 -1.26 -4.94 120.64 116.07 1lgu n GLU 22 Ca -0.02 -1.48 0.00 0.00 -0.42 0.00 0.00 57.16 55.24 1lgu n GLU 22 Cb 0.16 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1lgu n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lgu n GLY 23 N 1.27 0.59 3.89 0.62 0.00 -0.16 -5.07 105.19 106.33 1lgu n GLY 23 Ca 0.17 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1lgu n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lgu s TYR 24 N -2.00 3.47 0.08 1.61 4.12 -1.26 -4.62 117.35 118.76 1lgu s TYR 24 Ca 0.00 0.25 -0.31 0.00 0.02 0.00 0.00 57.07 57.03 1lgu s TYR 24 Cb 0.00 -1.75 -0.09 0.00 -1.52 0.00 0.00 41.96 38.60 1lgu s TYR 24 CO 0.00 0.59 1.69 0.71 0.02 0.00 0.00 175.55 178.56 1lgu s TYR 25 N -1.45 2.37 0.19 2.71 4.12 -1.19 -0.11 117.35 124.00 1lgu s TYR 25 Ca 0.32 0.25 -0.07 0.00 0.02 0.00 0.00 57.07 57.59 1lgu s TYR 25 Cb -0.13 -4.01 -0.02 0.00 -1.52 0.00 0.00 41.96 36.28 1lgu s TYR 25 CO 0.25 -4.08 0.27 0.99 0.02 0.00 0.00 175.55 172.99 1lgu s THR 26 N 2.63 0.03 0.20 -0.71 2.01 0.79 0.84 115.64 121.42 1lgu s THR 26 Ca 0.75 -1.63 -0.13 0.00 0.31 0.00 0.00 61.69 61.00 1lgu s THR 26 Cb -0.41 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1lgu s THR 26 CO 0.33 -0.15 0.42 -0.51 -0.69 0.00 0.00 174.62 174.03 1lgu s ILE 27 N -4.05 0.03 0.00 1.82 2.07 0.51 -0.17 121.20 121.42 1lgu s ILE 27 Ca 0.26 -1.17 0.00 0.00 -1.41 0.00 0.00 60.65 58.32 1lgu s ILE 27 Cb 0.04 -1.84 0.00 0.00 0.13 0.00 0.00 42.46 40.78 1lgu s ILE 27 CO 0.06 -0.15 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 1lgu n GLY 28 N -0.31 1.79 2.96 1.50 0.00 0.17 -0.82 105.19 110.49 1lgu n GLY 28 Ca -0.07 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 1lgu n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lgu n ILE 29 N 0.00 4.69 -2.97 -0.61 5.41 -1.26 -1.65 119.36 122.97 1lgu n ILE 29 Ca 0.00 -5.73 -0.16 0.00 1.00 0.00 0.00 62.75 57.86 1lgu n ILE 29 Cb 0.00 -2.15 0.04 0.00 -0.71 0.00 0.00 39.64 36.82 1lgu n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1lgu n GLY 30 N 1.44 -0.13 3.48 7.39 0.00 -1.23 -4.91 105.19 111.22 1lgu n GLY 30 Ca 0.26 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1lgu n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1lgu s HIS 31 N -3.08 2.96 0.11 1.61 5.04 0.00 -4.87 115.29 117.07 1lgu s HIS 31 Ca 0.29 -0.33 -0.31 0.00 -1.54 0.00 0.00 55.06 53.17 1lgu s HIS 31 Cb -0.13 -3.70 -0.08 0.00 0.04 0.00 0.00 32.58 28.71 1lgu s HIS 31 CO 0.36 -1.13 1.42 -1.17 -2.34 0.00 0.00 174.74 171.88 1lgu s LEU 32 N 3.08 4.37 -0.21 8.88 2.96 -1.26 -0.36 118.68 136.14 1lgu s LEU 32 Ca 0.21 2.35 -0.10 0.00 -0.22 0.00 0.00 54.13 56.37 1lgu s LEU 32 Cb -0.17 -3.58 -0.19 0.00 0.50 0.00 0.00 46.19 42.74 1lgu s LEU 32 CO 0.15 -0.69 0.04 0.18 -1.32 0.00 0.00 176.35 174.72 1lgu n LEU 33 N 4.10 2.40 -3.54 -0.68 4.77 0.25 -4.93 117.00 119.37 1lgu n LEU 33 Ca 0.12 0.20 -0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1lgu n LEU 33 Cb 0.42 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 1lgu n LEU 33 CO 0.59 0.68 0.75 0.28 -1.33 0.00 0.00 177.39 178.36 1lgu s THR 34 N -2.49 0.00 -0.83 -5.08 -1.32 -1.12 -4.92 115.64 99.87 1lgu s THR 34 Ca -0.30 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.41 1lgu s THR 34 Cb 0.09 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 70.00 1lgu s THR 34 CO 0.63 0.00 1.17 0.29 -2.21 0.00 0.00 174.62 174.50 1lgu n LYS 35 N 0.08 0.13 -1.88 7.08 5.02 -1.26 -3.15 118.16 124.18 1lgu n LYS 35 Ca -0.08 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.86 1lgu n LYS 35 Cb 0.60 -1.55 0.04 0.00 -0.02 0.00 0.00 35.03 34.11 1lgu n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1lgu s SER 36 N -3.42 5.06 0.00 4.39 0.15 -1.26 -4.91 113.70 113.71 1lgu s SER 36 Ca 0.07 2.25 0.26 0.00 0.70 0.00 0.00 55.95 59.24 1lgu s SER 36 Cb 0.16 -2.58 0.73 0.00 -1.71 0.00 0.00 66.02 62.62 1lgu s SER 36 CO 0.77 -1.67 1.55 -0.81 1.20 0.00 0.00 173.24 174.28 1lgu n PRO 37 N -1.96 0.96 -2.57 5.44 -0.04 -1.26 -4.63 135.00 130.94 1lgu n PRO 37 Ca 0.12 -0.59 -0.43 0.00 -0.04 0.00 0.00 63.50 62.57 1lgu n PRO 37 Cb 0.51 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1lgu n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1lgu s SER 38 N -2.44 6.69 0.54 3.54 0.15 -1.26 -4.88 113.70 116.04 1lgu s SER 38 Ca 0.25 0.74 0.25 0.00 0.70 0.00 0.00 55.95 57.89 1lgu s SER 38 Cb 0.19 -2.55 1.43 0.00 -1.71 0.00 0.00 66.02 63.39 1lgu s SER 38 CO 0.50 -1.15 2.02 0.25 1.20 0.00 0.00 173.24 176.06 1lgu h LEU 39 N 10.97 0.00 -0.21 3.45 5.85 -2.00 0.67 115.31 134.04 1lgu h LEU 39 Ca -0.23 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.35 1lgu h LEU 39 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1lgu h LEU 39 CO 1.09 0.00 -0.41 0.78 -0.34 0.00 0.00 178.44 179.56 1lgu h ASN 40 N 0.00 0.72 -0.22 1.25 2.35 -1.98 0.26 115.58 117.96 1lgu h ASN 40 Ca 0.20 -0.55 0.06 0.00 -0.55 0.00 0.00 56.30 55.46 1lgu h ASN 40 Cb 0.83 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1lgu h ASN 40 CO -0.00 1.13 0.16 0.00 -1.65 0.00 0.00 177.43 177.07 1lgu h ALA 41 N 0.61 2.17 -0.11 -0.83 0.00 -1.29 0.18 119.26 119.99 1lgu h ALA 41 Ca 0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1lgu h ALA 41 Cb 1.01 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1lgu h ALA 41 CO 0.09 -0.27 -0.68 0.00 0.00 0.00 0.00 179.25 178.39 1lgu h ALA 42 N 1.88 0.24 -0.20 0.00 0.00 -0.80 -1.14 119.26 119.24 1lgu h ALA 42 Ca 0.10 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1lgu h ALA 42 Cb 0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1lgu h ALA 42 CO -0.00 0.54 -0.31 0.87 0.00 0.00 0.00 179.25 180.35 1lgu h LYS 43 N 0.33 0.40 0.15 0.00 1.57 0.38 0.31 116.57 119.71 1lgu h LYS 43 Ca -0.05 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1lgu h LYS 43 Cb 1.32 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1lgu h LYS 43 CO 0.14 0.67 -0.07 1.03 -0.57 0.00 0.00 179.45 180.65 1lgu h SER 44 N 0.35 -0.18 -1.00 0.86 0.87 -0.95 -0.20 113.55 113.29 1lgu h SER 44 Ca 0.04 -0.21 0.06 0.00 -1.23 0.00 0.00 61.79 60.46 1lgu h SER 44 Cb 0.73 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.67 1lgu h SER 44 CO 0.06 0.11 0.65 -0.33 -0.53 0.00 0.00 176.83 176.79 1lgu h GLU 45 N -0.47 1.16 -0.47 2.24 4.39 -0.94 -0.39 114.58 120.10 1lgu h GLU 45 Ca -0.02 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.64 1lgu h GLU 45 Cb 0.37 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1lgu h GLU 45 CO 0.03 0.77 0.26 1.25 -1.16 0.00 0.00 179.01 180.17 1lgu h LEU 46 N 1.20 0.41 -0.91 1.33 5.85 0.07 -0.81 115.31 122.44 1lgu h LEU 46 Ca 0.42 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 59.08 1lgu h LEU 46 Cb 0.13 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1lgu h LEU 46 CO -0.16 0.29 -0.08 0.44 -0.34 0.00 0.00 178.44 178.59 1lgu h ASP 47 N 0.52 0.69 -0.45 1.25 3.32 -0.06 -0.99 116.42 120.71 1lgu h ASP 47 Ca 0.20 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1lgu h ASP 47 Cb 0.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1lgu h ASP 47 CO -0.11 0.81 -0.06 0.50 -1.72 0.00 0.00 179.24 178.67 1lgu h LYS 48 N 0.65 0.90 -0.38 3.56 3.64 -0.88 0.91 116.57 124.97 1lgu h LYS 48 Ca 0.12 -0.29 -0.16 0.00 -1.27 0.00 0.00 60.65 59.05 1lgu h LYS 48 Cb 0.52 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1lgu h LYS 48 CO 0.03 0.93 -0.38 0.00 -2.27 0.00 0.00 179.45 177.76 1lgu h ALA 49 N 1.11 0.60 0.00 5.00 0.00 -0.75 -3.25 119.26 121.98 1lgu h ALA 49 Ca 0.14 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 1lgu h ALA 49 Cb 0.56 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1lgu h ALA 49 CO 0.03 0.68 -1.11 0.82 0.00 0.00 0.00 179.25 179.67 1lgu h ILE 50 N 0.76 0.75 0.00 0.00 1.08 -1.10 -3.48 117.51 115.52 1lgu h ILE 50 Ca 0.06 -2.25 0.00 0.00 -0.39 0.00 0.00 64.86 62.29 1lgu h ILE 50 Cb 0.97 2.26 0.00 0.00 -3.07 0.00 0.00 36.82 36.98 1lgu h ILE 50 CO 0.09 0.43 0.00 0.61 -0.69 0.00 0.00 178.15 178.59 1lgu n GLY 51 N 1.35 0.87 3.78 5.37 0.00 0.31 -5.04 105.19 111.83 1lgu n GLY 51 Ca -0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 1lgu n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1lgu s ARG 52 N -1.67 1.25 -0.58 1.61 1.70 -0.84 -5.04 118.95 115.40 1lgu s ARG 52 Ca 0.00 -0.72 -0.28 0.00 -0.47 0.00 0.00 55.73 54.27 1lgu s ARG 52 Cb 0.00 0.41 0.03 0.00 -0.57 0.00 0.00 34.95 34.82 1lgu s ARG 52 CO 0.00 -0.58 1.15 -0.80 -1.08 0.00 0.00 175.30 174.00 1lgu s ASN 53 N -3.02 6.43 -0.13 -2.89 -0.87 -1.26 -4.26 114.94 108.94 1lgu s ASN 53 Ca 0.14 0.03 0.07 0.00 -1.57 0.00 0.00 52.86 51.53 1lgu s ASN 53 Cb -0.02 -2.54 -0.23 0.00 -0.02 0.00 0.00 41.25 38.44 1lgu s ASN 53 CO 0.03 -1.44 0.33 0.00 -2.57 0.00 0.00 177.10 173.45 1lgu n ASN 55 N -3.14 -4.91 0.00 0.00 5.15 -1.26 -2.33 115.26 108.77 1lgu n ASN 55 Ca -0.28 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.13 1lgu n ASN 55 Cb 1.06 -5.06 0.00 0.00 -0.53 0.00 0.00 39.78 35.25 1lgu n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lgu n GLY 56 N -1.71 0.33 3.03 8.20 0.00 -1.26 -4.98 105.19 108.79 1lgu n GLY 56 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1lgu n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lgu s VAL 57 N -1.79 0.52 0.34 1.61 1.01 -0.98 -1.70 120.40 119.41 1lgu s VAL 57 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1lgu s VAL 57 Cb 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1lgu s VAL 57 CO 0.00 -0.17 0.15 0.27 0.00 0.00 0.00 175.10 175.36 1lgu s ILE 58 N -0.86 0.45 0.46 2.22 -4.36 0.35 -4.76 121.20 114.71 1lgu s ILE 58 Ca -0.05 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.42 1lgu s ILE 58 Cb -0.07 -2.48 0.03 0.00 1.25 0.00 0.00 42.46 41.19 1lgu s ILE 58 CO 0.00 0.00 0.64 0.42 0.24 0.00 0.00 174.94 176.24 1lgu s THR 59 N -3.44 2.82 0.18 8.37 -4.23 -1.26 -4.82 115.64 113.25 1lgu s THR 59 Ca 0.32 -0.95 -0.12 0.00 -1.18 0.00 0.00 61.69 59.76 1lgu s THR 59 Cb 0.04 -2.87 0.09 0.00 1.34 0.00 0.00 72.50 71.10 1lgu s THR 59 CO 0.17 0.00 1.79 0.50 -0.54 0.00 0.00 174.62 176.54 1lgu h LYS 60 N 0.48 0.87 -0.78 3.99 3.64 -1.98 0.76 116.57 123.55 1lgu h LYS 60 Ca -0.39 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1lgu h LYS 60 Cb 1.28 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 1lgu h LYS 60 CO 0.45 0.68 0.45 -0.44 -2.27 0.00 0.00 179.45 178.31 1lgu h ASP 61 N 0.85 0.95 -0.38 4.20 3.32 -1.98 0.31 116.42 123.70 1lgu h ASP 61 Ca 0.22 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1lgu h ASP 61 Cb 0.07 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1lgu h ASP 61 CO -0.03 0.76 0.00 -0.33 -1.72 0.00 0.00 179.24 177.92 1lgu h GLU 62 N 1.07 0.66 -0.67 3.56 5.08 -1.76 0.65 114.58 123.18 1lgu h GLU 62 Ca 0.28 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1lgu h GLU 62 Cb -0.00 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1lgu h GLU 62 CO -0.05 0.76 0.36 0.00 -1.00 0.00 0.00 179.01 179.09 1lgu h ALA 63 N 0.88 0.85 0.00 3.43 0.00 -0.32 0.67 119.26 124.78 1lgu h ALA 63 Ca 0.11 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1lgu h ALA 63 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1lgu h ALA 63 CO 0.02 0.37 -0.36 0.93 0.00 0.00 0.00 179.25 180.21 1lgu h GLU 64 N 0.91 0.00 -0.13 0.00 5.08 -0.10 0.12 114.58 120.47 1lgu h GLU 64 Ca 0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1lgu h GLU 64 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1lgu h GLU 64 CO -0.04 0.36 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.05 1lgu h LYS 65 N 0.00 0.27 -0.66 2.33 3.64 0.35 -1.02 116.57 121.48 1lgu h LYS 65 Ca -0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1lgu h LYS 65 Cb 0.65 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1lgu h LYS 65 CO 0.05 0.60 0.42 -0.07 -2.27 0.00 0.00 179.45 178.18 1lgu h LEU 66 N -0.07 0.77 -1.10 5.20 3.38 -0.36 -1.87 115.31 121.26 1lgu h LEU 66 Ca 0.03 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1lgu h LEU 66 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1lgu h LEU 66 CO 0.02 0.57 0.05 0.15 0.09 0.00 0.00 178.44 179.32 1lgu h PHE 67 N 0.90 0.72 -0.50 1.13 3.57 -0.44 -0.95 116.94 121.36 1lgu h PHE 67 Ca 0.24 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 1lgu h PHE 67 Cb -0.08 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 1lgu h PHE 67 CO 0.00 0.65 -0.15 -0.91 -2.23 0.00 0.00 178.31 175.67 1lgu h ASN 68 N 0.66 0.98 -0.54 0.41 2.35 -0.40 -0.27 115.58 118.76 1lgu h ASN 68 Ca 0.14 -0.33 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 1lgu h ASN 68 Cb 0.33 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1lgu h ASN 68 CO 0.01 1.11 0.03 1.56 -1.65 0.00 0.00 177.43 178.48 1lgu h GLN 69 N 0.85 0.98 -0.44 0.81 4.20 -1.06 -1.63 115.11 118.82 1lgu h GLN 69 Ca 0.13 -0.28 -0.12 0.00 0.06 0.00 0.00 58.65 58.43 1lgu h GLN 69 Cb 0.70 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1lgu h GLN 69 CO 0.05 0.95 -0.21 -0.44 -0.67 0.00 0.00 178.83 178.51 1lgu h ASP 70 N 0.91 0.90 -0.19 1.46 3.32 -0.84 0.13 116.42 122.11 1lgu h ASP 70 Ca 0.17 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1lgu h ASP 70 Cb 0.49 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1lgu h ASP 70 CO 0.02 1.08 0.00 0.58 -1.72 0.00 0.00 179.24 179.20 1lgu h VAL 71 N 0.77 1.25 -0.37 -1.35 2.07 -0.88 -2.14 116.25 115.61 1lgu h VAL 71 Ca 0.11 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1lgu h VAL 71 Cb 0.75 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1lgu h VAL 71 CO 0.06 0.26 0.09 -0.78 0.02 0.00 0.00 177.57 177.22 1lgu h ASP 72 N 0.09 0.05 -0.90 0.57 3.58 -1.22 -1.37 116.42 117.23 1lgu h ASP 72 Ca 0.05 0.05 0.08 0.00 0.42 0.00 0.00 57.03 57.64 1lgu h ASP 72 Cb 0.39 0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.43 1lgu h ASP 72 CO 0.01 0.06 0.55 0.00 -2.88 0.00 0.00 179.24 176.98 1lgu h ALA 73 N 1.26 1.27 -0.23 -0.78 0.00 -0.58 -1.64 119.26 118.57 1lgu h ALA 73 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1lgu h ALA 73 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1lgu h ALA 73 CO -0.21 0.24 0.06 0.00 0.00 0.00 0.00 179.25 179.34 1lgu h ALA 74 N 1.45 0.30 -0.55 0.00 0.00 -0.76 0.19 119.26 119.88 1lgu h ALA 74 Ca 0.41 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1lgu h ALA 74 Cb 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1lgu h ALA 74 CO -0.21 -0.06 0.34 0.28 0.00 0.00 0.00 179.25 179.60 1lgu h VAL 75 N 0.19 1.07 -0.72 0.00 2.07 -0.83 -0.21 116.25 117.82 1lgu h VAL 75 Ca 0.07 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1lgu h VAL 75 Cb 0.26 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1lgu h VAL 75 CO -0.00 0.12 0.38 0.03 0.02 0.00 0.00 177.57 178.12 1lgu h ARG 76 N 0.67 1.02 -0.29 1.57 3.08 -1.13 0.38 114.38 119.67 1lgu h ARG 76 Ca 0.22 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1lgu h ARG 76 Cb 0.01 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1lgu h ARG 76 CO -0.09 0.77 0.02 0.78 -1.07 0.00 0.00 179.97 180.39 1lgu h GLY 77 N 1.00 0.46 0.92 0.04 0.00 0.59 -0.92 103.07 105.16 1lgu h GLY 77 Ca 0.25 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1lgu h GLY 77 CO -0.04 0.23 -0.03 -2.22 0.00 0.00 0.00 176.54 174.48 1lgu h ILE 78 N 0.42 1.27 0.00 2.60 2.04 0.42 -2.47 117.51 121.79 1lgu h ILE 78 Ca 0.10 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 1lgu h ILE 78 Cb 0.24 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1lgu h ILE 78 CO 0.00 0.34 -0.29 -0.07 0.00 0.00 0.00 178.15 178.13 1lgu h LEU 79 N 0.44 0.00 0.00 1.44 3.38 0.85 -1.87 115.31 119.55 1lgu h LEU 79 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1lgu h LEU 79 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1lgu h LEU 79 CO 0.02 0.29 -0.14 0.54 0.09 0.00 0.00 178.44 179.25 1lgu n ARG 80 N -4.15 0.06 -3.18 1.13 1.74 -0.47 -4.73 116.66 107.07 1lgu n ARG 80 Ca -0.02 0.04 -0.39 0.00 -0.77 0.00 0.00 57.85 56.71 1lgu n ARG 80 Cb 0.34 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 1lgu n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1lgu s ASN 81 N -3.34 6.74 0.41 0.55 3.84 -0.71 -4.95 114.94 117.49 1lgu s ASN 81 Ca 0.12 0.90 0.20 0.00 0.21 0.00 0.00 52.86 54.29 1lgu s ASN 81 Cb 0.17 -2.34 0.87 0.00 -0.55 0.00 0.00 41.25 39.40 1lgu s ASN 81 CO 0.59 -0.14 1.83 0.00 -2.79 0.00 0.00 177.10 176.59 1lgu h ALA 82 N 7.06 1.13 0.13 1.71 0.00 -1.87 0.89 119.26 128.32 1lgu h ALA 82 Ca -0.37 -0.28 -0.30 0.00 0.00 0.00 0.00 54.91 53.96 1lgu h ALA 82 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1lgu h ALA 82 CO 0.76 0.39 -1.42 -0.22 0.00 0.00 0.00 179.25 178.75 1lgu h LYS 83 N 0.00 0.28 0.15 0.00 1.63 -1.93 -3.40 116.57 113.30 1lgu h LYS 83 Ca -0.00 -0.48 -0.22 0.00 -0.85 0.00 0.00 60.65 59.10 1lgu h LYS 83 Cb 0.72 0.18 0.02 0.00 -0.60 0.00 0.00 32.23 32.55 1lgu h LYS 83 CO 0.04 1.18 -1.00 -0.07 -3.45 0.00 0.00 179.45 176.15 1lgu h LEU 84 N 0.08 0.50 -0.62 5.20 3.38 -1.76 -3.38 115.31 118.71 1lgu h LEU 84 Ca -0.20 -0.93 0.11 0.00 0.09 0.00 0.00 57.88 56.94 1lgu h LEU 84 Cb 2.01 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 42.48 1lgu h LEU 84 CO 0.19 1.47 -0.31 0.50 0.09 0.00 0.00 178.44 180.38 1lgu h LYS 85 N -0.29 -0.12 -0.84 1.13 3.64 -0.84 0.41 116.57 119.65 1lgu h LYS 85 Ca -0.18 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1lgu h LYS 85 Cb 1.73 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.54 1lgu h LYS 85 CO 0.15 -0.08 0.49 -1.00 -2.27 0.00 0.00 179.45 176.74 1lgu h PRO 86 N -0.13 1.14 -0.09 1.90 0.13 -1.79 0.14 132.00 133.30 1lgu h PRO 86 Ca 0.25 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1lgu h PRO 86 Cb 0.55 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 1lgu h PRO 86 CO -0.69 0.81 -0.03 0.28 -0.23 0.00 0.00 178.00 178.14 1lgu h VAL 87 N 1.16 1.30 -0.56 1.56 2.07 -1.36 -2.10 116.25 118.32 1lgu h VAL 87 Ca 0.30 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.91 1lgu h VAL 87 Cb -0.03 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1lgu h VAL 87 CO -0.05 0.27 0.25 0.22 0.02 0.00 0.00 177.57 178.28 1lgu h TYR 88 N -0.17 0.45 0.00 1.57 3.20 -0.69 -0.07 116.97 121.26 1lgu h TYR 88 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1lgu h TYR 88 Cb 0.44 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1lgu h TYR 88 CO 0.06 0.17 0.00 -0.44 -1.64 0.00 0.00 178.16 176.31 1lgu h ASP 89 N 0.47 0.00 0.75 -2.11 3.32 -0.63 -1.82 116.42 116.39 1lgu h ASP 89 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1lgu h ASP 89 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1lgu h ASP 89 CO -0.23 0.00 -0.04 -1.54 -1.72 0.00 0.00 179.24 175.71 1lgu n SER 90 N -2.50 0.08 -4.95 6.45 3.41 -0.06 -4.89 113.62 111.17 1lgu n SER 90 Ca 0.02 0.11 -0.23 0.00 -0.26 0.00 0.00 58.87 58.51 1lgu n SER 90 Cb 0.30 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1lgu n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1lgu s LEU 91 N -2.79 4.10 1.09 1.04 1.43 -0.69 -5.08 118.68 117.78 1lgu s LEU 91 Ca 0.21 0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.50 1lgu s LEU 91 Cb 0.19 -3.20 0.24 0.00 0.03 0.00 0.00 46.19 43.45 1lgu s LEU 91 CO 0.51 -0.23 1.18 1.51 0.23 0.00 0.00 176.35 179.55 1lgu s ASP 92 N -3.97 1.90 0.23 2.29 1.47 -1.26 -4.78 116.67 112.54 1lgu s ASP 92 Ca 0.39 0.56 -0.05 0.00 1.18 0.00 0.00 52.55 54.63 1lgu s ASP 92 Cb -0.10 -0.78 0.23 0.00 -0.34 0.00 0.00 42.92 41.93 1lgu s ASP 92 CO 0.34 -3.51 1.73 0.00 0.68 0.00 0.00 175.17 174.40 1lgu h ALA 93 N -2.17 1.01 0.22 2.11 0.00 -1.97 -0.90 119.26 117.56 1lgu h ALA 93 Ca -0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1lgu h ALA 93 Cb 1.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1lgu h ALA 93 CO 0.39 0.62 -0.10 0.28 0.00 0.00 0.00 179.25 180.43 1lgu h VAL 94 N 0.87 0.86 -0.46 0.00 2.07 -1.93 -2.56 116.25 115.09 1lgu h VAL 94 Ca 0.17 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.31 1lgu h VAL 94 Cb 0.46 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1lgu h VAL 94 CO 0.02 0.11 0.32 0.03 0.02 0.00 0.00 177.57 178.06 1lgu h ARG 95 N -0.53 0.19 -0.70 1.57 3.08 -1.80 0.35 114.38 116.53 1lgu h ARG 95 Ca -0.03 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1lgu h ARG 95 Cb 0.40 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1lgu h ARG 95 CO 0.05 0.13 0.46 0.00 -1.07 0.00 0.00 179.97 179.54 1lgu h ARG 96 N 0.20 0.93 -0.53 0.04 3.08 -0.78 -0.65 114.38 116.67 1lgu h ARG 96 Ca 0.22 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1lgu h ARG 96 Cb 0.60 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1lgu h ARG 96 CO -0.04 0.62 0.04 0.00 -1.07 0.00 0.00 179.97 179.52 1lgu h ALA 98 N 1.21 1.24 -0.34 0.00 0.00 -0.63 -1.08 119.26 119.65 1lgu h ALA 98 Ca 0.16 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1lgu h ALA 98 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1lgu h ALA 98 CO 0.02 0.56 -0.39 0.00 0.00 0.00 0.00 179.25 179.44 1lgu h ALA 99 N 1.35 0.67 -0.50 0.00 0.00 -0.61 -2.47 119.26 117.70 1lgu h ALA 99 Ca 0.22 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1lgu h ALA 99 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1lgu h ALA 99 CO -0.02 0.67 0.32 0.82 0.00 0.00 0.00 179.25 181.04 1lgu h ILE 100 N 0.67 1.11 -0.31 0.00 2.04 -0.84 -1.76 117.51 118.42 1lgu h ILE 100 Ca 0.06 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.76 1lgu h ILE 100 Cb 0.95 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.35 1lgu h ILE 100 CO 0.09 0.12 -0.30 -1.13 0.00 0.00 0.00 178.15 176.93 1lgu h ASN 101 N 0.66 -0.97 -0.69 1.72 -0.73 -1.00 0.19 115.58 114.76 1lgu h ASN 101 Ca 0.19 0.17 -0.00 0.00 1.87 0.00 0.00 56.30 58.52 1lgu h ASN 101 Cb -0.06 0.45 -0.03 0.00 0.27 0.00 0.00 38.32 38.95 1lgu h ASN 101 CO -0.05 -0.31 0.43 1.56 -0.37 0.00 0.00 177.43 178.68 1lgu h GLN 102 N -0.27 0.94 -0.55 6.67 4.20 -1.28 -1.62 115.11 123.19 1lgu h GLN 102 Ca 0.15 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1lgu h GLN 102 Cb 0.52 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1lgu h GLN 102 CO -0.46 0.65 0.06 0.28 -0.67 0.00 0.00 178.83 178.69 1lgu h VAL 103 N 0.95 1.25 -0.77 -0.54 2.07 -0.31 0.18 116.25 119.07 1lgu h VAL 103 Ca 0.25 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1lgu h VAL 103 Cb -0.05 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1lgu h VAL 103 CO -0.05 0.36 0.35 0.15 0.02 0.00 0.00 177.57 178.39 1lgu h PHE 104 N 0.85 1.12 0.05 1.57 3.57 -0.14 0.19 116.94 124.15 1lgu h PHE 104 Ca 0.17 -0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 1lgu h PHE 104 Cb 0.42 -0.35 0.02 0.00 2.79 0.00 0.00 35.95 38.83 1lgu h PHE 104 CO 0.03 0.83 -0.67 0.37 -2.23 0.00 0.00 178.31 176.63 1lgu h GLN 105 N 1.10 0.36 -0.01 1.11 4.15 -0.95 -3.40 115.11 117.48 1lgu h GLN 105 Ca 0.26 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1lgu h GLN 105 Cb 0.15 0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1lgu h GLN 105 CO -0.03 1.15 -0.05 0.00 -1.93 0.00 0.00 178.83 177.97 1lgu n MET 106 N -4.19 1.05 0.00 1.69 0.00 0.59 -5.10 117.12 111.15 1lgu n MET 106 Ca -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 57.70 56.94 1lgu n MET 106 Cb 0.73 -1.02 0.00 0.00 0.00 0.00 0.00 33.22 32.93 1lgu n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1lgu n GLY 107 N 0.49 -2.00 0.34 3.17 0.00 0.65 -3.90 105.19 103.93 1lgu n GLY 107 Ca 0.03 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.55 1lgu n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lgu h GLU 108 N 0.00 1.00 0.01 1.61 4.81 -1.93 -2.00 114.58 118.08 1lgu h GLU 108 Ca 0.00 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1lgu h GLU 108 Cb 0.00 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1lgu h GLU 108 CO 0.00 0.75 -0.02 1.79 -0.73 0.00 0.00 179.01 180.81 1lgu h THR 109 N 1.01 0.00 -0.27 0.32 1.35 -1.96 0.13 112.91 113.49 1lgu h THR 109 Ca 0.25 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.18 1lgu h THR 109 Cb 0.06 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.41 1lgu h THR 109 CO -0.04 0.00 -0.20 1.23 -0.25 0.00 0.00 175.52 176.26 1lgu h GLY 110 N -0.03 -0.05 1.01 5.82 0.00 -1.62 -1.48 103.07 106.71 1lgu h GLY 110 Ca -0.00 0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.60 1lgu h GLY 110 CO -0.01 -0.19 0.65 -2.08 0.00 0.00 0.00 176.54 174.92 1lgu h VAL 111 N -0.19 1.23 -0.58 4.60 2.07 -1.37 -0.41 116.25 121.62 1lgu h VAL 111 Ca 0.15 -0.45 0.17 0.00 0.82 0.00 0.00 66.70 67.39 1lgu h VAL 111 Cb 0.41 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1lgu h VAL 111 CO -0.38 0.24 0.43 0.00 0.02 0.00 0.00 177.57 177.88 1lgu h ALA 112 N 1.40 2.50 0.00 1.67 0.00 0.33 -1.19 119.26 123.97 1lgu h ALA 112 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1lgu h ALA 112 Cb -0.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1lgu h ALA 112 CO -0.09 -0.73 0.00 0.41 0.00 0.00 0.00 179.25 178.84 1lgu n GLY 113 N -1.63 -1.14 2.18 0.00 0.00 -0.16 -4.02 105.19 100.41 1lgu n GLY 113 Ca 0.11 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1lgu n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1lgu n PHE 114 N -1.31 1.16 -0.23 1.61 3.01 -0.45 -4.73 117.46 116.52 1lgu n PHE 114 Ca 0.11 -1.80 -0.01 0.00 1.01 0.00 0.00 57.45 56.76 1lgu n PHE 114 Cb 0.21 -1.26 0.06 0.00 -0.01 0.00 0.00 39.48 38.48 1lgu n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1lgu h THR 115 N 1.69 0.28 -0.57 4.37 2.02 -1.80 0.34 112.91 119.23 1lgu h THR 115 Ca 0.30 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.39 1lgu h THR 115 Cb 0.94 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1lgu h THR 115 CO 0.66 0.00 0.01 0.78 0.37 0.00 0.00 175.52 177.35 1lgu h ASN 116 N -0.03 0.98 0.21 4.18 2.35 -1.95 -1.21 115.58 120.11 1lgu h ASN 116 Ca 0.31 -0.30 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 1lgu h ASN 116 Cb 0.52 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1lgu h ASN 116 CO -0.71 1.04 -0.43 0.28 -1.65 0.00 0.00 177.43 175.96 1lgu h SER 117 N 0.89 0.29 -0.57 5.81 0.02 -1.65 -1.53 113.55 116.81 1lgu h SER 117 Ca 0.16 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1lgu h SER 117 Cb 0.53 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1lgu h SER 117 CO 0.03 0.69 0.30 -0.07 -1.14 0.00 0.00 176.83 176.64 1lgu h LEU 118 N 0.23 0.73 -0.71 5.07 3.38 0.05 0.15 115.31 124.21 1lgu h LEU 118 Ca 0.02 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1lgu h LEU 118 Cb 0.86 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1lgu h LEU 118 CO 0.07 0.63 0.04 0.03 0.09 0.00 0.00 178.44 179.30 1lgu h ARG 119 N 0.77 1.04 -0.84 1.13 3.08 -0.86 0.22 114.38 118.91 1lgu h ARG 119 Ca 0.20 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1lgu h ARG 119 Cb 0.07 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1lgu h ARG 119 CO -0.03 0.99 0.50 0.52 -1.07 0.00 0.00 179.97 180.88 1lgu h MET 120 N 0.96 1.14 -0.60 0.04 2.86 -0.40 0.58 114.93 119.52 1lgu h MET 120 Ca 0.18 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1lgu h MET 120 Cb 0.50 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1lgu h MET 120 CO 0.02 0.81 0.07 -0.07 1.06 0.00 0.00 176.91 178.80 1lgu h LEU 121 N 1.15 0.94 -0.79 1.22 3.38 -0.33 -1.46 115.31 119.42 1lgu h LEU 121 Ca 0.30 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1lgu h LEU 121 Cb -0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1lgu h LEU 121 CO -0.06 0.96 0.13 -0.61 0.09 0.00 0.00 178.44 178.95 1lgu h GLN 122 N 0.92 1.03 0.00 1.13 4.15 0.04 -1.29 115.11 121.10 1lgu h GLN 122 Ca 0.18 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1lgu h GLN 122 Cb 0.44 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1lgu h GLN 122 CO 0.02 0.94 0.00 1.04 -1.93 0.00 0.00 178.83 178.89 1lgu n GLN 123 N -4.23 0.88 -2.35 1.69 6.02 0.10 -4.91 117.38 114.59 1lgu n GLN 123 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.92 1lgu n GLN 123 Cb 0.27 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1lgu n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1lgu n LYS 124 N -1.03 -1.41 -2.81 -1.09 5.02 -0.49 -4.97 118.16 111.39 1lgu n LYS 124 Ca 0.22 0.53 -0.43 0.00 -2.02 0.00 0.00 58.31 56.60 1lgu n LYS 124 Cb 0.11 -4.61 0.01 0.00 -0.02 0.00 0.00 35.03 30.52 1lgu n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1lgu n ARG 125 N -2.20 4.02 0.00 1.97 1.74 -0.79 -4.88 116.66 116.52 1lgu n ARG 125 Ca -0.11 -4.15 -0.10 0.00 -0.77 0.00 0.00 57.85 52.72 1lgu n ARG 125 Cb 0.59 -2.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.30 1lgu n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1lgu h TRP 126 N 5.79 -0.67 -0.55 -1.55 -0.00 -1.89 0.23 115.95 117.31 1lgu h TRP 126 Ca 0.27 0.03 -0.08 0.00 -0.00 0.00 0.00 58.89 59.12 1lgu h TRP 126 Cb 0.66 0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 30.11 1lgu h TRP 126 CO 1.07 -0.33 0.03 -0.44 -0.00 0.00 0.00 178.44 178.78 1lgu h ASP 127 N -0.32 0.89 -0.31 -3.49 5.19 -1.90 -1.37 116.42 115.13 1lgu h ASP 127 Ca 0.10 -0.22 -0.05 0.00 -0.62 0.00 0.00 57.03 56.24 1lgu h ASP 127 Cb 0.47 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1lgu h ASP 127 CO -0.31 0.93 -0.02 -0.33 -3.12 0.00 0.00 179.24 176.40 1lgu h GLU 128 N 0.86 0.55 -0.89 3.56 5.08 -1.84 -1.84 114.58 120.06 1lgu h GLU 128 Ca 0.17 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1lgu h GLU 128 Cb 0.47 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1lgu h GLU 128 CO 0.02 0.70 0.58 0.00 -1.00 0.00 0.00 179.01 179.31 1lgu h ALA 129 N 0.83 1.16 -0.67 3.43 0.00 -0.32 -2.24 119.26 121.44 1lgu h ALA 129 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1lgu h ALA 129 Cb 0.46 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1lgu h ALA 129 CO 0.02 0.45 0.28 0.00 0.00 0.00 0.00 179.25 180.00 1lgu h ALA 130 N 1.36 0.87 -0.50 0.00 0.00 -0.95 0.41 119.26 120.45 1lgu h ALA 130 Ca 0.35 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1lgu h ALA 130 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1lgu h ALA 130 CO -0.11 0.49 -0.09 0.28 0.00 0.00 0.00 179.25 179.82 1lgu h VAL 131 N 0.95 1.27 -0.07 0.00 2.07 -1.07 -2.91 116.25 116.49 1lgu h VAL 131 Ca 0.23 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.54 1lgu h VAL 131 Cb 0.20 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1lgu h VAL 131 CO -0.02 0.43 -0.02 -1.13 0.02 0.00 0.00 177.57 176.84 1lgu h ASN 132 N 0.80 -0.08 -0.51 0.57 -0.73 -0.78 -1.67 115.58 113.19 1lgu h ASN 132 Ca 0.13 0.02 0.14 0.00 1.87 0.00 0.00 56.30 58.47 1lgu h ASN 132 Cb 0.64 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.26 1lgu h ASN 132 CO 0.04 -0.03 0.37 -0.07 -0.37 0.00 0.00 177.43 177.37 1lgu h LEU 133 N -0.01 0.03 -0.04 0.34 3.38 -0.15 -0.53 115.31 118.33 1lgu h LEU 133 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1lgu h LEU 133 Cb 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1lgu h LEU 133 CO -0.07 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.47 1lgu n ALA 134 N -2.63 2.24 -2.65 1.53 0.00 -0.63 -4.00 120.51 114.37 1lgu n ALA 134 Ca 0.09 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 1lgu n ALA 134 Cb 0.57 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1lgu n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1lgu n LYS 135 N -1.94 3.68 -3.50 0.00 5.02 -0.21 -4.69 118.16 116.53 1lgu n LYS 135 Ca 0.06 -3.81 -0.15 0.00 -2.02 0.00 0.00 58.31 52.39 1lgu n LYS 135 Cb 0.37 -2.87 -0.04 0.00 -0.02 0.00 0.00 35.03 32.47 1lgu n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1lgu s SER 136 N 1.01 -0.56 0.24 4.39 1.04 -1.26 -5.01 113.70 113.55 1lgu s SER 136 Ca 0.39 0.29 -0.06 0.00 0.48 0.00 0.00 55.95 57.05 1lgu s SER 136 Cb 0.05 0.55 0.34 0.00 0.10 0.00 0.00 66.02 67.05 1lgu s SER 136 CO 0.01 -0.78 1.84 -0.09 0.98 0.00 0.00 173.24 175.20 1lgu h ARG 137 N 2.55 0.89 -0.54 4.02 2.43 -1.92 -1.83 114.38 119.98 1lgu h ARG 137 Ca -0.31 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 58.92 1lgu h ARG 137 Cb 1.23 -0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 30.47 1lgu h ARG 137 CO 0.39 0.59 -0.19 2.35 -1.51 0.00 0.00 179.97 181.60 1lgu h TRP 138 N 0.92 -0.47 -0.43 2.20 7.01 -1.95 0.47 115.95 123.69 1lgu h TRP 138 Ca 0.37 0.05 -0.07 0.00 2.11 0.00 0.00 58.89 61.35 1lgu h TRP 138 Cb 0.20 0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 1lgu h TRP 138 CO -0.04 -0.29 -0.02 -0.92 -2.79 0.00 0.00 178.44 174.38 1lgu h TYR 139 N -0.07 0.85 -0.73 2.65 3.20 -1.70 -1.14 116.97 120.04 1lgu h TYR 139 Ca 0.25 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1lgu h TYR 139 Cb 0.46 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1lgu h TYR 139 CO -0.50 0.85 0.41 -0.91 -1.64 0.00 0.00 178.16 176.37 1lgu h ASN 140 N 0.62 0.89 0.65 -2.11 4.21 -0.50 0.91 115.58 120.26 1lgu h ASN 140 Ca 0.12 -0.06 -0.27 0.00 1.21 0.00 0.00 56.30 57.30 1lgu h ASN 140 Cb 0.52 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.45 1lgu h ASN 140 CO 0.03 0.71 -1.47 1.56 -1.29 0.00 0.00 177.43 176.97 1lgu h GLN 141 N 1.02 0.02 -2.02 0.81 1.08 -0.03 -3.40 115.11 112.59 1lgu h GLN 141 Ca 0.26 -0.03 -0.55 0.00 -1.45 0.00 0.00 58.65 56.88 1lgu h GLN 141 Cb 0.00 0.01 -0.39 0.00 -0.05 0.00 0.00 27.48 27.05 1lgu h GLN 141 CO -0.04 0.71 -1.09 0.25 -0.95 0.00 0.00 178.83 177.70 1lgu n THR 142 N -3.18 -0.35 -0.37 -0.54 -2.24 -0.44 -4.99 114.28 102.17 1lgu n THR 142 Ca -0.11 -4.22 -0.02 0.00 -2.27 0.00 0.00 64.05 57.42 1lgu n THR 142 Cb 1.01 -1.63 0.11 0.00 -2.10 0.00 0.00 70.33 67.72 1lgu n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1lgu h PRO 143 N 3.80 1.29 -0.44 -0.78 0.13 -1.00 -1.32 132.00 133.68 1lgu h PRO 143 Ca 0.08 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 65.01 1lgu h PRO 143 Cb 0.88 -0.29 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1lgu h PRO 143 CO 0.50 0.85 -0.23 -0.91 -0.23 0.00 0.00 178.00 177.98 1lgu h ASN 144 N 1.33 0.94 -0.15 1.44 2.35 -1.94 0.32 115.58 119.87 1lgu h ASN 144 Ca 0.36 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1lgu h ASN 144 Cb -0.15 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 37.96 1lgu h ASN 144 CO -0.08 1.13 -0.12 -0.09 -1.65 0.00 0.00 177.43 176.62 1lgu h ARG 145 N 0.79 0.35 -0.84 0.81 2.43 -1.95 -2.47 114.38 113.50 1lgu h ARG 145 Ca 0.10 -0.17 0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1lgu h ARG 145 Cb 0.79 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.29 1lgu h ARG 145 CO 0.07 0.71 0.55 0.00 -1.51 0.00 0.00 179.97 179.78 1lgu h ALA 146 N 0.63 1.58 -0.96 2.80 0.00 -1.12 1.00 119.26 123.19 1lgu h ALA 146 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1lgu h ALA 146 Cb 0.63 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1lgu h ALA 146 CO 0.03 0.30 0.64 0.87 0.00 0.00 0.00 179.25 181.09 1lgu h LYS 147 N 0.93 1.27 -0.73 0.00 1.57 -0.17 -1.15 116.57 118.28 1lgu h LYS 147 Ca 0.36 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1lgu h LYS 147 Cb 0.21 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1lgu h LYS 147 CO -0.13 0.84 0.39 0.00 -0.57 0.00 0.00 179.45 179.98 1lgu h ARG 148 N 1.30 1.03 -0.39 3.15 3.08 -0.39 0.79 114.38 122.95 1lgu h ARG 148 Ca 0.35 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 60.13 1lgu h ARG 148 Cb -0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.69 1lgu h ARG 148 CO -0.08 0.78 -0.34 0.28 -1.07 0.00 0.00 179.97 179.55 1lgu h VAL 149 N 1.01 1.27 -0.64 2.04 2.07 -0.60 -1.85 116.25 119.55 1lgu h VAL 149 Ca 0.26 -1.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.20 1lgu h VAL 149 Cb 0.06 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1lgu h VAL 149 CO -0.04 0.50 0.10 0.40 0.02 0.00 0.00 177.57 178.55 1lgu h ILE 150 N 0.75 1.26 -0.00 4.57 2.04 -1.14 0.65 117.51 125.64 1lgu h ILE 150 Ca 0.07 -1.02 -0.09 0.00 1.00 0.00 0.00 64.86 64.82 1lgu h ILE 150 Cb 0.91 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1lgu h ILE 150 CO 0.08 0.38 -0.42 0.74 0.00 0.00 0.00 178.15 178.93 1lgu h THR 151 N 0.99 1.31 -0.29 -0.27 2.02 -0.62 0.98 112.91 117.02 1lgu h THR 151 Ca 0.20 -1.46 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 1lgu h THR 151 Cb 0.43 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1lgu h THR 151 CO 0.01 0.42 0.09 0.74 0.37 0.00 0.00 175.52 177.15 1lgu h THR 152 N 0.00 1.20 -0.12 3.16 2.02 -0.47 0.02 112.91 118.72 1lgu h THR 152 Ca -0.00 -0.65 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 1lgu h THR 152 Cb 0.75 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1lgu h THR 152 CO 0.06 0.22 -0.30 -0.26 0.37 0.00 0.00 175.52 175.60 1lgu h PHE 153 N 0.31 0.26 -0.49 3.16 0.05 -0.48 0.55 116.94 120.29 1lgu h PHE 153 Ca 0.09 -0.05 -0.13 0.00 3.82 0.00 0.00 57.97 61.70 1lgu h PHE 153 Cb 0.25 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.12 1lgu h PHE 153 CO 0.01 0.52 -0.19 -0.09 -0.18 0.00 0.00 178.31 178.38 1lgu h ARG 154 N 0.21 0.99 0.00 1.51 2.43 -0.26 -3.36 114.38 115.90 1lgu h ARG 154 Ca 0.03 -0.41 -0.10 0.00 -0.81 0.00 0.00 59.98 58.69 1lgu h ARG 154 Cb 0.64 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1lgu h ARG 154 CO 0.05 1.08 -1.90 0.25 -1.51 0.00 0.00 179.97 177.95 1lgu n THR 155 N -4.12 0.37 -1.13 0.20 -2.24 -0.06 -4.75 114.28 102.55 1lgu n THR 155 Ca 0.00 -0.49 -0.05 0.00 -2.27 0.00 0.00 64.05 61.25 1lgu n THR 155 Cb 0.44 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 1lgu n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lgu n GLY 156 N 1.68 0.69 3.50 3.38 0.00 0.18 -5.01 105.19 109.60 1lgu n GLY 156 Ca -0.11 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 1lgu n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lgu s THR 157 N -1.97 0.90 -0.55 2.61 -4.23 -1.26 -4.76 115.64 106.39 1lgu s THR 157 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1lgu s THR 157 Cb 0.00 -2.55 0.73 0.00 1.34 0.00 0.00 72.50 72.03 1lgu s THR 157 CO 0.00 0.00 1.62 0.79 -0.54 0.00 0.00 174.62 176.49 1lgu n TRP 158 N -0.82 1.77 -0.04 3.99 7.02 -1.26 -4.63 117.44 123.47 1lgu n TRP 158 Ca -0.05 -0.63 0.14 0.00 -1.02 0.00 0.00 57.50 55.94 1lgu n TRP 158 Cb 0.66 -0.41 0.57 0.00 -2.42 0.00 0.00 31.31 29.70 1lgu n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1lgu h ASP 159 N 3.70 0.23 0.78 -0.99 3.32 -1.96 -1.04 116.42 120.46 1lgu h ASP 159 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1lgu h ASP 159 Cb 1.73 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 41.23 1lgu h ASP 159 CO 0.39 0.14 -0.07 0.00 -1.72 0.00 0.00 179.24 177.98 1lgu h ALA 160 N 1.73 1.05 -0.12 3.45 0.00 -1.88 0.23 119.26 123.71 1lgu h ALA 160 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1lgu h ALA 160 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1lgu h ALA 160 CO -0.05 0.08 0.00 0.66 0.00 0.00 0.00 179.25 179.94 1lgu n TYR 161 N -3.24 0.12 -0.48 0.00 4.02 -0.45 -4.97 117.16 112.16 1lgu n TYR 161 Ca -0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1lgu n TYR 161 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 1lgu n TYR 161 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21