#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqs n THR 3 N 0.00 2.31 -3.19 2.61 -1.04 -1.26 -4.67 114.28 109.04 1lqs n THR 3 Ca 0.00 -2.28 -0.21 0.00 -2.04 0.00 0.00 64.05 59.53 1lqs n THR 3 Cb 0.00 -2.27 -0.05 0.00 -1.82 0.00 0.00 70.33 66.20 1lqs n THR 3 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1lqs n GLU 4 N 7.80 0.91 -2.24 -2.82 4.07 -1.26 -4.51 120.64 122.59 1lqs n GLU 4 Ca 0.47 -3.35 -0.33 0.00 -0.06 0.00 0.00 57.16 53.89 1lqs n GLU 4 Cb 0.44 -1.53 -0.01 0.00 -0.06 0.00 0.00 31.44 30.29 1lqs n GLU 4 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1lqs s LEU 5 N -1.96 3.64 0.52 4.31 1.43 -1.26 -4.96 118.68 120.40 1lqs s LEU 5 Ca 0.38 1.89 -0.21 0.00 -1.03 0.00 0.00 54.13 55.16 1lqs s LEU 5 Cb 0.28 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.89 1lqs s LEU 5 CO -0.09 -1.04 1.16 -2.16 0.23 0.00 0.00 176.35 174.45 1lqs s PRO 6 N -3.71 3.44 0.29 1.29 0.04 -1.26 -4.07 135.00 131.02 1lqs s PRO 6 Ca 0.66 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 63.37 1lqs s PRO 6 Cb -0.17 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1lqs s PRO 6 CO 0.30 -0.80 0.56 -1.54 0.04 0.00 0.00 177.00 175.56 1lqs s SER 7 N -1.58 6.43 0.08 6.66 1.04 -1.26 -4.67 113.70 120.40 1lqs s SER 7 Ca 0.70 0.70 -0.35 0.00 0.48 0.00 0.00 55.95 57.48 1lqs s SER 7 Cb -0.27 -2.14 -0.14 0.00 0.10 0.00 0.00 66.02 63.57 1lqs s SER 7 CO 0.31 -0.21 1.58 -2.65 0.98 0.00 0.00 173.24 173.26 1lqs n PRO 8 N -1.00 1.89 -0.34 4.02 -0.02 -1.26 -4.84 135.00 133.44 1lqs n PRO 8 Ca -0.02 0.68 0.15 0.00 -2.02 0.00 0.00 63.50 62.30 1lqs n PRO 8 Cb 0.54 -2.43 0.36 0.00 -0.02 0.00 0.00 33.50 31.95 1lqs n PRO 8 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1lqs h PRO 9 N 6.20 0.65 -2.82 0.52 0.11 -1.82 -3.45 132.00 131.39 1lqs h PRO 9 Ca -0.46 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1lqs h PRO 9 Cb 1.28 -0.15 -0.14 0.00 0.11 0.00 0.00 31.00 32.10 1lqs h PRO 9 CO 0.88 0.43 0.13 -1.54 -0.21 0.00 0.00 178.00 177.69 1lqs s SER 10 N -5.34 -0.52 -0.03 -2.05 1.04 -1.26 -5.03 113.70 100.51 1lqs s SER 10 Ca -0.11 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1lqs s SER 10 Cb 0.26 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.95 1lqs s SER 10 CO 0.80 -0.84 -0.00 -0.69 0.98 0.00 0.00 173.24 173.49 1lqs s VAL 11 N -3.01 0.20 0.18 5.02 1.01 -1.26 -2.58 120.40 119.96 1lqs s VAL 11 Ca -0.02 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 1lqs s VAL 11 Cb -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.10 1lqs s VAL 11 CO -0.06 0.15 0.43 -1.66 0.00 0.00 0.00 175.10 173.95 1lqs s TRP 12 N 1.00 0.06 0.19 5.22 -2.14 -0.10 -4.15 118.94 119.01 1lqs s TRP 12 Ca -0.10 -0.41 0.05 0.00 2.66 0.00 0.00 56.10 58.30 1lqs s TRP 12 Cb -0.14 0.22 -0.04 0.00 -3.10 0.00 0.00 33.47 30.42 1lqs s TRP 12 CO -0.02 -0.83 0.21 -0.06 -2.66 0.00 0.00 176.95 173.60 1lqs s PHE 13 N -3.90 3.26 -0.35 1.66 0.40 -1.26 -0.20 117.98 117.58 1lqs s PHE 13 Ca 0.11 -0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.45 1lqs s PHE 13 Cb 0.01 -1.53 0.14 0.00 0.51 0.00 0.00 43.02 42.15 1lqs s PHE 13 CO -0.03 0.51 0.29 -1.21 0.70 0.00 0.00 175.22 175.49 1lqs s GLU 14 N -3.38 0.55 0.22 0.44 2.02 0.01 -4.91 118.70 113.64 1lqs s GLU 14 Ca 0.33 -0.94 0.10 0.00 0.02 0.00 0.00 54.97 54.48 1lqs s GLU 14 Cb -0.10 -0.95 -0.05 0.00 0.10 0.00 0.00 34.13 33.14 1lqs s GLU 14 CO 0.26 -1.17 -0.19 0.00 0.02 0.00 0.00 175.26 174.17 1lqs s ALA 15 N 1.44 2.34 0.31 5.21 0.00 -1.26 -3.30 121.76 126.49 1lqs s ALA 15 Ca 0.16 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.46 1lqs s ALA 15 Cb -0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1lqs s ALA 15 CO -0.07 0.24 0.11 -1.21 0.00 0.00 0.00 175.76 174.83 1lqs s GLU 16 N -3.22 1.60 -0.47 0.00 2.02 -0.15 -0.51 118.70 117.96 1lqs s GLU 16 Ca 0.23 -1.90 -0.36 0.00 0.02 0.00 0.00 54.97 52.96 1lqs s GLU 16 Cb -0.05 -0.42 -0.14 0.00 0.10 0.00 0.00 34.13 33.63 1lqs s GLU 16 CO 0.10 -0.34 2.26 0.34 0.02 0.00 0.00 175.26 177.64 1lqs n PHE 17 N -0.62 1.37 -3.61 1.61 7.35 -1.25 -0.65 117.46 121.66 1lqs n PHE 17 Ca -0.01 0.37 -0.23 0.00 -0.76 0.00 0.00 57.45 56.82 1lqs n PHE 17 Cb 0.66 -2.48 0.07 0.00 0.35 0.00 0.00 39.48 38.08 1lqs n PHE 17 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1lqs n PHE 18 N 10.02 -2.54 -3.05 -5.13 3.01 -1.26 -4.75 117.46 113.77 1lqs n PHE 18 Ca 0.47 0.97 -0.15 0.00 1.01 0.00 0.00 57.45 59.74 1lqs n PHE 18 Cb 0.18 -4.85 -0.04 0.00 -0.01 0.00 0.00 39.48 34.77 1lqs n PHE 18 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1lqs n HIS 19 N -4.67 -2.47 -3.35 1.38 -0.00 0.18 -4.87 115.22 101.43 1lqs n HIS 19 Ca -0.09 -2.28 -0.46 0.00 0.46 0.00 0.00 57.72 55.34 1lqs n HIS 19 Cb 0.59 0.91 -0.03 0.00 -0.12 0.00 0.00 29.99 31.34 1lqs n HIS 19 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1lqs s HIS 20 N 0.45 3.62 -0.18 1.57 3.76 -1.26 -0.98 115.29 122.26 1lqs s HIS 20 Ca 0.32 -1.85 -0.09 0.00 -0.15 0.00 0.00 55.06 53.29 1lqs s HIS 20 Cb 0.03 -3.78 -0.05 0.00 1.11 0.00 0.00 32.58 29.90 1lqs s HIS 20 CO -0.12 -0.99 0.11 0.42 -0.85 0.00 0.00 174.74 173.30 1lqs s ILE 21 N 0.53 5.20 -0.14 0.60 1.09 -1.21 -1.02 121.20 126.25 1lqs s ILE 21 Ca 0.14 0.11 -0.14 0.00 -1.10 0.00 0.00 60.65 59.66 1lqs s ILE 21 Cb -0.16 -3.35 -0.05 0.00 -1.06 0.00 0.00 42.46 37.84 1lqs s ILE 21 CO -0.06 0.47 0.31 -0.22 -0.10 0.00 0.00 174.94 175.34 1lqs s LEU 22 N 0.21 4.27 0.15 2.97 2.96 0.11 -0.81 118.68 128.53 1lqs s LEU 22 Ca 0.07 0.57 0.10 0.00 -0.22 0.00 0.00 54.13 54.64 1lqs s LEU 22 Cb -0.12 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1lqs s LEU 22 CO -0.01 0.12 -0.22 -1.00 -1.32 0.00 0.00 176.35 173.92 1lqs s HIS 23 N 0.31 2.04 -0.07 5.38 3.76 0.71 -1.18 115.29 126.25 1lqs s HIS 23 Ca 0.18 -0.41 -0.30 0.00 -0.15 0.00 0.00 55.06 54.38 1lqs s HIS 23 Cb -0.13 -1.06 0.07 0.00 1.11 0.00 0.00 32.58 32.56 1lqs s HIS 23 CO 0.05 0.34 0.67 1.67 -0.85 0.00 0.00 174.74 176.61 1lqs s TRP 24 N -1.47 -0.65 0.64 1.40 -2.14 -1.02 -0.92 118.94 114.77 1lqs s TRP 24 Ca 0.14 1.17 -0.11 0.00 2.66 0.00 0.00 56.10 59.95 1lqs s TRP 24 Cb -0.08 0.38 -0.03 0.00 -3.10 0.00 0.00 33.47 30.64 1lqs s TRP 24 CO 0.07 -0.58 1.04 0.95 -2.66 0.00 0.00 176.95 175.77 1lqs s THR 25 N -1.05 4.49 0.39 0.66 -4.23 -1.06 -4.78 115.64 110.06 1lqs s THR 25 Ca -0.10 0.81 -0.19 0.00 -1.18 0.00 0.00 61.69 61.03 1lqs s THR 25 Cb -0.01 -3.78 -0.10 0.00 1.34 0.00 0.00 72.50 69.95 1lqs s THR 25 CO 0.09 -1.06 0.87 -2.16 -0.54 0.00 0.00 174.62 171.82 1lqs s PRO 26 N -5.20 4.14 0.09 3.99 0.04 -1.26 -4.44 135.00 132.36 1lqs s PRO 26 Ca 0.56 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1lqs s PRO 26 Cb -0.11 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1lqs s PRO 26 CO 0.54 0.04 0.95 0.96 0.04 0.00 0.00 177.00 179.53 1lqs s ILE 27 N -2.11 4.59 0.30 0.56 -4.36 -1.26 -4.63 121.20 114.28 1lqs s ILE 27 Ca 0.59 2.04 -0.29 0.00 -0.26 0.00 0.00 60.65 62.73 1lqs s ILE 27 Cb -0.09 -4.31 -0.13 0.00 1.25 0.00 0.00 42.46 39.17 1lqs s ILE 27 CO 0.15 0.29 1.26 -0.81 0.24 0.00 0.00 174.94 176.06 1lqs n PRO 28 N 3.01 1.90 -1.92 0.37 -0.04 -1.26 -1.95 135.00 135.11 1lqs n PRO 28 Ca 0.03 0.67 -0.09 0.00 -0.04 0.00 0.00 63.50 64.07 1lqs n PRO 28 Cb 0.50 -2.22 -0.01 0.00 -0.04 0.00 0.00 33.50 31.72 1lqs n PRO 28 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1lqs n GLN 29 N 1.03 -0.67 -1.71 0.54 3.00 -1.26 -4.90 117.38 113.41 1lqs n GLN 29 Ca 0.08 0.52 -0.43 0.00 -0.01 0.00 0.00 57.00 57.16 1lqs n GLN 29 Cb 0.33 -4.48 -0.02 0.00 0.00 0.00 0.00 30.24 26.08 1lqs n GLN 29 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1lqs n GLN 30 N -2.08 2.40 -0.91 -1.09 7.27 -0.82 -4.99 117.38 117.16 1lqs n GLN 30 Ca -0.10 0.86 -0.01 0.00 0.07 0.00 0.00 57.00 57.82 1lqs n GLN 30 Cb 0.50 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.56 1lqs n GLN 30 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1lqs n SER 31 N 2.31 0.07 0.08 1.69 3.41 -1.26 -5.03 113.62 114.90 1lqs n SER 31 Ca 0.11 -1.06 0.12 0.00 -0.26 0.00 0.00 58.87 57.78 1lqs n SER 31 Cb 0.34 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.31 1lqs n SER 31 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1lqs n GLU 32 N -1.06 0.49 -0.53 4.33 2.13 -1.26 -3.71 120.64 121.02 1lqs n GLU 32 Ca 0.01 0.09 0.10 0.00 0.66 0.00 0.00 57.16 58.02 1lqs n GLU 32 Cb 0.02 -1.76 0.35 0.00 0.27 0.00 0.00 31.44 30.32 1lqs n GLU 32 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1lqs n SER 33 N -2.44 4.50 -4.72 4.31 3.41 -1.26 -4.93 113.62 112.48 1lqs n SER 33 Ca 0.01 -2.31 -0.36 0.00 -0.26 0.00 0.00 58.87 55.95 1lqs n SER 33 Cb 0.51 -0.55 -0.08 0.00 -0.26 0.00 0.00 64.21 63.84 1lqs n SER 33 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1lqs s THR 34 N -1.58 5.35 0.26 6.66 2.01 -1.24 -4.34 115.64 122.75 1lqs s THR 34 Ca 0.50 0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.92 1lqs s THR 34 Cb 0.30 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 1lqs s THR 34 CO 0.27 0.40 0.09 0.00 -0.69 0.00 0.00 174.62 174.69 1lqs s TYR 36 N -2.49 1.38 -0.26 0.00 2.02 -0.63 -0.39 117.35 116.99 1lqs s TYR 36 Ca 0.12 -0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.48 1lqs s TYR 36 Cb 0.01 -0.90 -0.02 0.00 -0.40 0.00 0.00 41.96 40.65 1lqs s TYR 36 CO 0.09 -0.03 0.08 -2.00 -1.57 0.00 0.00 175.55 172.11 1lqs s GLU 37 N -0.33 3.55 -0.26 -0.62 2.12 0.78 -0.91 118.70 123.03 1lqs s GLU 37 Ca 0.05 -0.55 -0.09 0.00 0.36 0.00 0.00 54.97 54.74 1lqs s GLU 37 Cb -0.06 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1lqs s GLU 37 CO -0.00 -0.24 0.12 0.08 -0.54 0.00 0.00 175.26 174.67 1lqs s VAL 38 N 1.60 4.68 0.12 3.70 1.01 -0.60 -1.69 120.40 129.22 1lqs s VAL 38 Ca 0.06 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1lqs s VAL 38 Cb -0.16 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1lqs s VAL 38 CO 0.04 0.29 -0.11 0.00 0.00 0.00 0.00 175.10 175.32 1lqs s ALA 39 N 1.67 2.93 -0.06 5.51 0.00 -0.15 0.78 121.76 132.44 1lqs s ALA 39 Ca 0.07 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1lqs s ALA 39 Cb -0.15 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.15 1lqs s ALA 39 CO 0.06 0.59 -0.10 -1.17 0.00 0.00 0.00 175.76 175.14 1lqs s LEU 40 N -2.35 1.60 -0.07 0.00 2.96 -0.01 -2.35 118.68 118.45 1lqs s LEU 40 Ca 0.22 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 1lqs s LEU 40 Cb -0.10 -0.72 -0.00 0.00 0.50 0.00 0.00 46.19 45.86 1lqs s LEU 40 CO 0.14 0.02 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.75 1lqs s LEU 41 N 0.65 2.01 -0.22 -0.68 0.20 -0.76 -2.31 118.68 117.56 1lqs s LEU 41 Ca -0.13 -0.47 -0.09 0.00 0.69 0.00 0.00 54.13 54.13 1lqs s LEU 41 Cb -0.15 -1.25 -0.04 0.00 -0.43 0.00 0.00 46.19 44.32 1lqs s LEU 41 CO 0.03 0.18 0.11 -0.60 -0.29 0.00 0.00 176.35 175.78 1lqs s ARG 42 N 0.08 3.97 0.23 1.98 3.52 -1.26 0.25 118.95 127.73 1lqs s ARG 42 Ca -0.09 -0.33 -0.31 0.00 -0.13 0.00 0.00 55.73 54.87 1lqs s ARG 42 Cb -0.15 -3.37 -0.14 0.00 -1.56 0.00 0.00 34.95 29.73 1lqs s ARG 42 CO 0.05 0.12 1.30 0.66 -0.81 0.00 0.00 175.30 176.61 1lqs n TYR 43 N 4.05 1.85 0.00 5.12 4.02 0.20 -2.33 117.16 130.08 1lqs n TYR 43 Ca -0.16 0.53 0.00 0.00 -0.01 0.00 0.00 57.90 58.26 1lqs n TYR 43 Cb 0.52 -2.39 0.00 0.00 -0.02 0.00 0.00 39.34 37.45 1lqs n TYR 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lqs n GLY 44 N 1.95 0.41 2.58 2.72 0.00 -1.26 -4.74 105.19 106.85 1lqs n GLY 44 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1lqs n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lqs s ILE 45 N -2.00 -0.08 -1.02 -0.61 1.01 -0.98 -5.07 121.20 112.44 1lqs s ILE 45 Ca 0.00 -1.14 -0.26 0.00 0.00 0.00 0.00 60.65 59.24 1lqs s ILE 45 Cb 0.00 -0.98 -0.20 0.00 0.01 0.00 0.00 42.46 41.29 1lqs s ILE 45 CO 0.00 -0.77 2.18 -1.61 0.00 0.00 0.00 174.94 174.73 1lqs s GLU 46 N 1.60 1.29 -0.29 2.79 8.01 -1.26 -4.51 118.70 126.33 1lqs s GLU 46 Ca 0.14 -0.24 -0.16 0.00 0.01 0.00 0.00 54.97 54.72 1lqs s GLU 46 Cb -0.18 -4.94 0.13 0.00 -4.31 0.00 0.00 34.13 24.82 1lqs s GLU 46 CO -0.15 -5.26 0.89 -1.54 0.01 0.00 0.00 175.26 169.22 1lqs s SER 47 N 9.01 -0.64 0.05 -0.19 1.04 -1.26 -5.15 113.70 116.55 1lqs s SER 47 Ca 0.84 1.01 -0.10 0.00 0.48 0.00 0.00 55.95 58.17 1lqs s SER 47 Cb -0.07 1.28 -0.06 0.00 0.10 0.00 0.00 66.02 67.28 1lqs s SER 47 CO 0.16 -0.16 0.38 0.26 0.98 0.00 0.00 173.24 174.85 1lqs s TRP 48 N 1.47 3.61 -0.12 5.02 0.52 -1.26 -4.45 118.94 123.74 1lqs s TRP 48 Ca -0.09 0.79 -0.02 0.00 0.02 0.00 0.00 56.10 56.81 1lqs s TRP 48 Cb -0.04 -2.16 0.04 0.00 -1.15 0.00 0.00 33.47 30.16 1lqs s TRP 48 CO -0.16 0.56 0.01 -0.80 0.02 0.00 0.00 176.95 176.58 1lqs s ASN 49 N -1.59 2.08 0.14 2.95 -0.87 -0.98 -4.94 114.94 111.73 1lqs s ASN 49 Ca 0.30 -0.35 -0.31 0.00 -1.57 0.00 0.00 52.86 50.93 1lqs s ASN 49 Cb -0.14 -0.53 -0.09 0.00 -0.02 0.00 0.00 41.25 40.47 1lqs s ASN 49 CO 0.16 -0.22 1.54 -0.44 -2.57 0.00 0.00 177.10 175.56 1lqs s SER 50 N 1.91 6.65 -0.14 -1.22 0.01 -1.26 -0.83 113.70 118.81 1lqs s SER 50 Ca 0.03 2.53 -0.02 0.00 1.31 0.00 0.00 55.95 59.80 1lqs s SER 50 Cb -0.14 -2.59 -0.24 0.00 0.21 0.00 0.00 66.02 63.26 1lqs s SER 50 CO -0.06 -0.79 0.28 -0.38 0.41 0.00 0.00 173.24 172.70 1lqs n ILE 51 N 4.06 1.69 -3.89 1.44 2.08 0.23 -4.88 119.36 120.11 1lqs n ILE 51 Ca 0.14 -0.67 -0.20 0.00 0.56 0.00 0.00 62.75 62.58 1lqs n ILE 51 Cb 0.40 -1.54 -0.17 0.00 -0.75 0.00 0.00 39.64 37.58 1lqs n ILE 51 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1lqs s SER 52 N -6.76 1.05 0.01 4.38 0.15 -1.01 -5.00 113.70 106.51 1lqs s SER 52 Ca -0.22 -0.06 -0.20 0.00 0.70 0.00 0.00 55.95 56.17 1lqs s SER 52 Cb 0.07 -0.34 -0.22 0.00 -1.71 0.00 0.00 66.02 63.83 1lqs s SER 52 CO 0.75 -0.14 1.13 -0.61 1.20 0.00 0.00 173.24 175.57 1lqs h GLN 53 N 7.78 0.40 -2.43 5.44 5.75 -1.87 -1.59 115.11 128.58 1lqs h GLN 53 Ca -0.30 -0.39 -0.48 0.00 -0.15 0.00 0.00 58.65 57.34 1lqs h GLN 53 Cb 1.13 0.10 -0.37 0.00 1.07 0.00 0.00 27.48 29.42 1lqs h GLN 53 CO 0.36 1.05 -0.76 0.00 -2.65 0.00 0.00 178.83 176.83 1lqs s SER 55 N 1.67 4.75 -1.30 0.00 0.15 -0.09 -4.83 113.70 114.05 1lqs s SER 55 Ca 0.14 -0.35 -0.06 0.00 0.70 0.00 0.00 55.95 56.38 1lqs s SER 55 Cb -0.18 -1.83 0.14 0.00 -1.71 0.00 0.00 66.02 62.44 1lqs s SER 55 CO -0.17 -0.05 2.28 0.00 1.20 0.00 0.00 173.24 176.50 1lqs n GLN 56 N 4.86 4.49 -4.08 5.44 6.02 -1.26 -1.60 117.38 131.24 1lqs n GLN 56 Ca -0.17 -3.53 -0.16 0.00 -0.01 0.00 0.00 57.00 53.13 1lqs n GLN 56 Cb 0.51 -2.67 -0.04 0.00 1.02 0.00 0.00 30.24 29.06 1lqs n GLN 56 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1lqs n THR 57 N 1.89 0.00 -0.20 5.09 -2.24 -1.26 -5.05 114.28 112.51 1lqs n THR 57 Ca 0.58 -1.99 0.03 0.00 -2.27 0.00 0.00 64.05 60.41 1lqs n THR 57 Cb 0.26 1.15 0.08 0.00 -2.10 0.00 0.00 70.33 69.72 1lqs n THR 57 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1lqs n LEU 58 N 0.00 2.49 -3.55 3.22 4.77 -1.26 -4.84 117.00 117.83 1lqs n LEU 58 Ca 0.03 -2.13 -0.11 0.00 -0.03 0.00 0.00 56.01 53.77 1lqs n LEU 58 Cb 0.60 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1lqs n LEU 58 CO 0.30 0.61 0.29 -0.94 -1.33 0.00 0.00 177.39 176.33 1lqs s SER 59 N -1.18 -0.39 -0.20 -1.43 1.04 -1.26 -2.44 113.70 107.83 1lqs s SER 59 Ca 0.14 -0.20 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 1lqs s SER 59 Cb 0.08 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.82 1lqs s SER 59 CO 0.07 -0.95 0.50 -0.47 0.98 0.00 0.00 173.24 173.38 1lqs s TYR 60 N -3.79 -0.72 -0.54 5.02 5.04 -0.32 -4.98 117.35 117.05 1lqs s TYR 60 Ca 0.03 1.53 -0.26 0.00 -2.44 0.00 0.00 57.07 55.93 1lqs s TYR 60 Cb -0.00 0.35 0.03 0.00 0.35 0.00 0.00 41.96 42.69 1lqs s TYR 60 CO -0.11 -0.38 1.05 0.34 -1.34 0.00 0.00 175.55 175.12 1lqs s ASP 61 N 1.25 6.43 0.00 4.32 3.68 -1.26 -0.72 116.67 130.37 1lqs s ASP 61 Ca -0.08 -0.04 0.15 0.00 2.13 0.00 0.00 52.55 54.72 1lqs s ASP 61 Cb -0.07 -2.49 0.44 0.00 -1.45 0.00 0.00 42.92 39.35 1lqs s ASP 61 CO -0.12 -1.31 1.37 0.18 0.13 0.00 0.00 175.17 175.42 1lqs n LEU 62 N 7.84 2.59 -0.08 -1.34 4.77 -0.19 -4.49 117.00 126.10 1lqs n LEU 62 Ca 0.06 -1.28 -0.07 0.00 -0.03 0.00 0.00 56.01 54.69 1lqs n LEU 62 Cb 0.48 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1lqs n LEU 62 CO 0.68 0.64 0.86 0.74 -1.33 0.00 0.00 177.39 178.97 1lqs h THR 63 N 2.86 0.79 -0.16 -5.08 2.02 -1.89 -1.18 112.91 110.26 1lqs h THR 63 Ca 0.00 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1lqs h THR 63 Cb 0.65 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1lqs h THR 63 CO 0.00 0.02 0.27 0.00 0.37 0.00 0.00 175.52 176.18 1lqs h ALA 64 N 1.25 1.65 -0.28 6.16 0.00 -1.94 -1.33 119.26 124.79 1lqs h ALA 64 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1lqs h ALA 64 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1lqs h ALA 64 CO -0.24 -0.35 0.00 1.33 0.00 0.00 0.00 179.25 179.99 1lqs n VAL 65 N -3.45 1.36 -2.32 0.00 0.24 -0.51 -4.54 118.33 109.11 1lqs n VAL 65 Ca 0.01 -1.27 0.04 0.00 -2.04 0.00 0.00 64.34 61.09 1lqs n VAL 65 Cb 0.38 0.28 0.06 0.00 -1.47 0.00 0.00 33.84 33.09 1lqs n VAL 65 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1lqs n THR 66 N 0.08 0.53 -0.10 3.34 -2.24 -0.51 -4.90 114.28 110.49 1lqs n THR 66 Ca 0.13 -1.57 0.17 0.00 -2.27 0.00 0.00 64.05 60.52 1lqs n THR 66 Cb 0.53 0.73 0.58 0.00 -2.10 0.00 0.00 70.33 70.07 1lqs n THR 66 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1lqs h LEU 67 N 1.06 0.23 -3.61 3.22 -0.00 -1.77 -1.62 115.31 112.82 1lqs h LEU 67 Ca -0.17 0.01 -0.44 0.00 -0.00 0.00 0.00 57.88 57.28 1lqs h LEU 67 Cb 1.69 -0.03 -0.23 0.00 -0.00 0.00 0.00 40.66 42.08 1lqs h LEU 67 CO 0.09 0.12 0.56 -0.90 -0.00 0.00 0.00 178.44 178.31 1lqs n ASP 68 N -4.43 4.71 -0.28 -0.43 5.75 -1.26 -4.43 116.55 116.17 1lqs n ASP 68 Ca 0.12 -3.31 -0.06 0.00 -0.01 0.00 0.00 54.79 51.53 1lqs n ASP 68 Cb 0.56 -0.84 0.06 0.00 -1.03 0.00 0.00 41.12 39.87 1lqs n ASP 68 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1lqs h LEU 69 N 1.39 1.05 -0.44 -2.12 5.85 -1.69 -1.25 115.31 118.09 1lqs h LEU 69 Ca 0.49 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1lqs h LEU 69 Cb 1.94 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1lqs h LEU 69 CO 0.97 0.91 0.00 -1.22 -0.34 0.00 0.00 178.44 178.76 1lqs n TYR 70 N -4.33 0.13 -2.22 1.25 4.02 -1.26 -3.01 117.16 111.74 1lqs n TYR 70 Ca 0.07 -0.06 0.01 0.00 -0.01 0.00 0.00 57.90 57.91 1lqs n TYR 70 Cb 0.16 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1lqs n TYR 70 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1lqs n HIS 71 N -0.20 0.00 -3.70 -0.72 8.25 -0.79 -5.03 115.22 113.03 1lqs n HIS 71 Ca 0.03 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1lqs n HIS 71 Cb 0.11 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1lqs n HIS 71 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1lqs n SER 72 N 0.22 1.10 -0.57 0.41 3.41 -0.54 -5.02 113.62 112.63 1lqs n SER 72 Ca 0.00 -0.70 0.07 0.00 -0.26 0.00 0.00 58.87 57.98 1lqs n SER 72 Cb 0.88 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 65.03 1lqs n SER 72 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1lqs n ASN 73 N -1.33 2.93 0.00 4.04 3.02 -1.26 -5.02 115.26 117.64 1lqs n ASN 73 Ca 0.00 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.35 1lqs n ASN 73 Cb 0.00 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1lqs n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lqs n GLY 74 N -1.01 -1.15 3.60 7.41 0.00 -1.26 -4.70 105.19 108.09 1lqs n GLY 74 Ca 0.20 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 1lqs n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lqs s TYR 75 N -2.64 2.26 0.13 1.61 1.51 -0.23 -0.63 117.35 119.36 1lqs s TYR 75 Ca 0.00 -0.81 0.06 0.00 -1.01 0.00 0.00 57.07 55.31 1lqs s TYR 75 Cb 0.00 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1lqs s TYR 75 CO 0.00 0.28 -0.14 0.50 -1.11 0.00 0.00 175.55 175.08 1lqs s ARG 76 N -3.78 1.06 0.03 -0.62 6.06 0.14 -0.84 118.95 121.00 1lqs s ARG 76 Ca 0.30 -1.27 -0.03 0.00 -2.50 0.00 0.00 55.73 52.23 1lqs s ARG 76 Cb 0.08 -0.95 -0.02 0.00 0.06 0.00 0.00 34.95 34.13 1lqs s ARG 76 CO 0.15 0.18 0.03 0.00 -2.50 0.00 0.00 175.30 173.16 1lqs s ALA 77 N -2.19 0.07 -0.03 6.12 0.00 -1.26 -1.83 121.76 122.64 1lqs s ALA 77 Ca 0.10 -0.61 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 1lqs s ALA 77 Cb -0.05 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1lqs s ALA 77 CO 0.03 -0.24 0.27 -0.98 0.00 0.00 0.00 175.76 174.84 1lqs s ARG 78 N -2.16 0.56 0.01 0.00 1.70 -0.99 0.99 118.95 119.06 1lqs s ARG 78 Ca -0.09 -0.13 0.03 0.00 -0.47 0.00 0.00 55.73 55.07 1lqs s ARG 78 Cb -0.04 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.57 1lqs s ARG 78 CO -0.03 -0.14 -0.10 0.08 -1.08 0.00 0.00 175.30 174.03 1lqs s VAL 79 N -1.05 0.78 0.02 4.99 1.01 -0.08 -0.98 120.40 125.09 1lqs s VAL 79 Ca -0.11 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1lqs s VAL 79 Cb -0.05 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1lqs s VAL 79 CO 0.03 0.07 -0.04 0.00 0.00 0.00 0.00 175.10 175.16 1lqs s ARG 80 N -0.63 0.33 0.21 2.72 1.70 -0.68 -1.55 118.95 121.04 1lqs s ARG 80 Ca 0.01 -0.55 -0.22 0.00 -0.47 0.00 0.00 55.73 54.51 1lqs s ARG 80 Cb -0.05 -0.02 -0.08 0.00 -0.57 0.00 0.00 34.95 34.22 1lqs s ARG 80 CO 0.00 -0.01 0.75 0.00 -1.08 0.00 0.00 175.30 174.96 1lqs s ALA 81 N -1.19 3.41 -0.01 7.88 0.00 -1.26 -0.16 121.76 130.43 1lqs s ALA 81 Ca -0.12 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1lqs s ALA 81 Cb -0.08 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1lqs s ALA 81 CO -0.01 0.31 -0.04 0.14 0.00 0.00 0.00 175.76 176.16 1lqs s VAL 82 N -1.41 0.35 -0.37 0.00 -7.23 0.48 -1.86 120.40 110.36 1lqs s VAL 82 Ca 0.41 -0.14 0.01 0.00 -1.81 0.00 0.00 61.98 60.45 1lqs s VAL 82 Cb -0.19 -0.33 0.14 0.00 0.56 0.00 0.00 36.38 36.57 1lqs s VAL 82 CO 0.23 0.12 0.23 -0.62 -0.31 0.00 0.00 175.10 174.75 1lqs s ASP 83 N 0.18 2.97 0.77 4.85 3.68 0.15 -0.64 116.67 128.63 1lqs s ASP 83 Ca -0.02 -2.35 0.00 0.00 2.13 0.00 0.00 52.55 52.31 1lqs s ASP 83 Cb -0.05 -0.52 0.00 0.00 -1.45 0.00 0.00 42.92 40.90 1lqs s ASP 83 CO -0.00 -0.29 0.00 0.61 0.13 0.00 0.00 175.17 175.62 1lqs n GLY 84 N 3.84 1.25 0.63 2.66 0.00 -1.26 -1.85 105.19 110.45 1lqs n GLY 84 Ca 0.13 0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.47 1lqs n GLY 84 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lqs n SER 85 N 8.42 2.27 -4.74 1.61 2.88 -1.26 -4.96 113.62 117.83 1lqs n SER 85 Ca 0.00 -1.63 -0.32 0.00 -1.33 0.00 0.00 58.87 55.58 1lqs n SER 85 Cb 0.00 0.17 -0.08 0.00 -0.75 0.00 0.00 64.21 63.55 1lqs n SER 85 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1lqs s ARG 86 N -1.74 2.91 -0.27 -1.46 0.52 -0.77 -4.86 118.95 113.27 1lqs s ARG 86 Ca 0.19 -0.58 -0.24 0.00 -0.52 0.00 0.00 55.73 54.59 1lqs s ARG 86 Cb 0.15 -2.75 0.07 0.00 0.52 0.00 0.00 34.95 32.94 1lqs s ARG 86 CO 0.31 0.62 0.71 -3.38 0.02 0.00 0.00 175.30 173.58 1lqs s HIS 87 N -1.18 -0.81 1.08 -0.53 -3.43 -1.26 0.31 115.29 109.46 1lqs s HIS 87 Ca 0.23 1.93 -0.18 0.00 -0.80 0.00 0.00 55.06 56.23 1lqs s HIS 87 Cb -0.12 0.31 0.25 0.00 -1.43 0.00 0.00 32.58 31.59 1lqs s HIS 87 CO 0.14 -0.39 1.24 -1.54 -2.00 0.00 0.00 174.74 172.19 1lqs s SER 88 N 0.52 2.02 0.87 7.38 1.04 -0.77 -4.42 113.70 120.34 1lqs s SER 88 Ca -0.01 0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.67 1lqs s SER 88 Cb -0.05 -0.46 0.12 0.00 0.10 0.00 0.00 66.02 65.73 1lqs s SER 88 CO -0.01 -3.42 1.10 -1.10 0.98 0.00 0.00 173.24 170.78 1lqs s GLN 89 N -5.72 1.45 0.52 4.02 -0.21 -1.26 -4.70 119.66 113.76 1lqs s GLN 89 Ca 0.74 0.70 -0.13 0.00 0.02 0.00 0.00 55.36 56.69 1lqs s GLN 89 Cb -0.06 -1.84 -0.06 0.00 1.00 0.00 0.00 33.01 32.05 1lqs s GLN 89 CO 0.54 -2.08 0.94 -1.58 -2.12 0.00 0.00 175.29 170.99 1lqs s TRP 90 N -3.03 3.51 -0.18 0.91 0.52 -1.26 -4.65 118.94 114.76 1lqs s TRP 90 Ca 0.63 1.28 0.01 0.00 0.02 0.00 0.00 56.10 58.04 1lqs s TRP 90 Cb -0.17 -2.66 0.03 0.00 -1.15 0.00 0.00 33.47 29.52 1lqs s TRP 90 CO 0.56 -0.39 -0.17 0.99 0.02 0.00 0.00 176.95 177.96 1lqs s THR 91 N -2.73 1.86 0.15 2.01 2.01 -0.59 -4.96 115.64 113.38 1lqs s THR 91 Ca 0.55 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.74 1lqs s THR 91 Cb -0.10 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1lqs s THR 91 CO 0.38 0.44 -0.03 0.68 -0.69 0.00 0.00 174.62 175.41 1lqs s VAL 92 N 1.36 3.64 0.46 3.82 -7.23 -1.26 -0.90 120.40 120.29 1lqs s VAL 92 Ca 0.04 -1.34 -0.23 0.00 -1.81 0.00 0.00 61.98 58.63 1lqs s VAL 92 Cb -0.14 -2.79 -0.09 0.00 0.56 0.00 0.00 36.38 33.93 1lqs s VAL 92 CO -0.11 -0.03 1.06 0.35 -0.31 0.00 0.00 175.10 176.07 1lqs n THR 93 N 0.18 2.74 1.60 5.32 -2.24 0.28 -4.72 114.28 117.44 1lqs n THR 93 Ca -0.11 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.31 1lqs n THR 93 Cb 0.54 -1.26 0.61 0.00 -2.10 0.00 0.00 70.33 68.12 1lqs n THR 93 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1lqs n ASN 94 N 0.16 1.11 -3.78 3.42 0.23 -1.26 -4.79 115.26 110.35 1lqs n ASN 94 Ca 0.10 -1.41 -0.10 0.00 -0.53 0.00 0.00 54.58 52.64 1lqs n ASN 94 Cb 0.41 -0.01 -0.07 0.00 -2.08 0.00 0.00 39.78 38.03 1lqs n ASN 94 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1lqs s THR 95 N -1.98 0.11 0.05 5.53 -4.23 -1.26 -5.13 115.64 108.73 1lqs s THR 95 Ca 0.39 -0.90 -0.31 0.00 -1.18 0.00 0.00 61.69 59.69 1lqs s THR 95 Cb 0.20 -1.18 -0.07 0.00 1.34 0.00 0.00 72.50 72.80 1lqs s THR 95 CO 0.33 -0.50 1.41 -0.60 -0.54 0.00 0.00 174.62 174.72 1lqs s ARG 96 N -3.46 4.29 -0.25 3.99 3.52 -1.26 -4.87 118.95 120.90 1lqs s ARG 96 Ca 0.02 2.02 -0.23 0.00 -0.13 0.00 0.00 55.73 57.40 1lqs s ARG 96 Cb 0.02 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1lqs s ARG 96 CO -0.09 -0.53 0.77 0.12 -0.81 0.00 0.00 175.30 174.76 1lqs s PHE 97 N 1.94 3.29 0.16 5.12 5.36 -0.02 -4.89 117.98 128.94 1lqs s PHE 97 Ca 0.65 1.00 -0.00 0.00 -0.96 0.00 0.00 56.93 57.62 1lqs s PHE 97 Cb -0.34 -3.01 0.00 0.00 -0.34 0.00 0.00 43.02 39.33 1lqs s PHE 97 CO 0.28 -0.40 0.20 -1.13 -1.46 0.00 0.00 175.22 172.72 1lqs n SER 98 N 5.95 -0.56 -0.11 6.13 3.41 -1.26 -1.06 113.62 126.11 1lqs n SER 98 Ca 0.04 -1.89 0.21 0.00 -0.26 0.00 0.00 58.87 56.96 1lqs n SER 98 Cb 0.48 1.08 0.63 0.00 -0.26 0.00 0.00 64.21 66.14 1lqs n SER 98 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1lqs h VAL 99 N 1.47 0.70 -0.89 -3.33 3.04 -1.95 -1.62 116.25 113.67 1lqs h VAL 99 Ca -0.12 -0.05 0.10 0.00 -1.01 0.00 0.00 66.70 65.61 1lqs h VAL 99 Cb 0.54 0.54 -0.06 0.00 -2.01 0.00 0.00 31.29 30.29 1lqs h VAL 99 CO 0.17 0.03 0.57 0.44 -1.01 0.00 0.00 177.57 177.77 1lqs h ASP 100 N 0.15 0.80 -0.34 3.17 3.45 -1.95 -2.22 116.42 119.48 1lqs h ASP 100 Ca 0.35 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.83 1lqs h ASP 100 Cb 1.14 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.77 1lqs h ASP 100 CO -0.05 0.47 0.00 -0.62 -1.57 0.00 0.00 179.24 177.46 1lqs n GLU 101 N -4.53 2.02 -3.26 3.56 1.02 -0.61 -4.31 120.64 114.53 1lqs n GLU 101 Ca 0.15 -1.31 -0.39 0.00 -0.02 0.00 0.00 57.16 55.59 1lqs n GLU 101 Cb 0.31 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 1lqs n GLU 101 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1lqs s VAL 102 N -1.59 4.97 0.10 2.62 1.01 -0.84 -4.48 120.40 122.19 1lqs s VAL 102 Ca 0.24 1.15 -0.27 0.00 0.00 0.00 0.00 61.98 63.10 1lqs s VAL 102 Cb 0.14 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1lqs s VAL 102 CO 0.14 0.42 0.85 -0.89 0.00 0.00 0.00 175.10 175.63 1lqs s THR 103 N -0.16 4.55 0.09 3.92 2.01 0.33 -4.53 115.64 121.86 1lqs s THR 103 Ca 0.29 1.83 -0.24 0.00 0.31 0.00 0.00 61.69 63.89 1lqs s THR 103 Cb -0.17 -4.21 -0.07 0.00 0.01 0.00 0.00 72.50 68.06 1lqs s THR 103 CO 0.16 0.38 0.72 -0.76 -0.69 0.00 0.00 174.62 174.42 1lqs s LEU 104 N -0.26 4.52 0.05 4.42 1.43 -0.04 -3.93 118.68 124.87 1lqs s LEU 104 Ca 0.41 1.47 -0.03 0.00 -1.03 0.00 0.00 54.13 54.95 1lqs s LEU 104 Cb -0.22 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1lqs s LEU 104 CO 0.27 0.15 0.03 0.42 0.23 0.00 0.00 176.35 177.45 1lqs s THR 105 N -0.70 0.18 0.09 5.49 -4.23 -1.26 -1.85 115.64 113.36 1lqs s THR 105 Ca 0.35 -1.48 0.08 0.00 -1.18 0.00 0.00 61.69 59.45 1lqs s THR 105 Cb -0.21 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 1lqs s THR 105 CO 0.23 -0.82 -0.15 0.68 -0.54 0.00 0.00 174.62 174.02 1lqs s VAL 106 N -3.44 3.00 0.01 2.29 -7.23 -1.26 -4.33 120.40 109.44 1lqs s VAL 106 Ca 0.02 -1.33 -0.23 0.00 -1.81 0.00 0.00 61.98 58.63 1lqs s VAL 106 Cb 0.04 -2.35 -0.18 0.00 0.56 0.00 0.00 36.38 34.45 1lqs s VAL 106 CO -0.08 0.18 1.29 1.23 -0.31 0.00 0.00 175.10 177.40 1lqs h GLY 107 N 3.94 0.20 -4.22 2.32 0.00 -0.48 -3.44 103.07 101.40 1lqs h GLY 107 Ca -0.49 -0.21 0.25 0.00 0.00 0.00 0.00 47.33 46.88 1lqs h GLY 107 CO 0.48 0.19 0.87 -1.35 0.00 0.00 0.00 176.54 176.74 1lqs s SER 108 N -5.94 -0.10 -0.13 0.19 1.04 -0.81 -4.98 113.70 102.97 1lqs s SER 108 Ca -0.15 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.34 1lqs s SER 108 Cb 0.03 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 1lqs s SER 108 CO 0.72 -0.13 -0.17 -0.69 0.98 0.00 0.00 173.24 173.94 1lqs s VAL 109 N -1.81 2.56 -0.27 5.02 1.01 -1.26 0.01 120.40 125.66 1lqs s VAL 109 Ca 0.09 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1lqs s VAL 109 Cb -0.01 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1lqs s VAL 109 CO -0.05 0.53 0.10 0.20 0.00 0.00 0.00 175.10 175.89 1lqs s ASN 110 N 0.57 5.31 0.11 3.32 0.01 -0.36 -4.93 114.94 118.97 1lqs s ASN 110 Ca -0.10 -0.33 0.03 0.00 -0.71 0.00 0.00 52.86 51.74 1lqs s ASN 110 Cb -0.16 -1.96 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 1lqs s ASN 110 CO 0.04 -0.10 0.18 -0.76 -1.51 0.00 0.00 177.10 174.95 1lqs s LEU 111 N 1.61 4.09 0.09 0.60 1.43 -1.26 -1.37 118.68 123.87 1lqs s LEU 111 Ca 0.06 0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 53.06 1lqs s LEU 111 Cb -0.16 -2.70 0.04 0.00 0.03 0.00 0.00 46.19 43.40 1lqs s LEU 111 CO 0.05 0.11 0.43 -0.70 0.23 0.00 0.00 176.35 176.47 1lqs s GLU 112 N -2.82 1.03 -0.04 1.70 2.12 -0.65 -4.98 118.70 115.06 1lqs s GLU 112 Ca 0.33 -0.54 0.07 0.00 0.36 0.00 0.00 54.97 55.18 1lqs s GLU 112 Cb -0.12 0.46 -0.01 0.00 0.26 0.00 0.00 34.13 34.72 1lqs s GLU 112 CO 0.26 -0.39 -0.24 0.42 -0.54 0.00 0.00 175.26 174.77 1lqs s ILE 113 N -3.23 1.93 -0.24 -3.70 1.01 -1.26 -0.83 121.20 114.89 1lqs s ILE 113 Ca -0.01 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 1lqs s ILE 113 Cb 0.01 -1.62 0.10 0.00 0.01 0.00 0.00 42.46 40.96 1lqs s ILE 113 CO -0.08 0.54 0.53 -2.28 0.00 0.00 0.00 174.94 173.65 1lqs s HIS 114 N -0.34 -1.01 -0.90 3.97 2.46 -0.09 -4.95 115.29 114.43 1lqs s HIS 114 Ca 0.03 1.86 -0.23 0.00 0.47 0.00 0.00 55.06 57.19 1lqs s HIS 114 Cb -0.11 0.52 0.03 0.00 -0.13 0.00 0.00 32.58 32.89 1lqs s HIS 114 CO 0.01 -0.54 0.53 0.09 -2.47 0.00 0.00 174.74 172.35 1lqs n ASN 115 N 5.22 -3.35 -0.95 9.88 3.02 -1.26 0.06 115.26 127.88 1lqs n ASN 115 Ca -0.12 -0.99 -0.11 0.00 -0.03 0.00 0.00 54.58 53.32 1lqs n ASN 115 Cb 0.51 -1.25 -0.04 0.00 -0.61 0.00 0.00 39.78 38.38 1lqs n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lqs n GLY 116 N -1.78 1.04 3.24 7.41 0.00 -1.26 -4.99 105.19 108.85 1lqs n GLY 116 Ca -0.12 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 1lqs n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lqs s PHE 117 N -2.45 1.68 -0.31 1.61 0.40 0.11 -0.77 117.98 118.25 1lqs s PHE 117 Ca 0.00 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.90 1lqs s PHE 117 Cb 0.00 -0.97 0.04 0.00 0.51 0.00 0.00 43.02 42.60 1lqs s PHE 117 CO 0.00 0.11 0.05 0.42 0.70 0.00 0.00 175.22 176.50 1lqs s ILE 118 N -0.93 3.45 -0.26 0.64 1.01 0.16 -0.91 121.20 124.35 1lqs s ILE 118 Ca 0.06 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.46 1lqs s ILE 118 Cb -0.09 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1lqs s ILE 118 CO 0.02 -0.08 0.18 -0.76 0.00 0.00 0.00 174.94 174.30 1lqs s LEU 119 N 1.36 4.05 -0.03 2.97 1.43 -0.01 -1.55 118.68 126.91 1lqs s LEU 119 Ca -0.02 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1lqs s LEU 119 Cb -0.19 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 1lqs s LEU 119 CO 0.01 -0.00 -0.13 -0.83 0.23 0.00 0.00 176.35 175.63 1lqs s GLY 120 N 1.46 1.60 -0.20 -3.19 0.00 0.10 -1.64 107.32 105.45 1lqs s GLY 120 Ca 0.07 -1.01 -0.00 0.00 0.00 0.00 0.00 44.72 43.78 1lqs s GLY 120 CO 0.08 -0.83 -0.04 1.25 0.00 0.00 0.00 173.10 173.56 1lqs s LYS 121 N -0.99 1.44 -0.29 2.90 2.20 -0.47 -1.01 119.74 123.52 1lqs s LYS 121 Ca 0.13 -0.71 -0.25 0.00 -0.36 0.00 0.00 55.97 54.79 1lqs s LYS 121 Cb -0.11 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.93 1lqs s LYS 121 CO 0.03 -0.53 0.84 0.42 -0.36 0.00 0.00 175.35 175.75 1lqs s ILE 122 N 1.56 4.77 -0.64 5.43 1.01 0.22 -1.22 121.20 132.33 1lqs s ILE 122 Ca -0.02 1.38 -0.18 0.00 0.00 0.00 0.00 60.65 61.83 1lqs s ILE 122 Cb -0.17 -4.17 0.12 0.00 0.01 0.00 0.00 42.46 38.25 1lqs s ILE 122 CO -0.07 -0.22 0.73 -1.10 0.00 0.00 0.00 174.94 174.28 1lqs s GLN 123 N 3.01 3.14 0.98 2.79 -1.52 0.10 -4.87 119.66 123.28 1lqs s GLN 123 Ca 0.35 -1.48 -0.12 0.00 -1.95 0.00 0.00 55.36 52.16 1lqs s GLN 123 Cb -0.14 -4.34 0.15 0.00 -0.22 0.00 0.00 33.01 28.46 1lqs s GLN 123 CO 0.11 -1.53 0.89 1.28 -0.25 0.00 0.00 175.29 175.79 1lqs n LEU 124 N 6.08 1.38 -4.75 2.90 4.77 -1.26 0.12 117.00 126.24 1lqs n LEU 124 Ca -0.05 0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 1lqs n LEU 124 Cb 0.43 -1.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.15 1lqs n LEU 124 CO 0.55 -2.74 1.04 -2.16 -1.33 0.00 0.00 177.39 172.75 1lqs s PRO 125 N -4.30 4.33 -0.64 3.23 0.04 -1.26 -4.15 135.00 132.24 1lqs s PRO 125 Ca 0.64 2.21 0.06 0.00 0.04 0.00 0.00 61.00 63.95 1lqs s PRO 125 Cb -0.22 -3.12 0.22 0.00 0.04 0.00 0.00 34.50 31.42 1lqs s PRO 125 CO 0.62 -0.31 0.64 0.54 0.04 0.00 0.00 177.00 178.54 1lqs n ARG 126 N 2.00 2.13 -1.98 4.56 1.74 -1.26 -4.55 116.66 119.29 1lqs n ARG 126 Ca 0.05 -4.48 -0.41 0.00 -0.77 0.00 0.00 57.85 52.23 1lqs n ARG 126 Cb 0.41 -2.18 -0.02 0.00 -1.02 0.00 0.00 32.46 29.65 1lqs n ARG 126 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1lqs s PRO 127 N -2.01 4.25 0.27 5.56 0.04 -1.26 -4.90 135.00 136.94 1lqs s PRO 127 Ca 0.35 2.33 -0.01 0.00 0.04 0.00 0.00 61.00 63.71 1lqs s PRO 127 Cb 0.09 -3.10 0.49 0.00 0.04 0.00 0.00 34.50 32.02 1lqs s PRO 127 CO -0.07 -0.45 1.83 0.87 0.04 0.00 0.00 177.00 179.21 1lqs h LYS 128 N 5.12 0.91 -0.03 4.56 1.57 -1.97 -0.70 116.57 126.03 1lqs h LYS 128 Ca -0.46 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1lqs h LYS 128 Cb 1.22 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1lqs h LYS 128 CO 0.79 0.60 0.06 0.52 -0.57 0.00 0.00 179.45 180.84 1lqs h MET 129 N 0.93 0.00 -6.26 3.15 2.86 -1.90 -3.43 114.93 110.28 1lqs h MET 129 Ca 0.46 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.55 1lqs h MET 129 Cb 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1lqs h MET 129 CO -0.26 0.00 1.11 0.00 1.06 0.00 0.00 176.91 178.83 1lqs s ALA 130 N -4.39 3.54 0.26 6.32 0.00 -0.27 -4.95 121.76 122.27 1lqs s ALA 130 Ca -0.05 0.90 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 1lqs s ALA 130 Cb 0.14 -3.78 -0.12 0.00 0.00 0.00 0.00 23.12 19.36 1lqs s ALA 130 CO 0.47 -1.52 1.66 -0.35 0.00 0.00 0.00 175.76 176.02 1lqs n PRO 131 N 7.27 2.75 0.00 0.00 -0.04 -1.26 -4.87 135.00 138.85 1lqs n PRO 131 Ca 0.18 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.62 1lqs n PRO 131 Cb 0.43 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 1lqs n PRO 131 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lqs n ALA 132 N 2.98 0.00 1.71 0.55 0.00 -1.26 0.41 120.51 124.89 1lqs n ALA 132 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1lqs n ALA 132 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1lqs n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lqs n GLN 133 N -2.30 0.87 -3.13 0.00 10.64 -1.26 -4.27 117.38 117.93 1lqs n GLN 133 Ca 0.00 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.82 1lqs n GLN 133 Cb 0.00 -1.02 -0.03 0.00 -0.86 0.00 0.00 30.24 28.33 1lqs n GLN 133 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1lqs n ASP 134 N -0.47 5.28 -4.91 2.61 8.00 0.16 -4.86 116.55 122.37 1lqs n ASP 134 Ca 0.00 -3.48 -0.27 0.00 0.71 0.00 0.00 54.79 51.75 1lqs n ASP 134 Cb 0.01 -0.96 -0.01 0.00 -0.02 0.00 0.00 41.12 40.15 1lqs n ASP 134 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1lqs s THR 135 N -2.96 4.92 0.22 -3.53 -4.23 -1.26 -4.69 115.64 104.11 1lqs s THR 135 Ca 0.37 0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 1lqs s THR 135 Cb 0.12 -3.84 0.19 0.00 1.34 0.00 0.00 72.50 70.31 1lqs s THR 135 CO 0.02 -0.75 1.68 0.22 -0.54 0.00 0.00 174.62 175.25 1lqs h TYR 136 N 0.50 0.10 -0.54 3.99 3.20 -1.97 0.13 116.97 122.38 1lqs h TYR 136 Ca -0.47 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.47 1lqs h TYR 136 Cb 1.20 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.49 1lqs h TYR 136 CO 0.58 -0.11 0.31 0.93 -1.64 0.00 0.00 178.16 178.24 1lqs h GLU 137 N 0.19 0.60 -0.23 1.82 3.07 -1.93 0.50 114.58 118.60 1lqs h GLU 137 Ca 0.34 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1lqs h GLU 137 Cb 0.54 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1lqs h GLU 137 CO -0.48 0.39 0.11 1.03 -1.40 0.00 0.00 179.01 178.67 1lqs h SER 138 N 0.61 0.17 -0.06 1.42 0.87 -1.19 -2.50 113.55 112.87 1lqs h SER 138 Ca 0.23 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 1lqs h SER 138 Cb 0.06 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1lqs h SER 138 CO -0.12 0.13 -0.22 0.40 -0.53 0.00 0.00 176.83 176.49 1lqs h ILE 139 N 0.24 1.44 -2.73 2.23 1.08 -0.57 -3.33 117.51 115.88 1lqs h ILE 139 Ca 0.09 -1.64 -0.74 0.00 -0.39 0.00 0.00 64.86 62.18 1lqs h ILE 139 Cb 0.02 2.35 -0.32 0.00 -3.07 0.00 0.00 36.82 35.80 1lqs h ILE 139 CO -0.06 0.46 0.33 0.49 -0.69 0.00 0.00 178.15 178.68 1lqs n PHE 140 N -4.53 2.81 0.30 1.37 3.01 0.17 -4.87 117.46 115.72 1lqs n PHE 140 Ca -0.08 -3.14 0.16 0.00 1.01 0.00 0.00 57.45 55.40 1lqs n PHE 140 Cb 0.44 -1.05 0.91 0.00 -0.01 0.00 0.00 39.48 39.78 1lqs n PHE 140 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1lqs h SER 141 N 5.10 0.00 -5.12 4.37 4.64 -1.57 -3.43 113.55 117.54 1lqs h SER 141 Ca 0.20 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.38 1lqs h SER 141 Cb 0.64 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.55 1lqs h SER 141 CO 1.16 0.04 -0.68 -1.00 -0.87 0.00 0.00 176.83 175.49 1lqs s HIS 142 N -4.28 0.39 -1.32 4.77 3.76 -1.26 -4.89 115.29 112.45 1lqs s HIS 142 Ca -0.04 -0.80 -0.02 0.00 -0.15 0.00 0.00 55.06 54.05 1lqs s HIS 142 Cb 0.13 -0.29 0.00 0.00 1.11 0.00 0.00 32.58 33.54 1lqs s HIS 142 CO 0.52 -0.30 0.25 1.19 -0.85 0.00 0.00 174.74 175.56 1lqs n PHE 143 N 0.79 -1.19 -2.45 1.40 3.72 -1.26 -4.78 117.46 113.68 1lqs n PHE 143 Ca -0.19 0.22 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 1lqs n PHE 143 Cb 0.58 -3.58 -0.03 0.00 -0.94 0.00 0.00 39.48 35.51 1lqs n PHE 143 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1lqs s ARG 144 N -5.15 4.43 0.09 -1.08 0.52 -1.26 -1.43 118.95 115.06 1lqs s ARG 144 Ca 0.13 1.73 0.03 0.00 -0.52 0.00 0.00 55.73 57.10 1lqs s ARG 144 Cb -0.06 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 1lqs s ARG 144 CO 0.16 -0.28 -0.09 -1.21 0.02 0.00 0.00 175.30 173.89 1lqs s GLU 145 N 1.28 0.79 -0.03 3.54 2.02 0.14 -4.37 118.70 122.07 1lqs s GLU 145 Ca 0.58 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 54.48 1lqs s GLU 145 Cb -0.28 -0.46 0.02 0.00 0.10 0.00 0.00 34.13 33.50 1lqs s GLU 145 CO 0.28 0.07 -0.05 0.71 0.02 0.00 0.00 175.26 176.29 1lqs s TYR 146 N -2.36 0.67 -0.16 1.61 1.51 -0.11 -0.47 117.35 118.04 1lqs s TYR 146 Ca 0.03 -0.16 -0.20 0.00 -1.01 0.00 0.00 57.07 55.73 1lqs s TYR 146 Cb -0.03 -0.56 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 1lqs s TYR 146 CO -0.00 -0.14 0.60 -1.21 -1.11 0.00 0.00 175.55 173.69 1lqs s GLU 147 N 0.63 4.27 -0.22 -0.62 0.41 0.15 -1.45 118.70 121.88 1lqs s GLU 147 Ca -0.08 0.61 -0.06 0.00 -0.41 0.00 0.00 54.97 55.03 1lqs s GLU 147 Cb -0.11 -3.53 -0.02 0.00 -1.78 0.00 0.00 34.13 28.68 1lqs s GLU 147 CO 0.00 -0.11 0.02 0.42 -0.49 0.00 0.00 175.26 175.10 1lqs s ILE 148 N 1.47 3.94 -0.29 -1.63 1.01 0.14 -0.72 121.20 125.12 1lqs s ILE 148 Ca 0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 1lqs s ILE 148 Cb -0.16 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.52 1lqs s ILE 148 CO 0.11 0.39 0.07 0.00 0.00 0.00 0.00 174.94 175.51 1lqs s ALA 149 N 1.35 3.02 -0.01 9.38 0.00 -0.52 -1.94 121.76 133.04 1lqs s ALA 149 Ca 0.04 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1lqs s ALA 149 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1lqs s ALA 149 CO 0.01 -0.96 0.04 0.42 0.00 0.00 0.00 175.76 175.26 1lqs s ILE 150 N 1.47 4.44 -0.06 0.00 1.09 -0.83 -1.05 121.20 126.26 1lqs s ILE 150 Ca 0.02 -0.47 -0.06 0.00 -1.10 0.00 0.00 60.65 59.03 1lqs s ILE 150 Cb -0.17 -2.99 0.02 0.00 -1.06 0.00 0.00 42.46 38.25 1lqs s ILE 150 CO 0.02 0.39 0.17 0.00 -0.10 0.00 0.00 174.94 175.42 1lqs s ARG 151 N -1.56 0.25 -0.18 2.79 1.70 -0.15 -2.40 118.95 119.38 1lqs s ARG 151 Ca 0.20 0.16 -0.17 0.00 -0.47 0.00 0.00 55.73 55.45 1lqs s ARG 151 Cb -0.12 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.34 1lqs s ARG 151 CO 0.11 -0.04 0.45 0.21 -1.08 0.00 0.00 175.30 174.95 1lqs s LYS 152 N -0.11 4.21 0.11 3.89 2.20 -1.26 -1.03 119.74 127.75 1lqs s LYS 152 Ca -0.02 0.31 -0.33 0.00 -0.36 0.00 0.00 55.97 55.56 1lqs s LYS 152 Cb -0.02 -3.52 -0.13 0.00 -1.51 0.00 0.00 37.83 32.65 1lqs s LYS 152 CO 0.00 -0.03 1.57 0.28 -0.36 0.00 0.00 175.35 176.81 1lqs h VAL 153 N 4.99 0.05 0.00 4.02 2.07 -1.47 0.30 116.25 126.21 1lqs h VAL 153 Ca -0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1lqs h VAL 153 Cb 1.16 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1lqs h VAL 153 CO 0.73 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 177.51 1lqs n PRO 154 N -5.48 0.44 0.00 1.57 -0.04 -1.26 -3.96 135.00 126.27 1lqs n PRO 154 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1lqs n PRO 154 Cb 0.40 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1lqs n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lqs n GLY 155 N 0.15 -0.14 0.00 0.55 0.00 0.10 -5.16 105.19 100.69 1lqs n GLY 155 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1lqs n GLY 155 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1lqs n GLN 156 N 0.00 0.00 -1.26 1.61 -0.06 -1.11 -5.01 117.38 111.56 1lqs n GLN 156 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.69 1lqs n GLN 156 Cb 0.00 0.00 0.09 0.00 -4.06 0.00 0.00 30.24 26.27 1lqs n GLN 156 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1lqs n PHE 157 N 0.00 3.02 -4.48 3.69 3.72 -1.26 -4.70 117.46 117.45 1lqs n PHE 157 Ca 0.00 -2.69 -0.32 0.00 -0.05 0.00 0.00 57.45 54.39 1lqs n PHE 157 Cb 0.00 -1.30 -0.11 0.00 -0.94 0.00 0.00 39.48 37.13 1lqs n PHE 157 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1lqs s THR 158 N -4.25 3.58 0.11 4.37 -4.23 -1.26 -5.13 115.64 108.82 1lqs s THR 158 Ca 0.60 -0.80 0.08 0.00 -1.18 0.00 0.00 61.69 60.39 1lqs s THR 158 Cb 0.47 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1lqs s THR 158 CO 0.01 0.40 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.93 1lqs s PHE 159 N -0.98 1.75 -0.07 3.99 0.40 -1.26 -4.65 117.98 117.16 1lqs s PHE 159 Ca 0.17 -0.43 0.04 0.00 -0.60 0.00 0.00 56.93 56.10 1lqs s PHE 159 Cb -0.11 -0.94 -0.01 0.00 0.51 0.00 0.00 43.02 42.46 1lqs s PHE 159 CO 0.07 0.22 -0.20 0.95 0.70 0.00 0.00 175.22 176.96 1lqs s THR 160 N -1.36 2.54 0.49 0.64 -4.23 -1.01 -4.95 115.64 107.77 1lqs s THR 160 Ca 0.08 -0.89 -0.03 0.00 -1.18 0.00 0.00 61.69 59.67 1lqs s THR 160 Cb -0.09 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.76 1lqs s THR 160 CO 0.05 0.56 0.76 -1.00 -0.54 0.00 0.00 174.62 174.45 1lqs s HIS 161 N -0.16 3.33 -0.30 3.99 3.76 -1.26 -1.97 115.29 122.67 1lqs s HIS 161 Ca -0.02 0.49 -0.13 0.00 -0.15 0.00 0.00 55.06 55.25 1lqs s HIS 161 Cb -0.14 -2.41 0.17 0.00 1.11 0.00 0.00 32.58 31.32 1lqs s HIS 161 CO 0.04 -0.44 0.99 0.21 -0.85 0.00 0.00 174.74 174.68 1lqs s LYS 162 N -4.71 0.26 -0.06 1.40 2.47 -0.82 -4.98 119.74 113.30 1lqs s LYS 162 Ca 0.49 0.54 -0.13 0.00 -1.56 0.00 0.00 55.97 55.31 1lqs s LYS 162 Cb -0.10 0.31 -0.05 0.00 -1.46 0.00 0.00 37.83 36.53 1lqs s LYS 162 CO 0.41 -0.21 0.32 0.21 0.16 0.00 0.00 175.35 176.25 1lqs s LYS 163 N 2.73 3.86 0.11 4.03 2.20 -1.26 -0.68 119.74 130.72 1lqs s LYS 163 Ca 0.01 0.21 0.04 0.00 -0.36 0.00 0.00 55.97 55.87 1lqs s LYS 163 Cb -0.09 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1lqs s LYS 163 CO -0.15 0.62 -0.11 0.14 -0.36 0.00 0.00 175.35 175.50 1lqs s VAL 164 N -0.75 1.06 -0.31 4.02 -7.23 -0.52 -4.99 120.40 111.68 1lqs s VAL 164 Ca 0.20 -1.72 0.14 0.00 -1.81 0.00 0.00 61.98 58.80 1lqs s VAL 164 Cb -0.15 -1.47 0.39 0.00 0.56 0.00 0.00 36.38 35.71 1lqs s VAL 164 CO 0.09 -0.55 1.29 0.29 -0.31 0.00 0.00 175.10 175.91 1lqs n LYS 165 N 0.44 2.59 -4.25 4.82 5.02 -1.26 -0.94 118.16 124.59 1lqs n LYS 165 Ca -0.15 -2.50 -0.14 0.00 -2.02 0.00 0.00 58.31 53.50 1lqs n LYS 165 Cb 0.58 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.91 1lqs n LYS 165 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1lqs s HIS 166 N -2.29 1.23 -1.65 2.13 3.76 -1.26 -4.74 115.29 112.47 1lqs s HIS 166 Ca 0.32 -0.92 0.29 0.00 -0.15 0.00 0.00 55.06 54.61 1lqs s HIS 166 Cb 0.25 -0.69 1.59 0.00 1.11 0.00 0.00 32.58 34.84 1lqs s HIS 166 CO 0.08 -0.10 2.05 0.39 -0.85 0.00 0.00 174.74 176.31 1lqs n GLU 167 N -0.23 0.62 -4.71 1.40 4.71 -1.26 -4.70 120.64 116.47 1lqs n GLU 167 Ca -0.08 0.01 -0.29 0.00 -0.01 0.00 0.00 57.16 56.78 1lqs n GLU 167 Cb 0.62 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.41 1lqs n GLU 167 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1lqs s GLN 168 N -2.35 1.63 0.13 3.49 -0.21 -1.26 0.71 119.66 121.80 1lqs s GLN 168 Ca 0.34 -1.18 -0.17 0.00 0.02 0.00 0.00 55.36 54.37 1lqs s GLN 168 Cb 0.20 -1.91 0.04 0.00 1.00 0.00 0.00 33.01 32.34 1lqs s GLN 168 CO 0.40 0.48 0.43 -0.59 -2.12 0.00 0.00 175.29 173.89 1lqs s PHE 169 N -0.89 -0.25 0.04 0.91 -0.71 -0.18 -4.92 117.98 111.97 1lqs s PHE 169 Ca 0.12 -0.03 0.04 0.00 -1.04 0.00 0.00 56.93 56.02 1lqs s PHE 169 Cb -0.10 0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 41.99 1lqs s PHE 169 CO 0.03 -0.72 -0.12 -1.54 -1.34 0.00 0.00 175.22 171.53 1lqs s SER 170 N -2.75 1.45 -0.04 1.98 1.04 -1.26 0.01 113.70 114.12 1lqs s SER 170 Ca 0.02 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1lqs s SER 170 Cb 0.01 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.09 1lqs s SER 170 CO -0.12 -0.03 -0.02 -0.76 0.98 0.00 0.00 173.24 173.29 1lqs s LEU 171 N -1.27 1.18 -0.01 2.42 1.43 -0.59 -4.97 118.68 116.87 1lqs s LEU 171 Ca -0.01 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 52.79 1lqs s LEU 171 Cb -0.08 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.72 1lqs s LEU 171 CO 0.01 -0.09 0.61 -1.48 0.23 0.00 0.00 176.35 175.63 1lqs s LEU 172 N 1.07 4.41 -1.06 1.79 2.34 -1.26 -0.67 118.68 125.31 1lqs s LEU 172 Ca -0.09 1.18 -0.04 0.00 0.06 0.00 0.00 54.13 55.24 1lqs s LEU 172 Cb -0.14 -2.95 0.19 0.00 -0.56 0.00 0.00 46.19 42.74 1lqs s LEU 172 CO -0.01 0.09 2.25 0.41 -1.06 0.00 0.00 176.35 178.02 1lqs n THR 173 N 2.79 5.08 -1.44 5.48 -1.04 0.05 -4.96 114.28 120.24 1lqs n THR 173 Ca -0.06 -4.63 -0.14 0.00 -2.04 0.00 0.00 64.05 57.18 1lqs n THR 173 Cb 0.51 -1.77 -0.12 0.00 -1.82 0.00 0.00 70.33 67.13 1lqs n THR 173 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1lqs n SER 174 N 0.85 -0.14 -4.08 8.00 3.41 -1.26 -2.83 113.62 117.56 1lqs n SER 174 Ca 0.55 -1.30 -0.33 0.00 -0.26 0.00 0.00 58.87 57.53 1lqs n SER 174 Cb 0.29 -1.08 -0.01 0.00 -0.26 0.00 0.00 64.21 63.16 1lqs n SER 174 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqs n GLY 175 N 5.81 -0.42 3.84 5.00 0.00 -1.26 -4.97 105.19 113.18 1lqs n GLY 175 Ca 0.45 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.38 1lqs n GLY 175 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lqs s GLU 176 N -6.76 3.00 0.23 1.61 2.02 -1.13 -5.13 118.70 112.55 1lqs s GLU 176 Ca 0.58 -0.90 0.09 0.00 0.02 0.00 0.00 54.97 54.76 1lqs s GLU 176 Cb -0.31 -2.67 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 1lqs s GLU 176 CO 0.89 0.45 -0.16 0.14 0.02 0.00 0.00 175.26 176.61 1lqs s VAL 177 N -1.90 1.97 0.00 2.63 -7.23 -1.26 -4.90 120.40 109.70 1lqs s VAL 177 Ca 0.32 -2.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1lqs s VAL 177 Cb -0.09 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.71 1lqs s VAL 177 CO 0.25 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 1lqs n GLY 178 N -0.46 0.33 3.23 2.32 0.00 -1.26 -5.02 105.19 104.33 1lqs n GLY 178 Ca -0.07 -2.24 -0.31 0.00 0.00 0.00 0.00 46.02 43.41 1lqs n GLY 178 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lqs s GLU 179 N 0.00 2.53 -0.13 1.61 2.12 -1.26 -1.63 118.70 121.93 1lqs s GLU 179 Ca 0.00 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 1lqs s GLU 179 Cb 0.00 -2.08 -0.02 0.00 0.26 0.00 0.00 34.13 32.30 1lqs s GLU 179 CO 0.00 0.30 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.84 1lqs s PHE 180 N 0.03 2.85 -0.05 5.30 0.40 -0.59 -1.14 117.98 124.77 1lqs s PHE 180 Ca -0.08 -0.58 0.06 0.00 -0.60 0.00 0.00 56.93 55.74 1lqs s PHE 180 Cb -0.15 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 1lqs s PHE 180 CO 0.05 -0.17 -0.24 0.00 0.70 0.00 0.00 175.22 175.55 1lqs s VAL 182 N -0.32 0.89 0.13 0.00 -7.23 0.28 -0.98 120.40 113.17 1lqs s VAL 182 Ca 0.01 -1.12 0.10 0.00 -1.81 0.00 0.00 61.98 59.16 1lqs s VAL 182 Cb -0.12 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1lqs s VAL 182 CO 0.02 -0.22 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.25 1lqs s GLN 183 N -1.49 1.32 -0.06 4.82 -0.21 -0.22 -1.04 119.66 122.78 1lqs s GLN 183 Ca -0.04 -1.32 0.03 0.00 0.02 0.00 0.00 55.36 54.06 1lqs s GLN 183 Cb -0.09 -1.69 0.00 0.00 1.00 0.00 0.00 33.01 32.24 1lqs s GLN 183 CO 0.01 0.39 -0.15 0.08 -2.12 0.00 0.00 175.29 173.50 1lqs s VAL 184 N -1.25 1.32 -0.22 1.09 1.01 -1.26 -1.43 120.40 119.66 1lqs s VAL 184 Ca 0.13 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1lqs s VAL 184 Cb -0.09 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.17 1lqs s VAL 184 CO 0.06 0.39 -0.14 -0.75 0.00 0.00 0.00 175.10 174.66 1lqs s LYS 185 N 0.33 2.44 0.46 2.72 2.20 0.11 -1.82 119.74 126.18 1lqs s LYS 185 Ca -0.10 -1.05 -0.17 0.00 -0.36 0.00 0.00 55.97 54.29 1lqs s LYS 185 Cb -0.14 -2.67 -0.09 0.00 -1.51 0.00 0.00 37.83 33.43 1lqs s LYS 185 CO 0.03 -0.41 0.93 -1.25 -0.36 0.00 0.00 175.35 174.29 1lqs s PRO 186 N 1.24 4.03 0.14 4.03 0.04 -1.26 0.35 135.00 143.57 1lqs s PRO 186 Ca -0.02 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 61.70 1lqs s PRO 186 Cb -0.17 -2.21 0.06 0.00 0.04 0.00 0.00 34.50 32.23 1lqs s PRO 186 CO -0.08 -0.12 0.89 -1.54 0.04 0.00 0.00 177.00 176.18 1lqs s SER 187 N -2.70 -0.25 -0.29 6.66 1.04 0.39 -4.16 113.70 114.39 1lqs s SER 187 Ca 0.59 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.69 1lqs s SER 187 Cb -0.10 0.51 0.09 0.00 0.10 0.00 0.00 66.02 66.62 1lqs s SER 187 CO 0.24 -0.92 0.04 -0.69 0.98 0.00 0.00 173.24 172.88 1lqs s VAL 188 N -3.37 1.47 0.25 5.02 1.01 -1.26 0.28 120.40 123.80 1lqs s VAL 188 Ca 0.10 -1.60 0.19 0.00 0.00 0.00 0.00 61.98 60.67 1lqs s VAL 188 Cb -0.02 -1.98 0.29 0.00 0.00 0.00 0.00 36.38 34.67 1lqs s VAL 188 CO -0.00 -0.47 0.90 0.00 0.00 0.00 0.00 175.10 175.53 1lqs n ALA 189 N 4.63 0.79 1.07 5.51 0.00 -0.52 0.19 120.51 132.18 1lqs n ALA 189 Ca -0.03 0.50 0.12 0.00 0.00 0.00 0.00 53.44 54.02 1lqs n ALA 189 Cb 0.43 -0.61 0.12 0.00 0.00 0.00 0.00 19.45 19.39 1lqs n ALA 189 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1lqs n SER 190 N -3.81 1.32 -4.94 0.00 3.41 -1.26 -4.97 113.62 103.36 1lqs n SER 190 Ca 0.23 -1.05 -0.21 0.00 -0.26 0.00 0.00 58.87 57.58 1lqs n SER 190 Cb 0.90 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 1lqs n SER 190 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1lqs s ARG 191 N -2.66 2.46 0.00 4.33 0.52 0.50 -5.04 118.95 119.07 1lqs s ARG 191 Ca 0.17 -1.63 0.06 0.00 -0.52 0.00 0.00 55.73 53.81 1lqs s ARG 191 Cb 0.18 -2.43 0.06 0.00 0.52 0.00 0.00 34.95 33.27 1lqs s ARG 191 CO 0.63 -0.46 0.73 -1.13 0.02 0.00 0.00 175.30 175.09 1lqs n SER 192 N -1.81 1.58 -4.66 0.23 3.41 -1.26 -4.78 113.62 106.34 1lqs n SER 192 Ca 0.06 -1.31 -0.46 0.00 -0.26 0.00 0.00 58.87 56.89 1lqs n SER 192 Cb 0.62 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1lqs n SER 192 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1lqs n ASN 193 N 0.31 2.70 -4.87 4.04 4.13 -1.26 -4.95 115.26 115.36 1lqs n ASN 193 Ca 0.04 1.11 -0.31 0.00 1.68 0.00 0.00 54.58 57.10 1lqs n ASN 193 Cb 0.17 -1.39 -0.02 0.00 -1.54 0.00 0.00 39.78 37.00 1lqs n ASN 193 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1lqs s LYS 194 N 0.29 3.76 0.17 3.52 -2.85 -1.26 -4.75 119.74 118.62 1lqs s LYS 194 Ca 0.75 0.69 0.04 0.00 -1.00 0.00 0.00 55.97 56.45 1lqs s LYS 194 Cb -0.71 -2.21 -0.05 0.00 -2.06 0.00 0.00 37.83 32.80 1lqs s LYS 194 CO 0.44 -0.29 -0.08 0.20 0.10 0.00 0.00 175.35 175.73 1lqs s GLY 195 N -3.52 1.19 0.03 0.59 0.00 -1.26 -0.86 107.32 103.49 1lqs s GLY 195 Ca 0.55 -1.56 0.09 0.00 0.00 0.00 0.00 44.72 43.79 1lqs s GLY 195 CO 0.39 -1.61 -0.26 1.06 0.00 0.00 0.00 173.10 172.68 1lqs s MET 196 N -3.78 1.87 0.41 2.90 -1.94 -0.77 -4.91 119.30 113.09 1lqs s MET 196 Ca 0.20 -1.05 -0.27 0.00 -1.71 0.00 0.00 55.69 52.86 1lqs s MET 196 Cb 0.03 -1.97 -0.10 0.00 2.01 0.00 0.00 34.83 34.80 1lqs s MET 196 CO 0.03 0.52 1.45 -1.58 -0.01 0.00 0.00 175.02 175.43 1lqs s TRP 197 N -0.75 2.54 0.50 -0.03 0.52 -1.26 -4.54 118.94 115.92 1lqs s TRP 197 Ca 0.11 1.22 -0.03 0.00 0.02 0.00 0.00 56.10 57.42 1lqs s TRP 197 Cb -0.10 -3.96 -0.01 0.00 -1.15 0.00 0.00 33.47 28.25 1lqs s TRP 197 CO 0.01 -2.92 0.77 -1.54 0.02 0.00 0.00 176.95 173.29 1lqs s SER 198 N -0.34 5.86 0.36 2.95 1.04 -0.75 -4.97 113.70 117.85 1lqs s SER 198 Ca 0.57 0.59 -0.28 0.00 0.48 0.00 0.00 55.95 57.30 1lqs s SER 198 Cb -0.45 -1.78 -0.11 0.00 0.10 0.00 0.00 66.02 63.79 1lqs s SER 198 CO 0.59 -0.78 1.45 -1.59 0.98 0.00 0.00 173.24 173.89 1lqs s LYS 199 N -4.74 4.17 0.49 4.02 -2.85 -1.26 -4.47 119.74 115.10 1lqs s LYS 199 Ca 0.50 2.49 -0.24 0.00 -1.00 0.00 0.00 55.97 57.72 1lqs s LYS 199 Cb -0.10 -3.00 -0.07 0.00 -2.06 0.00 0.00 37.83 32.60 1lqs s LYS 199 CO 0.42 -0.46 1.38 -2.00 0.10 0.00 0.00 175.35 174.79 1lqs s GLU 200 N -1.86 3.47 -0.02 1.78 2.12 -1.26 -4.81 118.70 118.13 1lqs s GLU 200 Ca 0.53 2.30 0.04 0.00 0.36 0.00 0.00 54.97 58.21 1lqs s GLU 200 Cb -0.45 -2.48 -0.01 0.00 0.26 0.00 0.00 34.13 31.45 1lqs s GLU 200 CO 0.59 -0.95 -0.15 -2.00 -0.54 0.00 0.00 175.26 172.21 1lqs s GLU 201 N -2.64 1.36 0.33 4.30 2.56 -0.21 -4.92 118.70 119.48 1lqs s GLU 201 Ca 0.65 -0.55 0.07 0.00 0.00 0.00 0.00 54.97 55.14 1lqs s GLU 201 Cb -0.41 -1.27 -0.07 0.00 2.00 0.00 0.00 34.13 34.38 1lqs s GLU 201 CO 0.51 0.29 -0.03 0.00 -0.56 0.00 0.00 175.26 175.48 1lqs s ILE 203 N -2.91 0.01 -0.10 0.00 2.07 -0.13 -4.95 121.20 115.18 1lqs s ILE 203 Ca 0.33 -0.05 -0.06 0.00 -1.41 0.00 0.00 60.65 59.45 1lqs s ILE 203 Cb 0.06 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 1lqs s ILE 203 CO 0.15 -0.03 0.15 -0.44 -1.91 0.00 0.00 174.94 172.86 1lqs s SER 204 N -0.33 6.39 0.00 4.50 0.01 -1.26 -1.55 113.70 121.46 1lqs s SER 204 Ca -0.05 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1lqs s SER 204 Cb -0.03 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1lqs s SER 204 CO 0.04 0.39 0.03 0.18 0.41 0.00 0.00 173.24 174.29 1lqs n LEU 205 N 1.83 0.30 0.00 2.44 4.77 -0.65 -4.99 117.00 120.70 1lqs n LEU 205 Ca -0.19 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1lqs n LEU 205 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1lqs n LEU 205 CO 0.33 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.74 1lqs n THR 206 N -0.08 0.00 -1.59 -5.08 -2.24 -1.26 -5.05 114.28 98.97 1lqs n THR 206 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1lqs n THR 206 Cb 0.00 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 1lqs n THR 206 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04