#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqs s LYS 9 N 0.00 2.66 0.10 1.09 2.20 -1.26 -5.07 119.74 119.46 1lqs s LYS 9 Ca 0.00 -0.84 -0.22 0.00 -0.36 0.00 0.00 55.97 54.55 1lqs s LYS 9 Cb 0.00 -2.26 -0.12 0.00 -1.51 0.00 0.00 37.83 33.94 1lqs s LYS 9 CO 0.00 0.39 1.74 -1.00 -0.36 0.00 0.00 175.35 176.12 1lqs h PRO 10 N 6.04 0.10 -0.13 4.03 0.13 -2.00 -2.21 132.00 137.96 1lqs h PRO 10 Ca -0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1lqs h PRO 10 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1lqs h PRO 10 CO 0.49 0.08 0.00 1.04 -0.23 0.00 0.00 178.00 179.38 1lqs n GLN 11 N -5.03 0.34 -0.00 0.86 3.00 -1.26 -0.71 117.38 114.57 1lqs n GLN 11 Ca -0.06 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.97 1lqs n GLN 11 Cb 0.04 -1.07 -0.05 0.00 0.00 0.00 0.00 30.24 29.16 1lqs n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1lqs s ARG 13 N -2.28 4.25 0.56 0.00 0.52 0.11 -4.94 118.95 117.18 1lqs s ARG 13 Ca -0.01 0.85 0.28 0.00 -0.52 0.00 0.00 55.73 56.33 1lqs s ARG 13 Cb 0.05 -3.58 1.67 0.00 0.52 0.00 0.00 34.95 33.61 1lqs s ARG 13 CO 0.31 -0.31 2.19 -1.00 0.02 0.00 0.00 175.30 176.51 1lqs h PRO 16 N 7.42 0.00 -0.64 3.54 0.13 -1.93 0.26 132.00 140.78 1lqs h PRO 16 Ca -0.30 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.02 1lqs h PRO 16 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1lqs h PRO 16 CO 0.81 0.04 0.56 0.93 -0.23 0.00 0.00 178.00 180.12 1lqs h GLU 17 N 0.00 0.00 0.00 0.86 3.07 -1.92 0.37 114.58 116.96 1lqs h GLU 17 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1lqs h GLU 17 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1lqs h GLU 17 CO 0.01 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.15 1lqs n ASP 18 N -3.92 0.00 -0.40 1.42 -0.08 0.08 -3.23 116.55 110.41 1lqs n ASP 18 Ca 0.13 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.46 1lqs n ASP 18 Cb 0.80 -0.33 0.05 0.00 2.34 0.00 0.00 41.12 43.98 1lqs n ASP 18 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1lqs n TYR 19 N -1.33 0.02 -0.15 -0.67 4.02 0.13 -4.74 117.16 114.44 1lqs n TYR 19 Ca 0.12 -0.02 -0.07 0.00 -0.01 0.00 0.00 57.90 57.91 1lqs n TYR 19 Cb 0.24 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.57 1lqs n TYR 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1lqs h ALA 20 N 1.94 0.59 -0.44 -0.72 0.00 -1.52 -0.98 119.26 118.13 1lqs h ALA 20 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1lqs h ALA 20 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1lqs h ALA 20 CO 0.00 0.05 -0.28 1.15 0.00 0.00 0.00 179.25 180.17 1lqs h THR 21 N 0.63 1.27 -0.14 0.00 2.02 -1.85 -0.37 112.91 114.47 1lqs h THR 21 Ca 0.17 -1.45 -0.14 0.00 0.77 0.00 0.00 66.41 65.76 1lqs h THR 21 Cb -0.06 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1lqs h THR 21 CO -0.04 0.49 -0.52 0.03 0.37 0.00 0.00 175.52 175.85 1lqs h ARG 22 N 0.81 0.40 -0.81 6.66 -0.00 -1.88 0.21 114.38 119.78 1lqs h ARG 22 Ca 0.09 -0.24 -0.02 0.00 -0.50 0.00 0.00 59.98 59.31 1lqs h ARG 22 Cb 0.86 0.02 -0.04 0.00 0.00 0.00 0.00 29.97 30.82 1lqs h ARG 22 CO 0.08 0.83 0.42 -0.07 0.00 0.00 0.00 179.97 181.23 1lqs h LEU 23 N 0.31 1.02 -0.25 3.04 3.38 -0.90 -1.57 115.31 120.35 1lqs h LEU 23 Ca 0.01 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 1lqs h LEU 23 Cb 1.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1lqs h LEU 23 CO 0.09 0.83 -0.48 -0.61 0.09 0.00 0.00 178.44 178.36 1lqs h GLN 24 N 1.13 0.77 0.00 1.13 4.15 -0.27 -2.41 115.11 119.61 1lqs h GLN 24 Ca 0.28 -0.49 0.02 0.00 0.77 0.00 0.00 58.65 59.23 1lqs h GLN 24 Cb 0.06 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1lqs h GLN 24 CO -0.04 1.12 -0.12 -0.44 -1.93 0.00 0.00 178.83 177.41 1lqs h ASP 25 N 0.51 -0.35 -0.45 -0.69 3.32 -0.38 0.23 116.42 118.60 1lqs h ASP 25 Ca 0.01 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.20 1lqs h ASP 25 Cb 1.09 0.15 -0.08 0.00 0.22 0.00 0.00 39.33 40.71 1lqs h ASP 25 CO 0.11 -0.18 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.36 1lqs h LEU 26 N -0.21 -0.23 -1.52 1.55 3.38 -1.28 0.15 115.31 117.15 1lqs h LEU 26 Ca 0.04 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1lqs h LEU 26 Cb 0.26 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1lqs h LEU 26 CO -0.12 -0.07 -0.25 0.03 0.09 0.00 0.00 178.44 178.12 1lqs h ARG 27 N 0.09 0.00 0.16 1.13 3.08 -0.99 0.11 114.38 117.96 1lqs h ARG 27 Ca 0.22 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.00 1lqs h ARG 27 Cb 0.33 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.41 1lqs h ARG 27 CO -0.39 0.25 -1.17 -0.39 -1.07 0.00 0.00 179.97 177.20 1lqs h VAL 28 N 0.00 1.35 -0.68 2.04 -1.51 0.15 -2.33 116.25 115.26 1lqs h VAL 28 Ca -0.00 -2.51 -0.07 0.00 -1.23 0.00 0.00 66.70 62.88 1lqs h VAL 28 Cb 0.46 2.91 -0.03 0.00 -2.13 0.00 0.00 31.29 32.50 1lqs h VAL 28 CO 0.03 0.75 0.15 0.74 -1.23 0.00 0.00 177.57 178.01 1lqs h THR 29 N 0.06 1.26 -0.68 7.19 2.02 -0.68 -2.78 112.91 119.29 1lqs h THR 29 Ca -0.19 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 1lqs h THR 29 Cb 1.88 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 1lqs h THR 29 CO 0.22 0.37 0.29 0.15 0.37 0.00 0.00 175.52 176.93 1lqs h PHE 30 N 1.03 1.00 -0.51 3.16 3.57 -0.81 -2.72 116.94 121.67 1lqs h PHE 30 Ca 0.21 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1lqs h PHE 30 Cb 0.39 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1lqs h PHE 30 CO 0.03 0.75 0.29 1.25 -2.23 0.00 0.00 178.31 178.40 1lqs h HIS 31 N 0.98 0.67 -0.24 0.41 2.76 -1.13 -0.49 115.15 118.11 1lqs h HIS 31 Ca 0.23 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.32 1lqs h HIS 31 Cb 0.16 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1lqs h HIS 31 CO 0.01 0.46 -0.20 0.00 -1.30 0.00 0.00 177.93 176.90 1lqs h ARG 32 N 0.70 0.43 -0.22 5.26 3.08 -1.45 -3.11 114.38 119.07 1lqs h ARG 32 Ca 0.18 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1lqs h ARG 32 Cb -0.00 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1lqs h ARG 32 CO -0.03 0.62 0.00 1.55 -1.07 0.00 0.00 179.97 181.03 1lqs n VAL 33 N -4.17 0.45 -0.13 2.04 3.14 -1.08 -4.68 118.33 113.91 1lqs n VAL 33 Ca -0.00 -0.72 -0.04 0.00 -2.96 0.00 0.00 64.34 60.62 1lqs n VAL 33 Cb 0.36 0.95 0.04 0.00 -1.06 0.00 0.00 33.84 34.13 1lqs n VAL 33 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1lqs h LYS 34 N 2.83 0.13 0.00 1.45 3.64 -1.02 -1.89 116.57 121.72 1lqs h LYS 34 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1lqs h LYS 34 Cb 0.71 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1lqs h LYS 34 CO 0.00 0.08 -0.05 -1.00 -2.27 0.00 0.00 179.45 176.21 1lqs h PRO 35 N 0.13 0.00 0.37 1.90 0.13 -1.83 -0.68 132.00 132.02 1lqs h PRO 35 Ca 0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.32 1lqs h PRO 35 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 1lqs h PRO 35 CO -0.34 0.05 -0.18 1.15 -0.23 0.00 0.00 178.00 178.46 1lqs h THR 36 N 0.00 0.11 -0.12 1.56 2.02 -1.70 -3.20 112.91 111.58 1lqs h THR 36 Ca -0.00 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.54 1lqs h THR 36 Cb 0.09 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1lqs h THR 36 CO 0.01 0.03 0.14 -0.07 0.37 0.00 0.00 175.52 176.00 1lqs h LEU 37 N -1.10 0.00 -3.64 2.58 3.38 -1.33 -2.15 115.31 113.03 1lqs h LEU 37 Ca -0.05 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.68 1lqs h LEU 37 Cb 0.42 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.03 1lqs h LEU 37 CO 0.08 0.00 0.24 0.00 0.09 0.00 0.00 178.44 178.85 1lqs n GLN 38 N -3.77 2.94 0.01 1.13 6.02 -0.27 -4.69 117.38 118.75 1lqs n GLN 38 Ca 0.00 -3.06 -0.01 0.00 -0.01 0.00 0.00 57.00 53.92 1lqs n GLN 38 Cb 0.25 -2.08 -0.00 0.00 1.02 0.00 0.00 30.24 29.43 1lqs n GLN 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lqs h ARG 40 N 1.88 -0.03 -0.02 -1.09 3.08 -1.38 -3.38 114.38 113.44 1lqs h ARG 40 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1lqs h ARG 40 Cb 2.18 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 32.23 1lqs h ARG 40 CO 0.67 -0.02 -0.06 1.49 -1.07 0.00 0.00 179.97 180.98 1lqs h GLU 41 N -0.17 -0.06 -3.85 0.04 4.81 -1.84 -3.46 114.58 110.06 1lqs h GLU 41 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1lqs h GLU 41 Cb 0.03 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1lqs h GLU 41 CO 0.01 -0.04 -0.11 -0.25 -0.73 0.00 0.00 179.01 177.89 1lqs n ASP 42 N -2.89 -4.55 -4.84 1.04 10.43 -1.26 -4.91 116.55 109.58 1lqs n ASP 42 Ca -0.01 0.52 -0.30 0.00 2.57 0.00 0.00 54.79 57.57 1lqs n ASP 42 Cb 0.04 -0.94 0.06 0.00 1.84 0.00 0.00 41.12 42.12 1lqs n ASP 42 CO 0.00 0.00 0.00 1.51 -1.07 0.00 0.00 177.20 177.64 1lqs s ASP 43 N -0.11 5.16 -0.44 -2.24 1.47 -1.26 -4.90 116.67 114.35 1lqs s ASP 43 Ca 0.00 1.30 -0.01 0.00 1.18 0.00 0.00 52.55 55.02 1lqs s ASP 43 Cb 0.00 -2.11 0.31 0.00 -0.34 0.00 0.00 42.92 40.78 1lqs s ASP 43 CO 0.00 -1.54 2.01 -1.22 0.68 0.00 0.00 175.17 175.10 1lqs n TYR 44 N -3.16 2.17 -2.89 2.11 4.02 -1.26 -4.92 117.16 113.23 1lqs n TYR 44 Ca 0.07 -2.33 -0.24 0.00 -0.01 0.00 0.00 57.90 55.39 1lqs n TYR 44 Cb 0.56 -1.13 0.01 0.00 -0.02 0.00 0.00 39.34 38.77 1lqs n TYR 44 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1lqs s SER 45 N -0.57 5.80 -0.13 7.72 1.04 -1.26 -5.09 113.70 121.21 1lqs s SER 45 Ca 0.43 0.36 0.01 0.00 0.48 0.00 0.00 55.95 57.24 1lqs s SER 45 Cb 0.34 -1.57 -0.01 0.00 0.10 0.00 0.00 66.02 64.89 1lqs s SER 45 CO -0.00 -0.75 -0.18 -0.69 0.98 0.00 0.00 173.24 172.60 1lqs s VAL 46 N -2.62 2.58 -0.13 5.02 1.01 -1.26 -5.01 120.40 119.99 1lqs s VAL 46 Ca 0.49 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 1lqs s VAL 46 Cb -0.10 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1lqs s VAL 46 CO 0.39 0.53 -0.24 1.87 0.00 0.00 0.00 175.10 177.66 1lqs n TRP 47 N 3.71 0.11 -2.77 5.22 -0.00 -1.26 -4.72 117.44 117.73 1lqs n TRP 47 Ca -0.19 0.05 -0.43 0.00 -0.00 0.00 0.00 57.50 56.93 1lqs n TRP 47 Cb 0.52 -0.41 -0.01 0.00 -0.00 0.00 0.00 31.31 31.41 1lqs n TRP 47 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1lqs s LEU 48 N -7.14 4.44 0.00 5.87 1.43 -1.26 -5.01 118.68 117.01 1lqs s LEU 48 Ca -0.20 -2.28 0.00 0.00 -1.03 0.00 0.00 54.13 50.62 1lqs s LEU 48 Cb 0.03 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1lqs s LEU 48 CO 0.29 -1.09 0.00 -0.90 0.23 0.00 0.00 176.35 174.88 1lqs n ASP 49 N 7.22 -0.45 -0.23 2.29 5.68 -1.26 -4.94 116.55 124.86 1lqs n ASP 49 Ca 0.35 -0.29 0.04 0.00 -0.50 0.00 0.00 54.79 54.39 1lqs n ASP 49 Cb 0.47 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.63 1lqs n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lqs n GLY 50 N 2.83 -0.42 0.00 6.12 0.00 -1.26 -3.89 105.19 108.58 1lqs n GLY 50 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1lqs n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lqs n THR 51 N -0.18 0.00 -0.05 2.61 -2.24 -1.26 -4.81 114.28 108.35 1lqs n THR 51 Ca 0.07 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.90 1lqs n THR 51 Cb 0.13 0.18 0.08 0.00 -2.10 0.00 0.00 70.33 68.61 1lqs n THR 51 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1lqs n VAL 52 N -1.05 -0.06 -0.07 2.28 3.14 -1.25 0.36 118.33 121.67 1lqs n VAL 52 Ca 0.00 0.30 0.03 0.00 -2.96 0.00 0.00 64.34 61.72 1lqs n VAL 52 Cb 0.05 -0.48 0.08 0.00 -1.06 0.00 0.00 33.84 32.43 1lqs n VAL 52 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1lqs n VAL 56 N -3.47 0.93 -2.95 1.55 0.31 -1.26 -4.81 118.33 108.62 1lqs n VAL 56 Ca 0.05 -0.96 -0.20 0.00 -0.01 0.00 0.00 64.34 63.22 1lqs n VAL 56 Cb 0.17 0.55 0.06 0.00 -0.91 0.00 0.00 33.84 33.70 1lqs n VAL 56 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1lqs s LYS 57 N -0.96 2.35 0.00 5.55 1.02 1.13 -4.24 119.74 124.59 1lqs s LYS 57 Ca 0.13 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1lqs s LYS 57 Cb 0.07 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1lqs s LYS 57 CO 0.09 -0.80 0.00 0.41 -0.92 0.00 0.00 175.35 174.13 1lqs n GLY 58 N -2.24 -1.32 0.31 -3.33 0.00 -1.26 -3.68 105.19 93.67 1lqs n GLY 58 Ca 0.14 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.69 1lqs n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqs n TRP 60 N -5.34 1.63 -0.35 0.00 7.02 -1.26 -4.46 117.44 114.69 1lqs n TRP 60 Ca 0.21 -0.61 0.10 0.00 -1.02 0.00 0.00 57.50 56.17 1lqs n TRP 60 Cb 0.69 -0.33 0.27 0.00 -2.42 0.00 0.00 31.31 29.52 1lqs n TRP 60 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1lqs h GLY 61 N 4.22 1.66 -0.17 6.99 0.00 -1.42 0.26 103.07 114.60 1lqs h GLY 61 Ca 0.00 -0.37 0.23 0.00 0.00 0.00 0.00 47.33 47.19 1lqs h GLY 61 CO 0.32 0.03 0.45 0.00 0.00 0.00 0.00 176.54 177.33 1lqs h SER 63 N 0.45 0.88 0.35 0.00 0.87 -0.84 -2.62 113.55 112.66 1lqs h SER 63 Ca 0.58 -0.35 -0.16 0.00 -1.23 0.00 0.00 61.79 60.64 1lqs h SER 63 Cb 1.10 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1lqs h SER 63 CO -0.51 1.03 -0.65 0.58 -0.53 0.00 0.00 176.83 176.75 1lqs h VAL 64 N 0.73 1.39 -0.77 2.23 2.07 0.06 -2.37 116.25 119.59 1lqs h VAL 64 Ca 0.12 -2.06 -0.03 0.00 0.82 0.00 0.00 66.70 65.55 1lqs h VAL 64 Cb 0.62 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 1lqs h VAL 64 CO 0.04 0.61 0.37 -0.03 0.02 0.00 0.00 177.57 178.58 1lqs h MET 65 N 0.20 1.11 -0.07 1.57 -1.53 0.72 -0.18 114.93 116.76 1lqs h MET 65 Ca -0.01 -0.16 -0.03 0.00 -3.44 0.00 0.00 59.70 56.05 1lqs h MET 65 Cb 1.18 -0.20 -0.00 0.00 -0.55 0.00 0.00 31.60 32.02 1lqs h MET 65 CO 0.10 0.87 -0.07 0.22 0.14 0.00 0.00 176.91 178.16 1lqs h ASP 66 N 1.09 0.19 -0.15 1.39 3.58 -1.41 -2.13 116.42 118.98 1lqs h ASP 66 Ca 0.27 -0.48 0.05 0.00 0.42 0.00 0.00 57.03 57.28 1lqs h ASP 66 Cb 0.12 -0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.05 1lqs h ASP 66 CO -0.03 0.64 -0.35 -0.25 -2.88 0.00 0.00 179.24 176.37 1lqs h TRP 67 N -0.25 -0.97 0.08 0.28 7.01 -1.21 -0.64 115.95 120.26 1lqs h TRP 67 Ca 0.01 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.08 1lqs h TRP 67 Cb 0.58 0.45 -0.05 0.00 -2.10 0.00 0.00 29.16 28.05 1lqs h TRP 67 CO 0.09 -0.42 -0.35 -0.07 -2.79 0.00 0.00 178.44 174.90 1lqs h LEU 68 N -0.41 -1.04 -1.24 0.65 3.38 -1.03 0.41 115.31 116.03 1lqs h LEU 68 Ca 0.10 0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.31 1lqs h LEU 68 Cb 0.57 0.40 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 1lqs h LEU 68 CO -0.38 -0.43 0.57 -0.07 0.09 0.00 0.00 178.44 178.22 1lqs h LEU 69 N -0.56 0.74 -0.29 1.67 3.38 -1.08 -0.72 115.31 118.44 1lqs h LEU 69 Ca 0.04 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 1lqs h LEU 69 Cb 0.61 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1lqs h LEU 69 CO -0.23 0.41 -0.49 0.03 0.09 0.00 0.00 178.44 178.25 1lqs h ARG 70 N 0.80 0.85 -1.01 1.13 3.08 -0.60 -1.34 114.38 117.30 1lqs h ARG 70 Ca 0.43 -0.52 0.03 0.00 0.07 0.00 0.00 59.98 59.99 1lqs h ARG 70 Cb 0.54 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 1lqs h ARG 70 CO -0.19 1.16 0.66 -0.09 -1.07 0.00 0.00 179.97 180.44 1lqs h ARG 71 N 0.63 1.25 -0.00 0.04 9.65 0.30 0.20 114.38 126.44 1lqs h ARG 71 Ca 0.02 -0.08 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1lqs h ARG 71 Cb 1.09 -0.28 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1lqs h ARG 71 CO 0.11 0.83 -0.10 1.88 2.80 0.00 0.00 179.97 185.48 1lqs h TYR 72 N 1.29 0.11 -0.56 2.20 0.05 -1.11 0.12 116.97 119.06 1lqs h TYR 72 Ca 0.40 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 59.09 1lqs h TYR 72 Cb -0.02 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 1lqs h TYR 72 CO -0.00 0.84 0.23 -0.07 -1.05 0.00 0.00 178.16 178.11 1lqs h LEU 73 N -0.65 0.74 0.00 3.88 3.38 -1.07 -0.92 115.31 120.66 1lqs h LEU 73 Ca -0.01 -0.09 -0.31 0.00 0.09 0.00 0.00 57.88 57.55 1lqs h LEU 73 Cb 0.87 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 1lqs h LEU 73 CO 0.02 0.66 -2.02 -0.62 0.09 0.00 0.00 178.44 176.57 1lqs n GLU 74 N -4.33 0.66 0.05 1.13 -0.58 0.69 -4.56 120.64 113.70 1lqs n GLU 74 Ca 0.05 0.13 -0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1lqs n GLU 74 Cb 0.16 -1.66 -0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1lqs n GLU 74 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1lqs n ILE 75 N -2.87 1.23 0.19 -3.67 2.08 0.26 -4.69 119.36 111.89 1lqs n ILE 75 Ca -0.24 0.40 -0.15 0.00 0.56 0.00 0.00 62.75 63.32 1lqs n ILE 75 Cb 1.08 -1.59 -0.09 0.00 -0.75 0.00 0.00 39.64 38.28 1lqs n ILE 75 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1lqs h VAL 76 N -0.01 0.00 -0.12 1.39 2.07 -1.20 0.68 116.25 119.06 1lqs h VAL 76 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1lqs h VAL 76 Cb 0.01 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 1lqs h VAL 76 CO 0.00 0.00 -0.05 -0.26 0.02 0.00 0.00 177.57 177.28 1lqs h PHE 77 N -0.79 -0.11 -0.54 1.57 -1.00 -1.41 0.20 116.94 114.86 1lqs h PHE 77 Ca -0.03 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.81 1lqs h PHE 77 Cb 0.73 0.07 -0.05 0.00 3.61 0.00 0.00 35.95 40.31 1lqs h PHE 77 CO -0.33 -0.08 0.28 -1.35 -1.61 0.00 0.00 178.31 175.22 1lqs h PRO 78 N -0.03 0.52 0.00 1.51 0.11 -1.74 0.96 132.00 133.33 1lqs h PRO 78 Ca 0.06 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1lqs h PRO 78 Cb 0.13 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1lqs h PRO 78 CO -0.14 0.35 -0.12 0.00 -0.21 0.00 0.00 178.00 177.88 1lqs h ALA 79 N 1.29 1.51 -0.22 -0.75 0.00 -0.46 -2.49 119.26 118.14 1lqs h ALA 79 Ca 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1lqs h ALA 79 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1lqs h ALA 79 CO -0.16 0.15 0.03 0.78 0.00 0.00 0.00 179.25 180.04 1lqs h GLY 80 N 0.55 0.34 2.00 0.00 0.00 0.20 -2.67 103.07 103.48 1lqs h GLY 80 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1lqs h GLY 80 CO 0.02 0.16 -0.01 -0.55 0.00 0.00 0.00 176.54 176.16 1lqs h ASP 81 N 0.32 0.00 0.25 0.19 5.19 -1.27 -1.35 116.42 119.75 1lqs h ASP 81 Ca 0.08 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.14 1lqs h ASP 81 Cb 0.17 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 1lqs h ASP 81 CO 0.00 0.01 -1.75 0.45 -3.12 0.00 0.00 179.24 174.82 1lqs h HIS 82 N 0.00 0.59 0.00 4.55 3.86 -1.65 -3.24 115.15 119.26 1lqs h HIS 82 Ca -0.00 -0.43 -0.12 0.00 -1.16 0.00 0.00 60.37 58.66 1lqs h HIS 82 Cb 0.01 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1lqs h HIS 82 CO 0.00 1.61 -0.58 -0.24 0.86 0.00 0.00 177.93 179.58 1lqs h VAL 83 N 0.09 1.11 -2.09 2.45 3.04 -1.49 -3.37 116.25 115.99 1lqs h VAL 83 Ca -0.34 -2.23 -0.58 0.00 -1.01 0.00 0.00 66.70 62.54 1lqs h VAL 83 Cb 2.07 2.32 -0.40 0.00 -2.01 0.00 0.00 31.29 33.27 1lqs h VAL 83 CO 0.15 0.57 -0.88 -1.22 -1.01 0.00 0.00 177.57 175.18 1lqs n TYR 84 N -3.41 1.43 0.13 3.17 4.02 -0.52 -4.95 117.16 117.03 1lqs n TYR 84 Ca 0.01 -3.83 0.19 0.00 -0.01 0.00 0.00 57.90 54.26 1lqs n TYR 84 Cb 0.69 -0.44 0.78 0.00 -0.02 0.00 0.00 39.34 40.34 1lqs n TYR 84 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1lqs h PRO 85 N 4.06 0.00 -0.19 -0.72 0.13 -1.73 -2.12 132.00 131.44 1lqs h PRO 85 Ca 0.13 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.06 1lqs h PRO 85 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1lqs h PRO 85 CO 0.63 0.00 -0.67 0.78 -0.23 0.00 0.00 178.00 178.51 1lqs h GLY 86 N 0.00 0.79 -1.21 1.56 0.00 -1.92 -3.22 103.07 99.07 1lqs h GLY 86 Ca 0.15 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.45 1lqs h GLY 86 CO -0.00 0.92 0.00 1.04 0.00 0.00 0.00 176.54 178.50 1lqs n LEU 87 N -3.94 1.74 -0.30 3.11 4.77 -0.80 -4.47 117.00 117.11 1lqs n LEU 87 Ca -0.05 -0.87 0.14 0.00 -0.03 0.00 0.00 56.01 55.19 1lqs n LEU 87 Cb 0.69 -0.26 0.31 0.00 -2.33 0.00 0.00 43.42 41.82 1lqs n LEU 87 CO 0.51 0.38 0.98 0.11 -1.33 0.00 0.00 177.39 178.03 1lqs h LYS 88 N 1.61 0.25 0.37 3.23 1.57 -1.56 0.24 116.57 122.28 1lqs h LYS 88 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1lqs h LYS 88 Cb 0.50 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1lqs h LYS 88 CO 0.03 0.17 -0.18 1.15 -0.57 0.00 0.00 179.45 180.06 1lqs h THR 89 N 0.26 0.65 -0.80 -0.16 2.02 -1.88 -0.28 112.91 112.72 1lqs h THR 89 Ca 0.56 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.63 1lqs h THR 89 Cb 1.14 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 68.23 1lqs h THR 89 CO -0.62 0.03 0.49 -0.33 0.37 0.00 0.00 175.52 175.47 1lqs h GLU 90 N -0.58 0.88 -0.09 6.66 3.07 -1.57 -1.41 114.58 121.54 1lqs h GLU 90 Ca -0.05 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1lqs h GLU 90 Cb 0.43 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1lqs h GLU 90 CO 0.08 0.58 -0.01 -0.07 -1.40 0.00 0.00 179.01 178.20 1lqs h LEU 91 N 0.91 -0.05 -0.76 1.33 3.38 -0.35 -2.23 115.31 117.54 1lqs h LEU 91 Ca 0.34 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1lqs h LEU 91 Cb 0.14 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1lqs h LEU 91 CO -0.16 -0.01 0.45 0.45 0.09 0.00 0.00 178.44 179.26 1lqs h HIS 92 N 0.02 1.00 -0.48 1.13 3.86 -0.65 -1.13 115.15 118.91 1lqs h HIS 92 Ca 0.04 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1lqs h HIS 92 Cb 0.05 -0.33 -0.05 0.00 1.06 0.00 0.00 27.41 28.15 1lqs h HIS 92 CO -0.13 0.68 0.22 1.03 0.86 0.00 0.00 177.93 180.59 1lqs h SER 93 N 1.04 0.30 -0.12 2.45 0.87 -1.04 0.46 113.55 117.51 1lqs h SER 93 Ca 0.27 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1lqs h SER 93 Cb -0.03 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1lqs h SER 93 CO -0.05 0.21 -0.02 0.24 -0.53 0.00 0.00 176.83 176.68 1lqs h MET 94 N 0.44 0.23 -0.64 2.24 2.07 -1.05 -1.41 114.93 116.80 1lqs h MET 94 Ca 0.22 -0.08 0.07 0.00 -2.07 0.00 0.00 59.70 57.83 1lqs h MET 94 Cb 0.16 -0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 29.81 1lqs h MET 94 CO -0.17 0.51 0.32 -0.09 1.07 0.00 0.00 176.91 178.55 1lqs h ARG 95 N -0.07 0.57 -0.09 1.72 2.43 -0.93 0.31 114.38 118.32 1lqs h ARG 95 Ca 0.03 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1lqs h ARG 95 Cb 0.42 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1lqs h ARG 95 CO 0.01 0.38 -0.12 1.03 -1.51 0.00 0.00 179.97 179.76 1lqs h SER 96 N 0.59 -0.37 -0.34 -3.80 0.87 -0.78 0.49 113.55 110.21 1lqs h SER 96 Ca 0.30 0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.82 1lqs h SER 96 Cb 0.25 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1lqs h SER 96 CO -0.22 -0.16 -0.19 0.74 -0.53 0.00 0.00 176.83 176.47 1lqs h THR 97 N -0.16 1.27 -0.38 2.23 2.02 -0.59 -0.36 112.91 116.94 1lqs h THR 97 Ca 0.07 -1.30 -0.09 0.00 0.77 0.00 0.00 66.41 65.87 1lqs h THR 97 Cb 0.27 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1lqs h THR 97 CO -0.18 0.44 -0.14 0.25 0.37 0.00 0.00 175.52 176.25 1lqs h LEU 98 N 0.72 0.68 -0.26 2.58 5.85 0.05 -1.20 115.31 123.72 1lqs h LEU 98 Ca 0.11 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1lqs h LEU 98 Cb 0.70 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1lqs h LEU 98 CO 0.05 0.84 0.14 -0.08 -0.34 0.00 0.00 178.44 179.05 1lqs h GLU 99 N 0.62 0.36 -0.62 1.25 4.57 0.45 -0.91 114.58 120.30 1lqs h GLU 99 Ca 0.10 -0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.34 1lqs h GLU 99 Cb 0.59 -0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 29.04 1lqs h GLU 99 CO 0.04 0.34 0.21 1.03 -1.18 0.00 0.00 179.01 179.44 1lqs h SER 100 N 0.30 0.17 -0.35 1.04 0.87 -0.35 -1.49 113.55 113.74 1lqs h SER 100 Ca 0.09 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1lqs h SER 100 Cb 0.08 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1lqs h SER 100 CO -0.01 0.10 0.16 0.40 -0.53 0.00 0.00 176.83 176.94 1lqs h ILE 101 N 0.37 1.17 -0.35 2.23 2.04 -0.76 -3.00 117.51 119.21 1lqs h ILE 101 Ca 0.32 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1lqs h ILE 101 Cb 0.42 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1lqs h ILE 101 CO -0.34 0.18 0.19 0.22 0.00 0.00 0.00 178.15 178.40 1lqs h TYR 102 N 0.43 0.35 -0.59 1.37 3.20 -0.22 0.00 116.97 121.51 1lqs h TYR 102 Ca 0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1lqs h TYR 102 Cb 0.14 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1lqs h TYR 102 CO -0.01 0.20 0.39 0.87 -1.64 0.00 0.00 178.16 177.97 1lqs h LYS 103 N 0.39 0.64 0.03 1.82 1.57 -1.31 -2.06 116.57 117.64 1lqs h LYS 103 Ca 0.14 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.67 1lqs h LYS 103 Cb 0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1lqs h LYS 103 CO -0.08 0.42 -0.98 -0.44 -0.57 0.00 0.00 179.45 177.80 1lqs h ASP 104 N 0.66 0.16 0.13 0.86 3.45 -1.26 -3.30 116.42 117.12 1lqs h ASP 104 Ca 0.24 -0.15 -0.13 0.00 0.43 0.00 0.00 57.03 57.42 1lqs h ASP 104 Cb 0.14 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 1lqs h ASP 104 CO -0.07 1.04 -0.46 0.24 -1.57 0.00 0.00 179.24 178.42 1lqs h MET 105 N 0.05 0.40 -0.91 3.56 2.86 -0.36 -2.90 114.93 117.62 1lqs h MET 105 Ca -0.04 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1lqs h MET 105 Cb 1.67 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.32 1lqs h MET 105 CO 0.14 0.78 0.04 0.54 1.06 0.00 0.00 176.91 179.47 1lqs n ARG 106 N -3.99 1.92 0.00 1.72 1.74 -0.84 -2.64 116.66 114.57 1lqs n ARG 106 Ca -0.02 -0.86 0.02 0.00 -0.77 0.00 0.00 57.85 56.22 1lqs n ARG 106 Cb 0.53 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1lqs n ARG 106 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1lqs n GLN 107 N 0.15 2.14 -3.99 5.56 7.27 -1.10 -4.92 117.38 122.49 1lqs n GLN 107 Ca 0.10 -0.43 -0.31 0.00 0.07 0.00 0.00 57.00 56.43 1lqs n GLN 107 Cb 0.58 -0.90 -0.16 0.00 2.41 0.00 0.00 30.24 32.17 1lqs n GLN 107 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1lqs h PRO 109 N 7.91 -0.00 -0.10 0.00 0.11 -1.91 -1.42 132.00 136.59 1lqs h PRO 109 Ca -0.22 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.92 1lqs h PRO 109 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1lqs h PRO 109 CO 0.45 -0.00 0.15 1.25 -0.21 0.00 0.00 178.00 179.64 1lqs h LEU 110 N -0.00 0.00 0.00 2.35 5.85 -1.94 -0.95 115.31 120.62 1lqs h LEU 110 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1lqs h LEU 110 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1lqs h LEU 110 CO -0.40 0.00 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.32 1lqs h LEU 111 N 0.00 0.00 0.00 2.25 3.38 -1.54 -3.46 115.31 115.94 1lqs h LEU 111 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1lqs h LEU 111 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1lqs h LEU 111 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1lqs n GLY 112 N 1.13 1.75 3.84 0.83 0.00 -0.36 -4.95 105.19 107.43 1lqs n GLY 112 Ca 0.03 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 1lqs n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqs h GLY 116 N 2.13 0.14 0.12 0.00 0.00 -1.93 -3.31 103.07 100.22 1lqs h GLY 116 Ca -0.48 -0.28 0.14 0.00 0.00 0.00 0.00 47.33 46.71 1lqs h GLY 116 CO 0.64 0.24 0.22 1.29 0.00 0.00 0.00 176.54 178.94 1lqs h ASP 117 N 0.06 0.14 -0.89 0.19 2.03 -1.98 0.85 116.42 116.83 1lqs h ASP 117 Ca -0.04 0.12 0.26 0.00 -0.73 0.00 0.00 57.03 56.63 1lqs h ASP 117 Cb 1.56 0.13 -0.04 0.00 -0.83 0.00 0.00 39.33 40.15 1lqs h ASP 117 CO 0.13 0.05 0.74 0.11 -1.03 0.00 0.00 179.24 179.24 1lqs h LYS 118 N 0.35 0.00 0.08 4.15 1.57 -1.99 -1.32 116.57 119.41 1lqs h LYS 118 Ca 0.38 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.06 1lqs h LYS 118 Cb 0.59 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1lqs h LYS 118 CO -0.42 0.00 -0.46 0.77 -0.57 0.00 0.00 179.45 178.77 1lqs h SER 119 N 0.00 0.28 -0.01 0.86 0.02 -1.04 -2.97 113.55 110.69 1lqs h SER 119 Ca 0.42 -0.96 -0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1lqs h SER 119 Cb 1.90 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 64.35 1lqs h SER 119 CO -0.00 1.21 0.00 0.58 -1.14 0.00 0.00 176.83 177.48 1lqs h VAL 120 N -0.61 1.07 -0.88 2.27 2.07 -1.20 -0.69 116.25 118.28 1lqs h VAL 120 Ca -0.08 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.34 1lqs h VAL 120 Cb 1.35 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 1lqs h VAL 120 CO 0.09 0.05 0.57 0.40 0.02 0.00 0.00 177.57 178.70 1lqs h ILE 121 N -0.07 0.94 -0.01 4.57 2.04 -1.48 -0.67 117.51 122.83 1lqs h ILE 121 Ca 0.00 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1lqs h ILE 121 Cb 0.08 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1lqs h ILE 121 CO -0.00 0.15 0.00 -1.28 0.00 0.00 0.00 178.15 177.02 1lqs h SER 122 N 0.83 0.01 -0.27 1.72 0.87 -1.27 -2.25 113.55 113.19 1lqs h SER 122 Ca 0.42 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1lqs h SER 122 Cb 0.48 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1lqs h SER 122 CO -0.18 0.31 0.11 -0.09 -0.53 0.00 0.00 176.83 176.45 1lqs h ARG 123 N -0.29 0.48 -0.00 2.24 2.43 -0.41 -2.49 114.38 116.34 1lqs h ARG 123 Ca 0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1lqs h ARG 123 Cb 0.31 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1lqs h ARG 123 CO 0.00 0.43 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.81 1lqs h LEU 124 N 0.48 0.01 -2.17 3.80 3.38 -1.10 -3.12 115.31 116.58 1lqs h LEU 124 Ca 0.12 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1lqs h LEU 124 Cb 0.15 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1lqs h LEU 124 CO -0.01 0.46 -0.06 -1.28 0.09 0.00 0.00 178.44 177.64 1lqs h SER 125 N -0.45 0.00 0.20 -0.43 0.87 -1.23 -2.35 113.55 110.16 1lqs h SER 125 Ca 0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.30 1lqs h SER 125 Cb 0.46 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1lqs h SER 125 CO 0.00 0.06 -1.06 1.56 -0.53 0.00 0.00 176.83 176.86 1lqs h GLN 126 N 0.00 0.54 0.09 2.24 4.20 -1.44 -2.66 115.11 118.08 1lqs h GLN 126 Ca -0.00 -0.63 -0.00 0.00 0.06 0.00 0.00 58.65 58.07 1lqs h GLN 126 Cb 0.23 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1lqs h GLN 126 CO 0.01 1.25 -0.04 0.93 -0.67 0.00 0.00 178.83 180.30 1lqs h GLU 127 N 0.28 -0.11 0.00 1.46 5.08 -1.44 -1.28 114.58 118.57 1lqs h GLU 127 Ca -0.12 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1lqs h GLU 127 Cb 1.72 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.99 1lqs h GLU 127 CO 0.20 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 1lqs n ALA 128 N -2.38 1.35 0.06 3.43 0.00 -0.91 -1.55 120.51 120.50 1lqs n ALA 128 Ca -0.09 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1lqs n ALA 128 Cb 0.24 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 1lqs n ALA 128 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1lqs n GLU 129 N -1.19 4.65 -0.19 0.00 4.71 -0.99 -2.36 120.64 125.27 1lqs n GLU 129 Ca 0.01 -0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.25 1lqs n GLU 129 Cb 0.01 -0.71 0.26 0.00 -1.01 0.00 0.00 31.44 29.99 1lqs n GLU 129 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1lqs n ARG 130 N -1.19 2.10 -2.96 3.49 1.85 -0.52 -4.72 116.66 114.71 1lqs n ARG 130 Ca 0.00 -1.68 -0.36 0.00 -1.00 0.00 0.00 57.85 54.81 1lqs n ARG 130 Cb 0.03 -1.41 -0.06 0.00 -1.05 0.00 0.00 32.46 29.97 1lqs n ARG 130 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1lqs s LYS 131 N -1.50 4.39 0.00 2.89 -0.14 -1.17 -4.94 119.74 119.27 1lqs s LYS 131 Ca 0.34 1.06 0.04 0.00 -1.36 0.00 0.00 55.97 56.05 1lqs s LYS 131 Cb 0.18 -2.84 0.17 0.00 -1.68 0.00 0.00 37.83 33.66 1lqs s LYS 131 CO 0.25 0.34 1.13 -1.13 -0.76 0.00 0.00 175.35 175.18 1lqs n SER 132 N 0.65 0.00 -0.27 2.83 3.41 -1.26 -1.56 113.62 117.42 1lqs n SER 132 Ca -0.00 0.50 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 1lqs n SER 132 Cb 0.51 -0.50 0.10 0.00 -0.26 0.00 0.00 64.21 64.06 1lqs n SER 132 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1lqs n ASP 133 N -1.50 1.56 -1.32 4.04 5.75 -1.26 -4.95 116.55 118.87 1lqs n ASP 133 Ca 0.01 -2.77 -0.17 0.00 -0.01 0.00 0.00 54.79 51.85 1lqs n ASP 133 Cb 0.05 -0.36 -0.07 0.00 -1.03 0.00 0.00 41.12 39.70 1lqs n ASP 133 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1lqs n ASN 134 N -0.93 -5.06 -0.94 -1.12 3.02 -0.60 -3.09 115.26 106.53 1lqs n ASN 134 Ca 0.11 0.42 -0.09 0.00 -0.03 0.00 0.00 54.58 54.99 1lqs n ASN 134 Cb 0.67 -4.07 -0.01 0.00 -0.61 0.00 0.00 39.78 35.76 1lqs n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lqs n GLY 135 N -0.87 0.28 0.22 7.41 0.00 -0.99 -4.48 105.19 106.76 1lqs n GLY 135 Ca -0.17 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 1lqs n GLY 135 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1lqs h THR 136 N 0.00 1.29 0.27 2.61 2.02 -1.85 -2.61 112.91 114.65 1lqs h THR 136 Ca -0.21 -1.92 -0.01 0.00 0.77 0.00 0.00 66.41 65.04 1lqs h THR 136 Cb 1.01 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1lqs h THR 136 CO 0.26 0.61 -0.13 -0.09 0.37 0.00 0.00 175.52 176.54 1lqs h ARG 137 N 0.54 -0.35 -0.19 6.66 2.43 -1.91 -1.66 114.38 119.90 1lqs h ARG 137 Ca -0.03 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1lqs h ARG 137 Cb 1.32 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 1lqs h ARG 137 CO 0.14 -0.16 -0.18 -0.22 -1.51 0.00 0.00 179.97 178.05 1lqs h LYS 138 N -0.47 0.32 -0.15 0.20 1.63 -1.98 -0.83 116.57 115.30 1lqs h LYS 138 Ca -0.04 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 1lqs h LYS 138 Cb 0.35 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1lqs h LYS 138 CO 0.06 0.50 0.04 0.78 -3.45 0.00 0.00 179.45 177.39 1lqs h GLY 139 N 0.90 0.25 2.00 5.01 0.00 -1.29 -1.34 103.07 108.60 1lqs h GLY 139 Ca 0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1lqs h GLY 139 CO 0.03 0.14 -0.34 1.41 0.00 0.00 0.00 176.54 177.79 1lqs h LEU 140 N 0.06 0.00 -1.22 3.11 3.38 -1.15 -2.72 115.31 116.76 1lqs h LEU 140 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1lqs h LEU 140 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1lqs h LEU 140 CO -0.00 0.34 -0.29 -1.28 0.09 0.00 0.00 178.44 177.30 1lqs h SER 141 N 0.00 0.00 -0.45 -0.43 0.87 -0.79 -3.12 113.55 109.64 1lqs h SER 141 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1lqs h SER 141 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1lqs h SER 141 CO 0.04 0.29 0.00 -0.62 -0.53 0.00 0.00 176.83 176.02 1lqs n GLU 142 N -3.60 3.64 -0.11 2.24 1.02 -0.54 -4.51 120.64 118.78 1lqs n GLU 142 Ca -0.01 -2.85 0.17 0.00 -0.02 0.00 0.00 57.16 54.45 1lqs n GLU 142 Cb 0.42 -1.90 0.57 0.00 -0.02 0.00 0.00 31.44 30.51 1lqs n GLU 142 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1lqs h LEU 143 N 2.96 0.26 -0.28 -4.62 3.38 -1.52 0.21 115.31 115.70 1lqs h LEU 143 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1lqs h LEU 143 Cb 1.51 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1lqs h LEU 143 CO 0.27 0.14 0.05 -2.24 0.09 0.00 0.00 178.44 176.75 1lqs h ASP 144 N 0.28 0.44 -0.35 -0.43 2.03 -1.86 -1.14 116.42 115.38 1lqs h ASP 144 Ca 0.33 -0.25 -0.02 0.00 -0.73 0.00 0.00 57.03 56.35 1lqs h ASP 144 Cb 0.90 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 39.27 1lqs h ASP 144 CO -0.08 0.58 0.13 0.74 -1.03 0.00 0.00 179.24 179.58 1lqs h THR 145 N 0.28 1.20 -0.43 1.15 2.02 -1.41 -2.79 112.91 112.93 1lqs h THR 145 Ca 0.09 -0.62 0.08 0.00 0.77 0.00 0.00 66.41 66.73 1lqs h THR 145 Cb 0.32 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 1lqs h THR 145 CO 0.00 0.22 0.04 0.25 0.37 0.00 0.00 175.52 176.40 1lqs h LEU 146 N 0.42 -0.10 -2.55 2.58 5.85 -0.51 -0.13 115.31 120.88 1lqs h LEU 146 Ca 0.12 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1lqs h LEU 146 Cb 0.21 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1lqs h LEU 146 CO -0.01 -0.01 0.03 -0.26 -0.34 0.00 0.00 178.44 177.85 1lqs h PHE 147 N 0.16 0.00 0.10 1.25 0.04 -0.95 0.20 116.94 117.73 1lqs h PHE 147 Ca 0.21 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.81 1lqs h PHE 147 Cb 0.29 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.45 1lqs h PHE 147 CO -0.25 0.00 -0.80 0.77 -0.60 0.00 0.00 178.31 177.43 1lqs h SER 148 N 0.00 0.34 -0.46 2.17 0.02 -0.83 -2.37 113.55 112.41 1lqs h SER 148 Ca 0.01 -0.92 0.05 0.00 -0.84 0.00 0.00 61.79 60.09 1lqs h SER 148 Cb 0.07 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 1lqs h SER 148 CO -0.00 1.37 0.20 0.03 -1.14 0.00 0.00 176.83 177.29 1lqs h ARG 149 N -0.51 0.39 -0.04 3.45 2.47 -0.56 0.42 114.38 120.00 1lqs h ARG 149 Ca -0.16 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1lqs h ARG 149 Cb 1.53 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.76 1lqs h ARG 149 CO 0.09 0.26 0.03 1.25 0.56 0.00 0.00 179.97 182.15 1lqs h LEU 150 N 0.41 0.05 -0.45 3.04 5.85 -1.07 0.52 115.31 123.65 1lqs h LEU 150 Ca 0.21 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1lqs h LEU 150 Cb 0.16 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1lqs h LEU 150 CO -0.18 0.09 0.09 -0.08 -0.34 0.00 0.00 178.44 178.02 1lqs h GLU 151 N 0.01 0.74 -0.64 1.25 4.81 -1.01 -0.84 114.58 118.90 1lqs h GLU 151 Ca 0.02 -0.19 0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1lqs h GLU 151 Cb 0.05 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.27 1lqs h GLU 151 CO -0.00 0.75 0.30 1.49 -0.73 0.00 0.00 179.01 180.82 1lqs h GLU 152 N 0.61 0.52 0.41 1.92 4.81 0.12 -2.52 114.58 120.45 1lqs h GLU 152 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1lqs h GLU 152 Cb 0.36 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1lqs h GLU 152 CO 0.01 0.34 -0.32 -0.92 -0.73 0.00 0.00 179.01 177.39 1lqs h TYR 153 N 0.53 -0.84 -1.08 0.92 3.20 0.70 -2.25 116.97 118.14 1lqs h TYR 153 Ca 0.31 -0.00 0.31 0.00 3.14 0.00 0.00 58.73 62.49 1lqs h TYR 153 Cb 0.32 0.31 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1lqs h TYR 153 CO -0.12 -0.47 0.77 -0.07 -1.64 0.00 0.00 178.16 176.63 1lqs h LEU 154 N -0.72 0.05 0.00 2.82 3.38 -0.77 0.28 115.31 120.35 1lqs h LEU 154 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1lqs h LEU 154 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1lqs h LEU 154 CO -0.00 0.01 -0.38 0.45 0.09 0.00 0.00 178.44 178.61 1lqs h HIS 155 N 0.05 0.00 0.00 1.13 3.86 -1.02 -3.35 115.15 115.81 1lqs h HIS 155 Ca 0.52 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.72 1lqs h HIS 155 Cb 2.01 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.47 1lqs h HIS 155 CO -0.00 0.00 -0.06 0.66 0.86 0.00 0.00 177.93 179.39 1lqs h SER 156 N 0.00 0.00 0.00 2.45 4.64 0.04 -3.52 113.55 117.16 1lqs h SER 156 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lqs h SER 156 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1lqs h SER 156 CO 0.00 0.06 0.00 -2.11 -0.87 0.00 0.00 176.83 173.91