#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 1.43 0.03 1.09 2.20 -1.26 -4.93 119.74 118.30 1lqs s LYS 9 Ca 0.00 1.62 -0.27 0.00 -0.36 0.00 0.00 55.97 56.96 1lqs s LYS 9 Cb 0.00 -1.77 -0.15 0.00 -1.51 0.00 0.00 37.83 34.40 1lqs s LYS 9 CO 0.00 -2.34 1.30 -1.35 -0.36 0.00 0.00 175.35 172.60 1lqs h PRO 10 N -1.32 -0.95 0.00 4.03 0.11 -2.00 -2.86 132.00 129.01 1lqs h PRO 10 Ca -0.45 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1lqs h PRO 10 Cb 1.28 0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.60 1lqs h PRO 10 CO 0.45 -0.63 0.35 1.04 -0.21 0.00 0.00 178.00 179.00 1lqs n GLN 11 N -4.88 0.03 0.03 1.05 3.00 -1.26 -1.24 117.38 114.10 1lqs n GLN 11 Ca -0.12 0.36 -0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1lqs n GLN 11 Cb 0.39 -1.95 -0.14 0.00 0.00 0.00 0.00 30.24 28.54 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 -2.63 4.46 0.45 0.00 1.70 -0.38 -4.97 118.95 117.59 1lqs s ARG 13 Ca -0.06 1.03 0.21 0.00 -0.47 0.00 0.00 55.73 56.44 1lqs s ARG 13 Cb 0.08 -3.28 1.19 0.00 -0.57 0.00 0.00 34.95 32.37 1lqs s ARG 13 CO 0.83 0.53 1.86 -1.35 -1.08 0.00 0.00 175.30 176.08 1lqs h PRO 16 N 4.68 0.29 -0.18 3.89 0.11 -1.91 -2.21 132.00 136.67 1lqs h PRO 16 Ca -0.47 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1lqs h PRO 16 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1lqs h PRO 16 CO 0.66 0.19 0.18 0.93 -0.21 0.00 0.00 178.00 179.76 1lqs h GLU 17 N 0.30 0.00 0.00 1.05 3.07 -1.93 -0.26 114.58 116.80 1lqs h GLU 17 Ca 0.47 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.30 1lqs h GLU 17 Cb 1.34 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1lqs h GLU 17 CO -0.14 0.00 -0.11 -0.44 -1.40 0.00 0.00 179.01 176.91 1lqs h ASP 18 N 0.00 0.00 0.25 1.42 3.45 -1.69 -3.01 116.42 116.83 1lqs h ASP 18 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1lqs h ASP 18 Cb 0.45 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1lqs h ASP 18 CO -0.00 0.11 -0.80 -1.22 -1.57 0.00 0.00 179.24 175.76 1lqs n TYR 19 N -3.28 0.02 0.07 4.55 4.02 -0.12 -4.57 117.16 117.85 1lqs n TYR 19 Ca 0.00 0.01 -0.15 0.00 -0.01 0.00 0.00 57.90 57.75 1lqs n TYR 19 Cb 0.35 -0.15 -0.09 0.00 -0.02 0.00 0.00 39.34 39.43 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 2.95 -0.94 -0.46 -0.72 0.00 -1.47 0.94 119.26 119.56 1lqs h ALA 20 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1lqs h ALA 20 Cb 0.52 0.91 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1lqs h ALA 20 CO 0.00 -1.08 0.09 1.15 0.00 0.00 0.00 179.25 179.41 1lqs h THR 21 N -0.66 0.75 -0.40 0.00 2.02 -1.81 0.30 112.91 113.11 1lqs h THR 21 Ca 0.00 -0.08 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 1lqs h THR 21 Cb 0.69 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1lqs h THR 21 CO -0.31 0.04 -0.15 0.03 0.37 0.00 0.00 175.52 175.50 1lqs h ARG 22 N 0.23 0.75 -0.63 6.66 3.08 -1.78 0.81 114.38 123.49 1lqs h ARG 22 Ca 0.23 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1lqs h ARG 22 Cb 0.29 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1lqs h ARG 22 CO -0.30 0.86 0.36 -0.07 -1.07 0.00 0.00 179.97 179.76 1lqs h LEU 23 N 0.67 0.78 -0.64 3.04 3.38 -0.27 -1.36 115.31 120.91 1lqs h LEU 23 Ca 0.11 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1lqs h LEU 23 Cb 0.63 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1lqs h LEU 23 CO 0.04 0.63 0.26 -0.61 0.09 0.00 0.00 178.44 178.85 1lqs h GLN 24 N 0.86 0.96 0.32 1.13 4.15 -0.39 -2.54 115.11 119.61 1lqs h GLN 24 Ca 0.22 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1lqs h GLN 24 Cb 0.02 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.55 1lqs h GLN 24 CO -0.04 0.81 -0.16 -0.44 -1.93 0.00 0.00 178.83 177.07 1lqs h ASP 25 N 0.90 -0.37 -0.91 -0.69 3.32 -0.46 -1.35 116.42 116.87 1lqs h ASP 25 Ca 0.21 0.01 0.25 0.00 0.02 0.00 0.00 57.03 57.53 1lqs h ASP 25 Cb 0.21 0.10 -0.14 0.00 0.22 0.00 0.00 39.33 39.71 1lqs h ASP 25 CO -0.02 -0.26 0.30 -0.07 -1.72 0.00 0.00 179.24 177.47 1lqs h LEU 26 N -0.44 0.10 -0.20 1.55 3.38 -1.14 -0.86 115.31 117.69 1lqs h LEU 26 Ca -0.04 0.20 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 1lqs h LEU 26 Cb 0.34 0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1lqs h LEU 26 CO 0.07 -0.16 -0.81 0.03 0.09 0.00 0.00 178.44 177.67 1lqs h ARG 27 N 0.23 0.66 -0.39 1.13 3.08 -0.99 -0.95 114.38 117.14 1lqs h ARG 27 Ca 0.59 -0.57 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1lqs h ARG 27 Cb 1.23 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 1lqs h ARG 27 CO -0.65 1.18 -0.13 -0.39 -1.07 0.00 0.00 179.97 178.91 1lqs h VAL 28 N 0.43 1.28 -0.66 2.04 -1.51 -0.17 0.16 116.25 117.82 1lqs h VAL 28 Ca -0.06 -1.23 -0.01 0.00 -1.23 0.00 0.00 66.70 64.17 1lqs h VAL 28 Cb 1.43 1.27 -0.03 0.00 -2.13 0.00 0.00 31.29 31.83 1lqs h VAL 28 CO 0.16 0.41 0.38 0.74 -1.23 0.00 0.00 177.57 178.03 1lqs h THR 29 N 0.57 1.20 0.00 7.19 2.02 -1.23 -1.04 112.91 121.61 1lqs h THR 29 Ca 0.09 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1lqs h THR 29 Cb 0.66 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1lqs h THR 29 CO 0.04 0.21 -0.09 0.15 0.37 0.00 0.00 175.52 176.21 1lqs h PHE 30 N 0.90 0.00 -0.18 3.16 3.57 -0.79 -2.79 116.94 120.80 1lqs h PHE 30 Ca 0.23 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.57 1lqs h PHE 30 Cb 0.01 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1lqs h PHE 30 CO -0.01 0.09 -0.57 1.25 -2.23 0.00 0.00 178.31 176.84 1lqs h HIS 31 N 0.00 0.73 0.00 0.41 2.76 0.39 -0.78 115.15 118.66 1lqs h HIS 31 Ca -0.00 -0.27 -0.04 0.00 -2.20 0.00 0.00 60.37 57.86 1lqs h HIS 31 Cb 0.34 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1lqs h HIS 31 CO 0.00 1.02 -0.19 0.07 -1.30 0.00 0.00 177.93 177.53 1lqs h ARG 32 N 0.44 0.00 -0.01 5.26 0.11 -1.26 -3.19 114.38 115.72 1lqs h ARG 32 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1lqs h ARG 32 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1lqs h ARG 32 CO 0.11 0.19 -0.03 1.55 0.10 0.00 0.00 179.97 181.88 1lqs n VAL 33 N -3.27 0.00 -0.16 0.08 3.14 -1.21 -4.73 118.33 112.18 1lqs n VAL 33 Ca 0.01 -0.48 -0.02 0.00 -2.96 0.00 0.00 64.34 60.88 1lqs n VAL 33 Cb 0.46 1.23 0.05 0.00 -1.06 0.00 0.00 33.84 34.53 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 2.19 0.06 0.00 1.45 3.64 -1.12 -1.90 116.57 120.89 1lqs h LYS 34 Ca 0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1lqs h LYS 34 Cb 0.48 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1lqs h LYS 34 CO 0.00 0.04 -0.02 -1.00 -2.27 0.00 0.00 179.45 176.21 1lqs h PRO 35 N 0.07 0.00 0.18 1.90 0.13 -1.85 0.21 132.00 132.64 1lqs h PRO 35 Ca 0.25 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.13 1lqs h PRO 35 Cb 0.38 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.54 1lqs h PRO 35 CO -0.45 0.02 -1.09 1.15 -0.23 0.00 0.00 178.00 177.39 1lqs h THR 36 N 0.00 1.41 0.03 1.56 2.02 -1.72 -3.22 112.91 112.98 1lqs h THR 36 Ca -0.00 -2.58 -0.21 0.00 0.77 0.00 0.00 66.41 64.39 1lqs h THR 36 Cb 0.04 3.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.53 1lqs h THR 36 CO 0.00 0.75 -0.97 -0.07 0.37 0.00 0.00 175.52 175.60 1lqs h LEU 37 N -0.12 0.19 -3.92 2.58 3.38 -0.84 -3.26 115.31 113.31 1lqs h LEU 37 Ca -0.19 -0.18 -0.59 0.00 0.09 0.00 0.00 57.88 57.02 1lqs h LEU 37 Cb 1.85 -0.06 -0.30 0.00 0.09 0.00 0.00 40.66 42.25 1lqs h LEU 37 CO 0.21 1.05 0.57 0.00 0.09 0.00 0.00 178.44 180.35 1lqs n GLN 38 N -3.55 2.61 0.00 1.13 6.02 0.69 -4.43 117.38 119.86 1lqs n GLN 38 Ca -0.03 -3.31 0.01 0.00 -0.01 0.00 0.00 57.00 53.66 1lqs n GLN 38 Cb 0.88 -2.22 -0.11 0.00 1.02 0.00 0.00 30.24 29.80 1lqs n GLN 38 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1lqs n ARG 40 N -0.97 0.64 -0.70 -1.09 1.85 -1.22 -4.94 116.66 110.24 1lqs n ARG 40 Ca 0.58 0.09 -0.29 0.00 -1.00 0.00 0.00 57.85 57.23 1lqs n ARG 40 Cb 0.97 -1.70 0.13 0.00 -1.05 0.00 0.00 32.46 30.82 1lqs n ARG 40 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1lqs n GLU 41 N -2.73 -1.45 0.00 2.89 2.13 -1.26 -4.94 120.64 115.27 1lqs n GLU 41 Ca -0.13 -0.42 0.11 0.00 0.66 0.00 0.00 57.16 57.39 1lqs n GLU 41 Cb 0.84 -1.48 0.03 0.00 0.27 0.00 0.00 31.44 31.09 1lqs n GLU 41 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1lqs n ASP 42 N -0.44 1.52 -4.65 4.31 2.03 -1.26 -4.92 116.55 113.15 1lqs n ASP 42 Ca 0.01 -1.21 -0.43 0.00 0.52 0.00 0.00 54.79 53.68 1lqs n ASP 42 Cb 0.56 0.57 -0.02 0.00 -0.72 0.00 0.00 41.12 41.51 1lqs n ASP 42 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1lqs s ASP 43 N -2.66 6.98 -0.40 1.67 3.68 -1.26 -4.93 116.67 119.75 1lqs s ASP 43 Ca 0.16 1.15 0.05 0.00 2.13 0.00 0.00 52.55 56.04 1lqs s ASP 43 Cb 0.18 -2.53 0.51 0.00 -1.45 0.00 0.00 42.92 39.63 1lqs s ASP 43 CO 0.66 -0.77 1.60 -1.22 0.13 0.00 0.00 175.17 175.57 1lqs n TYR 44 N 6.59 2.20 -2.98 -5.34 4.02 -1.26 -5.00 117.16 115.37 1lqs n TYR 44 Ca 0.11 -2.09 -0.25 0.00 -0.01 0.00 0.00 57.90 55.66 1lqs n TYR 44 Cb 0.47 -0.74 -0.00 0.00 -0.02 0.00 0.00 39.34 39.04 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 -2.42 6.23 -0.35 7.72 1.04 -1.26 -5.07 113.70 119.59 1lqs s SER 45 Ca 0.52 0.67 -0.06 0.00 0.48 0.00 0.00 55.95 57.56 1lqs s SER 45 Cb 0.44 -2.09 0.05 0.00 0.10 0.00 0.00 66.02 64.52 1lqs s SER 45 CO 0.02 -0.47 0.12 -0.69 0.98 0.00 0.00 173.24 173.20 1lqs s VAL 46 N -2.55 3.77 -0.10 5.02 1.01 -1.26 -4.98 120.40 121.32 1lqs s VAL 46 Ca 0.44 -1.22 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 1lqs s VAL 46 Cb -0.10 -3.18 -0.24 0.00 0.00 0.00 0.00 36.38 32.86 1lqs s VAL 46 CO 0.40 -0.24 0.94 -0.25 0.00 0.00 0.00 175.10 175.95 1lqs h TRP 47 N 8.22 -0.00 -3.13 5.22 7.01 -2.01 -3.39 115.95 127.87 1lqs h TRP 47 Ca -0.23 -0.00 -0.76 0.00 2.11 0.00 0.00 58.89 60.01 1lqs h TRP 47 Cb 1.08 0.00 -0.23 0.00 -2.10 0.00 0.00 29.16 27.91 1lqs h TRP 47 CO 0.59 0.82 0.62 -0.51 -2.79 0.00 0.00 178.44 177.17 1lqs s LEU 48 N -8.57 5.96 1.16 0.65 1.43 -1.26 -5.04 118.68 113.00 1lqs s LEU 48 Ca -0.18 -2.95 -0.15 0.00 -1.03 0.00 0.00 54.13 49.83 1lqs s LEU 48 Cb -0.01 -2.28 0.27 0.00 0.03 0.00 0.00 46.19 44.19 1lqs s LEU 48 CO 0.68 -0.60 1.04 1.51 0.23 0.00 0.00 176.35 179.21 1lqs s ASP 49 N 2.28 1.16 0.60 2.29 -4.77 -1.26 -4.91 116.67 112.07 1lqs s ASP 49 Ca 0.30 1.20 0.31 0.00 -3.30 0.00 0.00 52.55 51.06 1lqs s ASP 49 Cb -0.08 -1.84 1.87 0.00 -1.09 0.00 0.00 42.92 41.78 1lqs s ASP 49 CO -0.07 -4.04 2.26 1.23 0.70 0.00 0.00 175.17 175.25 1lqs h GLY 50 N -2.52 0.00 0.16 2.12 0.00 -1.97 -2.91 103.07 97.96 1lqs h GLY 50 Ca -0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1lqs h GLY 50 CO 0.49 0.00 -1.08 -1.30 0.00 0.00 0.00 176.54 174.65 1lqs n THR 51 N -3.77 0.02 -0.60 4.70 -2.24 -1.26 -4.64 114.28 106.49 1lqs n THR 51 Ca -0.03 -0.09 0.46 0.00 -2.27 0.00 0.00 64.05 62.12 1lqs n THR 51 Cb 0.10 0.72 0.71 0.00 -2.10 0.00 0.00 70.33 69.76 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 -1.64 -0.04 -0.94 2.28 3.14 -1.10 -0.11 118.33 119.92 1lqs n VAL 52 Ca 0.03 1.36 0.05 0.00 -2.96 0.00 0.00 64.34 62.82 1lqs n VAL 52 Cb 0.37 -2.26 0.07 0.00 -1.06 0.00 0.00 33.84 30.96 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 -3.82 1.15 -3.61 1.55 0.31 -1.26 -4.78 118.33 107.87 1lqs n VAL 56 Ca 0.39 -1.33 -0.28 0.00 -0.01 0.00 0.00 64.34 63.11 1lqs n VAL 56 Cb 1.73 0.20 -0.03 0.00 -0.91 0.00 0.00 33.84 34.82 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 -1.61 3.57 0.38 5.55 1.02 0.84 -4.40 119.74 125.09 1lqs s LYS 57 Ca 0.15 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 55.93 1lqs s LYS 57 Cb 0.13 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1lqs s LYS 57 CO 0.01 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1lqs n GLY 58 N -0.56 -2.05 0.27 -3.33 0.00 -1.26 -3.91 105.19 94.35 1lqs n GLY 58 Ca -0.04 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 1lqs n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqs h TRP 60 N 0.91 0.00 -0.69 0.00 -0.00 -1.96 -3.36 115.95 110.86 1lqs h TRP 60 Ca 0.26 0.00 0.11 0.00 -0.00 0.00 0.00 58.89 59.26 1lqs h TRP 60 Cb -0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 29.16 28.97 1lqs h TRP 60 CO -0.03 0.00 -0.38 0.78 -0.00 0.00 0.00 178.44 178.81 1lqs h GLY 61 N 2.17 -0.20 -0.29 1.49 0.00 -1.57 -0.98 103.07 103.70 1lqs h GLY 61 Ca 0.00 0.50 0.21 0.00 0.00 0.00 0.00 47.33 48.05 1lqs h GLY 61 CO 0.00 -0.18 0.28 0.00 0.00 0.00 0.00 176.54 176.63 1lqs h SER 63 N 0.29 0.35 -0.44 0.00 0.87 -1.49 -2.93 113.55 110.21 1lqs h SER 63 Ca 0.53 -0.49 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1lqs h SER 63 Cb 1.01 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 1lqs h SER 63 CO -0.58 0.78 0.26 0.58 -0.53 0.00 0.00 176.83 177.33 1lqs h VAL 64 N -0.06 1.14 -0.35 2.23 2.07 -0.56 -1.94 116.25 118.78 1lqs h VAL 64 Ca 0.02 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.26 1lqs h VAL 64 Cb 0.68 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1lqs h VAL 64 CO 0.04 0.15 -0.05 -0.03 0.02 0.00 0.00 177.57 177.69 1lqs h MET 65 N 0.57 0.03 -0.84 1.57 4.05 -1.02 0.63 114.93 119.93 1lqs h MET 65 Ca 0.16 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.60 1lqs h MET 65 Cb 0.01 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.76 1lqs h MET 65 CO -0.03 0.02 0.54 0.22 0.23 0.00 0.00 176.91 177.90 1lqs h ASP 66 N 0.03 0.90 -0.51 1.39 3.58 -1.32 -0.50 116.42 120.01 1lqs h ASP 66 Ca 0.17 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 1lqs h ASP 66 Cb 0.25 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1lqs h ASP 66 CO -0.33 0.63 -0.08 -0.25 -2.88 0.00 0.00 179.24 176.33 1lqs h TRP 67 N 1.06 1.09 -0.38 0.28 7.01 -0.46 -1.50 115.95 123.05 1lqs h TRP 67 Ca 0.33 -0.21 -0.07 0.00 2.11 0.00 0.00 58.89 61.05 1lqs h TRP 67 Cb -0.01 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 1lqs h TRP 67 CO -0.02 1.00 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.52 1lqs h LEU 68 N 0.88 0.70 -0.15 0.65 3.38 -0.46 0.44 115.31 120.75 1lqs h LEU 68 Ca 0.14 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1lqs h LEU 68 Cb 0.63 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1lqs h LEU 68 CO 0.04 0.87 0.07 -0.07 0.09 0.00 0.00 178.44 179.44 1lqs h LEU 69 N 0.52 0.10 -0.56 1.67 3.38 -0.91 -1.06 115.31 118.43 1lqs h LEU 69 Ca 0.10 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1lqs h LEU 69 Cb 0.53 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1lqs h LEU 69 CO 0.03 0.08 0.07 0.03 0.09 0.00 0.00 178.44 178.74 1lqs h ARG 70 N 0.15 0.95 0.19 1.13 3.08 -1.21 -0.69 114.38 117.98 1lqs h ARG 70 Ca 0.06 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.85 1lqs h ARG 70 Cb 0.02 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1lqs h ARG 70 CO -0.05 0.92 -0.49 -0.09 -1.07 0.00 0.00 179.97 179.20 1lqs h ARG 71 N 0.84 -0.74 0.21 0.04 9.65 -0.59 0.23 114.38 124.02 1lqs h ARG 71 Ca 0.17 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.10 1lqs h ARG 71 Cb 0.45 0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1lqs h ARG 71 CO 0.02 -0.49 -0.19 1.88 2.80 0.00 0.00 179.97 183.98 1lqs h TYR 72 N -0.77 -0.51 -0.59 2.20 0.05 -1.11 0.33 116.97 116.57 1lqs h TYR 72 Ca -0.01 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1lqs h TYR 72 Cb 0.76 0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.66 1lqs h TYR 72 CO -0.39 -0.29 0.39 -0.07 -1.05 0.00 0.00 178.16 176.75 1lqs h LEU 73 N -0.43 0.65 0.00 3.88 3.38 -0.95 -1.76 115.31 120.09 1lqs h LEU 73 Ca -0.00 -0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.58 1lqs h LEU 73 Cb 0.40 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1lqs h LEU 73 CO -0.04 0.47 -2.38 -0.62 0.09 0.00 0.00 178.44 175.96 1lqs n GLU 74 N -4.45 0.68 -0.04 1.13 1.02 0.79 -4.67 120.64 115.10 1lqs n GLU 74 Ca 0.06 0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.12 1lqs n GLU 74 Cb 0.07 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 1lqs n GLU 74 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1lqs n ILE 75 N -2.81 0.83 0.17 -3.67 2.08 0.11 -4.75 119.36 111.32 1lqs n ILE 75 Ca -0.34 -0.03 -0.11 0.00 0.56 0.00 0.00 62.75 62.84 1lqs n ILE 75 Cb 1.14 -1.73 -0.06 0.00 -0.75 0.00 0.00 39.64 38.25 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 -0.41 0.32 -0.08 1.39 2.07 -1.43 -2.74 116.25 115.39 1lqs h VAL 76 Ca -0.21 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.66 1lqs h VAL 76 Cb 1.01 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1lqs h VAL 76 CO -0.13 0.07 -0.35 -0.26 0.02 0.00 0.00 177.57 176.93 1lqs h PHE 77 N -1.03 -0.98 -0.98 1.57 -1.00 -1.61 0.86 116.94 113.78 1lqs h PHE 77 Ca -0.05 0.04 0.22 0.00 2.81 0.00 0.00 57.97 60.98 1lqs h PHE 77 Cb 0.50 0.44 -0.12 0.00 3.61 0.00 0.00 35.95 40.39 1lqs h PHE 77 CO 0.03 -0.43 0.57 -1.35 -1.61 0.00 0.00 178.31 175.51 1lqs h PRO 78 N -0.46 0.61 -0.04 1.51 0.11 -1.80 1.11 132.00 133.04 1lqs h PRO 78 Ca 0.08 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 1lqs h PRO 78 Cb 0.58 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1lqs h PRO 78 CO -0.33 0.40 -0.10 0.00 -0.21 0.00 0.00 178.00 177.76 1lqs h ALA 79 N 1.69 1.77 -0.89 -0.75 0.00 -0.67 -2.94 119.26 117.47 1lqs h ALA 79 Ca 0.60 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.41 1lqs h ALA 79 Cb 1.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1lqs h ALA 79 CO -0.44 0.17 0.59 0.78 0.00 0.00 0.00 179.25 180.34 1lqs h GLY 80 N 0.39 1.25 0.84 0.00 0.00 0.35 -2.28 103.07 103.63 1lqs h GLY 80 Ca 0.01 -0.46 0.13 0.00 0.00 0.00 0.00 47.33 47.00 1lqs h GLY 80 CO 0.01 0.45 0.46 -0.55 0.00 0.00 0.00 176.54 176.92 1lqs h ASP 81 N 1.20 0.37 1.31 0.19 3.32 -1.43 0.35 116.42 121.73 1lqs h ASP 81 Ca 0.33 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1lqs h ASP 81 Cb -0.13 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1lqs h ASP 81 CO -0.07 0.21 0.00 0.45 -1.72 0.00 0.00 179.24 178.10 1lqs h HIS 82 N 0.40 0.00 0.00 4.55 3.86 -1.55 -3.23 115.15 119.19 1lqs h HIS 82 Ca 0.33 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.33 1lqs h HIS 82 Cb 0.73 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.16 1lqs h HIS 82 CO -0.00 0.00 -1.78 1.55 0.86 0.00 0.00 177.93 178.56 1lqs n VAL 83 N -2.49 0.78 -3.43 2.45 3.14 0.13 -4.78 118.33 114.13 1lqs n VAL 83 Ca 0.04 -0.38 -0.27 0.00 -2.96 0.00 0.00 64.34 60.77 1lqs n VAL 83 Cb 0.38 -0.87 -0.08 0.00 -1.06 0.00 0.00 33.84 32.20 1lqs n VAL 83 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1lqs n TYR 84 N -2.69 2.91 -0.26 1.45 4.02 1.00 -4.95 117.16 118.64 1lqs n TYR 84 Ca -0.22 -4.07 0.02 0.00 -0.01 0.00 0.00 57.90 53.63 1lqs n TYR 84 Cb 0.81 -0.52 0.15 0.00 -0.02 0.00 0.00 39.34 39.76 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 4.30 0.63 0.00 -0.72 0.13 -1.76 -0.95 132.00 133.63 1lqs h PRO 85 Ca 0.18 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1lqs h PRO 85 Cb 0.71 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1lqs h PRO 85 CO 0.76 0.42 0.00 0.41 -0.23 0.00 0.00 178.00 179.36 1lqs n GLY 86 N -1.31 -0.52 0.19 1.56 0.00 -1.26 -2.68 105.19 101.17 1lqs n GLY 86 Ca 0.12 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1lqs n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lqs n LEU 87 N -0.89 1.59 -0.38 0.99 4.77 -0.36 -4.76 117.00 117.97 1lqs n LEU 87 Ca 0.10 -1.23 0.29 0.00 -0.03 0.00 0.00 56.01 55.14 1lqs n LEU 87 Cb 0.04 -0.02 0.58 0.00 -2.33 0.00 0.00 43.42 41.69 1lqs n LEU 87 CO 0.07 0.36 1.23 0.11 -1.33 0.00 0.00 177.39 177.83 1lqs h LYS 88 N 0.84 0.24 -0.06 3.23 1.57 -1.51 -0.05 116.57 120.82 1lqs h LYS 88 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1lqs h LYS 88 Cb 0.28 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1lqs h LYS 88 CO 0.00 0.16 0.03 1.15 -0.57 0.00 0.00 179.45 180.21 1lqs h THR 89 N 0.24 1.13 -0.25 -0.16 2.02 -1.86 0.37 112.91 114.40 1lqs h THR 89 Ca 0.69 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 67.43 1lqs h THR 89 Cb 2.00 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.68 1lqs h THR 89 CO -0.35 0.11 -0.08 -0.33 0.37 0.00 0.00 175.52 175.24 1lqs h GLU 90 N -0.05 0.49 -0.86 6.66 3.07 -1.49 -2.37 114.58 120.04 1lqs h GLU 90 Ca 0.02 -0.20 -0.03 0.00 -0.50 0.00 0.00 59.36 58.66 1lqs h GLU 90 Cb 0.15 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1lqs h GLU 90 CO -0.00 0.73 0.43 -0.07 -1.40 0.00 0.00 179.01 178.70 1lqs h LEU 91 N 0.23 1.10 -1.04 1.33 3.38 -0.98 -0.77 115.31 118.56 1lqs h LEU 91 Ca 0.06 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1lqs h LEU 91 Cb 0.56 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1lqs h LEU 91 CO 0.03 0.91 -0.28 0.45 0.09 0.00 0.00 178.44 179.65 1lqs h HIS 92 N 1.22 0.39 0.34 1.13 3.86 -0.20 -1.38 115.15 120.50 1lqs h HIS 92 Ca 0.30 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1lqs h HIS 92 Cb 0.08 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1lqs h HIS 92 CO 0.01 0.60 -0.16 1.03 0.86 0.00 0.00 177.93 180.27 1lqs h SER 93 N 0.31 -0.38 -0.23 2.45 0.87 -0.79 -1.39 113.55 114.38 1lqs h SER 93 Ca 0.05 -0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1lqs h SER 93 Cb 0.65 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 1lqs h SER 93 CO 0.05 -0.07 -0.03 0.24 -0.53 0.00 0.00 176.83 176.49 1lqs h MET 94 N -0.72 0.04 0.00 2.24 2.07 -1.09 0.19 114.93 117.66 1lqs h MET 94 Ca -0.05 -0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1lqs h MET 94 Cb 0.49 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.21 1lqs h MET 94 CO 0.08 0.02 -0.01 -0.09 1.07 0.00 0.00 176.91 177.98 1lqs h ARG 95 N 0.04 0.00 0.08 1.72 2.43 -1.24 0.16 114.38 117.56 1lqs h ARG 95 Ca 0.11 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.98 1lqs h ARG 95 Cb 0.15 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1lqs h ARG 95 CO -0.21 0.01 -1.58 1.03 -1.51 0.00 0.00 179.97 177.71 1lqs h SER 96 N 0.00 0.25 0.01 -3.80 0.87 0.41 -2.83 113.55 108.46 1lqs h SER 96 Ca -0.00 -0.40 -0.19 0.00 -1.23 0.00 0.00 61.79 59.97 1lqs h SER 96 Cb 0.04 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1lqs h SER 96 CO 0.00 1.34 -0.74 0.74 -0.53 0.00 0.00 176.83 177.64 1lqs h THR 97 N 0.04 1.39 -0.67 2.23 2.02 -0.15 -1.84 112.91 115.93 1lqs h THR 97 Ca -0.25 -2.15 0.07 0.00 0.77 0.00 0.00 66.41 64.85 1lqs h THR 97 Cb 1.99 2.56 -0.04 0.00 -1.74 0.00 0.00 68.15 70.92 1lqs h THR 97 CO 0.13 0.64 0.45 0.25 0.37 0.00 0.00 175.52 177.35 1lqs h LEU 98 N 0.03 0.56 -0.27 2.58 5.85 -0.85 -0.03 115.31 123.17 1lqs h LEU 98 Ca -0.09 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.49 1lqs h LEU 98 Cb 1.44 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1lqs h LEU 98 CO 0.15 0.35 -0.37 -0.08 -0.34 0.00 0.00 178.44 178.15 1lqs h GLU 99 N 0.63 0.74 -0.73 1.25 4.57 -1.44 -1.29 114.58 118.31 1lqs h GLU 99 Ca 0.30 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1lqs h GLU 99 Cb 0.35 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 1lqs h GLU 99 CO -0.10 1.05 0.48 1.03 -1.18 0.00 0.00 179.01 180.29 1lqs h SER 100 N 0.48 0.85 -0.65 1.04 0.87 -0.37 -2.55 113.55 113.23 1lqs h SER 100 Ca 0.03 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1lqs h SER 100 Cb 0.96 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 1lqs h SER 100 CO 0.09 0.63 0.34 0.40 -0.53 0.00 0.00 176.83 177.76 1lqs h ILE 101 N 1.00 1.21 0.57 2.23 2.04 -0.88 -2.90 117.51 120.77 1lqs h ILE 101 Ca 0.27 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1lqs h ILE 101 Cb -0.09 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1lqs h ILE 101 CO -0.06 0.23 -0.27 0.22 0.00 0.00 0.00 178.15 178.28 1lqs h TYR 102 N 0.89 -0.70 -0.81 1.37 3.20 -0.83 -1.74 116.97 118.34 1lqs h TYR 102 Ca 0.23 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.27 1lqs h TYR 102 Cb 0.06 0.23 -0.13 0.00 1.54 0.00 0.00 36.73 38.44 1lqs h TYR 102 CO -0.00 -0.44 0.21 0.87 -1.64 0.00 0.00 178.16 177.15 1lqs h LYS 103 N -0.83 0.24 -0.74 1.82 1.57 -1.60 0.66 116.57 117.68 1lqs h LYS 103 Ca -0.08 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1lqs h LYS 103 Cb 0.58 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.78 1lqs h LYS 103 CO 0.13 0.16 0.44 0.22 -0.57 0.00 0.00 179.45 179.82 1lqs h ASP 104 N 0.25 0.67 0.58 0.86 -0.00 -1.45 -1.36 116.42 115.97 1lqs h ASP 104 Ca 0.48 0.02 -0.00 0.00 -0.00 0.00 0.00 57.03 57.53 1lqs h ASP 104 Cb 0.89 -0.12 -0.00 0.00 -0.00 0.00 0.00 39.33 40.11 1lqs h ASP 104 CO -0.58 0.44 -0.01 0.24 -0.00 0.00 0.00 179.24 179.33 1lqs h MET 105 N 0.81 0.00 0.01 0.28 2.86 0.07 -2.73 114.93 116.22 1lqs h MET 105 Ca 0.32 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.70 1lqs h MET 105 Cb 0.16 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.84 1lqs h MET 105 CO -0.17 0.01 -1.04 0.00 1.06 0.00 0.00 176.91 176.76 1lqs h ARG 106 N 0.00 0.65 -0.18 1.72 3.08 -0.86 -3.00 114.38 115.79 1lqs h ARG 106 Ca -0.00 -0.71 0.05 0.00 0.07 0.00 0.00 59.98 59.39 1lqs h ARG 106 Cb 0.30 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1lqs h ARG 106 CO 0.00 1.30 0.36 1.96 -1.07 0.00 0.00 179.97 182.52 1lqs h GLN 107 N 0.36 0.00 -4.42 0.04 7.50 -1.37 -3.36 115.11 113.86 1lqs h GLN 107 Ca -0.13 0.00 -0.72 0.00 0.50 0.00 0.00 58.65 58.30 1lqs h GLN 107 Cb 1.69 0.00 -0.25 0.00 0.05 0.00 0.00 27.48 28.97 1lqs h GLN 107 CO 0.20 0.00 -0.43 0.00 -1.50 0.00 0.00 178.83 177.10 1lqs h PRO 109 N 8.54 -0.05 0.00 0.00 0.11 -1.82 -1.87 132.00 136.90 1lqs h PRO 109 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1lqs h PRO 109 Cb 1.10 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1lqs h PRO 109 CO 0.78 -0.03 0.12 -0.11 -0.21 0.00 0.00 178.00 178.55 1lqs n LEU 110 N -5.27 0.40 0.03 2.35 7.94 -1.26 -0.93 117.00 120.26 1lqs n LEU 110 Ca -0.01 0.64 0.12 0.00 -1.11 0.00 0.00 56.01 55.65 1lqs n LEU 110 Cb 0.19 -0.66 0.11 0.00 0.53 0.00 0.00 43.42 43.59 1lqs n LEU 110 CO 0.19 -0.78 0.20 0.18 -1.11 0.00 0.00 177.39 176.08 1lqs n LEU 111 N -2.07 0.63 0.00 -1.96 4.77 -0.70 -4.93 117.00 112.74 1lqs n LEU 111 Ca -0.01 0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 55.98 1lqs n LEU 111 Cb 0.14 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1lqs n LEU 111 CO 0.07 0.04 0.03 0.61 -1.33 0.00 0.00 177.39 176.81 1lqs n GLY 112 N 1.40 2.16 3.71 -0.72 0.00 -0.11 -4.89 105.19 106.74 1lqs n GLY 112 Ca 0.03 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 1lqs n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqs n GLY 116 N 3.28 4.87 0.00 0.00 0.00 -1.26 -4.18 105.19 107.90 1lqs n GLY 116 Ca 0.09 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1lqs n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lqs n ASP 117 N 3.24 0.16 0.01 1.61 5.75 -1.26 -4.80 116.55 121.26 1lqs n ASP 117 Ca 0.51 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1lqs n ASP 117 Cb 0.31 0.22 -0.10 0.00 -1.03 0.00 0.00 41.12 40.53 1lqs n ASP 117 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1lqs n LYS 118 N -0.22 0.63 -0.09 0.11 0.00 -1.26 -4.20 118.16 113.13 1lqs n LYS 118 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 58.31 58.34 1lqs n LYS 118 Cb 0.06 -1.73 -0.03 0.00 0.00 0.00 0.00 35.03 33.33 1lqs n LYS 118 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1lqs h SER 119 N 0.00 0.40 -0.67 3.14 4.64 -1.89 -1.50 113.55 117.67 1lqs h SER 119 Ca -0.19 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 60.88 1lqs h SER 119 Cb 1.58 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.54 1lqs h SER 119 CO 0.04 0.50 0.26 0.58 -0.87 0.00 0.00 176.83 177.34 1lqs h VAL 120 N 0.27 1.24 -0.10 0.95 2.07 -1.90 -1.82 116.25 116.96 1lqs h VAL 120 Ca 0.09 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1lqs h VAL 120 Cb 0.25 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1lqs h VAL 120 CO -0.00 0.30 -0.15 0.40 0.02 0.00 0.00 177.57 178.14 1lqs h ILE 121 N 0.95 1.17 0.64 4.57 2.04 -1.70 -2.32 117.51 122.85 1lqs h ILE 121 Ca 0.22 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1lqs h ILE 121 Cb 0.22 1.27 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1lqs h ILE 121 CO -0.02 0.23 -0.31 0.28 0.00 0.00 0.00 178.15 178.33 1lqs h SER 122 N 0.15 -0.73 -0.21 1.72 0.02 -0.48 -1.84 113.55 112.18 1lqs h SER 122 Ca 0.03 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1lqs h SER 122 Cb 0.37 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 1lqs h SER 122 CO 0.02 -0.42 -0.36 -0.09 -1.14 0.00 0.00 176.83 174.84 1lqs h ARG 123 N -1.03 -0.37 -0.14 3.45 2.43 -1.19 0.31 114.38 117.83 1lqs h ARG 123 Ca -0.09 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1lqs h ARG 123 Cb 0.70 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.28 1lqs h ARG 123 CO 0.15 -0.25 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.05 1lqs h LEU 124 N -0.39 -0.74 -0.23 3.80 3.38 -1.44 0.25 115.31 119.94 1lqs h LEU 124 Ca 0.11 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1lqs h LEU 124 Cb 0.57 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1lqs h LEU 124 CO -0.42 -0.29 0.13 -1.28 0.09 0.00 0.00 178.44 176.68 1lqs h SER 125 N -0.29 0.22 0.60 -0.43 0.87 -0.98 -0.52 113.55 113.01 1lqs h SER 125 Ca 0.10 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1lqs h SER 125 Cb 0.45 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1lqs h SER 125 CO -0.31 0.16 -0.43 1.56 -0.53 0.00 0.00 176.83 177.28 1lqs h GLN 126 N 0.28 -0.94 -0.84 2.24 4.20 0.19 -0.23 115.11 120.00 1lqs h GLN 126 Ca 0.09 0.06 0.21 0.00 0.06 0.00 0.00 58.65 59.08 1lqs h GLN 126 Cb -0.00 0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 1lqs h GLN 126 CO -0.04 -0.63 0.58 0.93 -0.67 0.00 0.00 178.83 178.99 1lqs h GLU 127 N -0.98 0.23 0.00 1.46 5.08 -0.44 0.43 114.58 120.36 1lqs h GLU 127 Ca -0.08 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1lqs h GLU 127 Cb 0.81 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1lqs h GLU 127 CO 0.04 0.15 -0.43 0.00 -1.00 0.00 0.00 179.01 177.77 1lqs h ALA 128 N 1.61 0.86 0.00 3.43 0.00 -0.59 -3.18 119.26 121.39 1lqs h ALA 128 Ca 0.42 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1lqs h ALA 128 Cb 1.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1lqs h ALA 128 CO -0.10 0.54 -0.83 1.49 0.00 0.00 0.00 179.25 180.35 1lqs h GLU 129 N 0.00 0.00 -0.83 0.00 4.57 0.16 -2.41 114.58 116.08 1lqs h GLU 129 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1lqs h GLU 129 Cb 1.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1lqs h GLU 129 CO 0.06 0.58 0.00 0.54 -1.18 0.00 0.00 179.01 179.00 1lqs n ARG 130 N -3.19 0.85 -4.19 1.92 1.74 -0.74 -4.70 116.66 108.34 1lqs n ARG 130 Ca -0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 1lqs n ARG 130 Cb 0.81 -1.41 -0.09 0.00 -1.02 0.00 0.00 32.46 30.75 1lqs n ARG 130 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1lqs s LYS 131 N -1.02 2.30 0.11 5.56 -0.14 -1.24 -5.02 119.74 120.29 1lqs s LYS 131 Ca 0.00 -0.99 0.15 0.00 -1.36 0.00 0.00 55.97 53.77 1lqs s LYS 131 Cb 0.00 -2.38 0.67 0.00 -1.68 0.00 0.00 37.83 34.44 1lqs s LYS 131 CO 0.00 0.51 1.47 -1.13 -0.76 0.00 0.00 175.35 175.43 1lqs n SER 132 N 0.49 0.26 -0.02 2.83 3.41 -1.26 -2.41 113.62 116.91 1lqs n SER 132 Ca -0.12 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1lqs n SER 132 Cb 0.53 -0.63 0.01 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.80 1.21 -0.55 4.04 5.75 -1.26 -5.00 116.55 118.94 1lqs n ASP 133 Ca 0.02 -1.66 -0.06 0.00 -0.01 0.00 0.00 54.79 53.07 1lqs n ASP 133 Cb 0.14 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 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 -0.33 -3.40 0.00 -1.12 3.02 -1.01 -3.55 115.26 108.86 1lqs n ASN 134 Ca 0.01 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1lqs n ASN 134 Cb 0.37 -1.82 0.00 0.00 -0.61 0.00 0.00 39.78 37.73 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 -1.88 0.75 0.11 7.41 0.00 -0.91 -4.49 105.19 106.18 1lqs n GLY 135 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 0.82 0.81 2.61 2.02 -1.89 0.81 112.91 118.09 1lqs h THR 136 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1lqs h THR 136 Cb 0.00 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1lqs h THR 136 CO 0.00 0.01 -0.43 -0.09 0.37 0.00 0.00 175.52 175.38 1lqs h ARG 137 N 0.05 -1.09 -0.82 6.66 2.43 -1.92 -1.42 114.38 118.27 1lqs h ARG 137 Ca 0.11 0.07 0.20 0.00 -0.81 0.00 0.00 59.98 59.55 1lqs h ARG 137 Cb 0.15 0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 1lqs h ARG 137 CO -0.20 -0.73 0.56 0.87 -1.51 0.00 0.00 179.97 178.96 1lqs h LYS 138 N -1.13 0.27 0.01 0.20 1.79 -1.93 -2.34 116.57 113.44 1lqs h LYS 138 Ca -0.11 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1lqs h LYS 138 Cb 0.88 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1lqs h LYS 138 CO 0.16 0.18 -0.00 0.78 -1.08 0.00 0.00 179.45 179.49 1lqs h GLY 139 N 0.28 -0.01 2.00 3.86 0.00 0.12 -2.90 103.07 106.42 1lqs h GLY 139 Ca 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.68 1lqs h GLY 139 CO -0.11 -0.00 -0.32 1.41 0.00 0.00 0.00 176.54 177.52 1lqs h LEU 140 N -0.24 0.00 -0.09 3.11 -0.00 -0.79 -3.00 115.31 114.30 1lqs h LEU 140 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1lqs h LEU 140 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1lqs h LEU 140 CO 0.00 0.32 0.00 -1.54 -0.00 0.00 0.00 178.44 177.22 1lqs n SER 141 N -3.42 0.76 -1.12 -0.43 3.41 -0.92 -2.78 113.62 109.11 1lqs n SER 141 Ca 0.00 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 1lqs n SER 141 Cb 0.51 -0.78 0.24 0.00 -0.26 0.00 0.00 64.21 63.91 1lqs n SER 141 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lqs n GLU 142 N -2.23 2.55 -0.29 4.33 1.02 -1.10 -4.54 120.64 120.38 1lqs n GLU 142 Ca 0.05 -2.35 0.10 0.00 -0.02 0.00 0.00 57.16 54.94 1lqs n GLU 142 Cb 0.40 -1.49 0.26 0.00 -0.02 0.00 0.00 31.44 30.59 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 3.95 0.31 -0.14 -4.62 3.38 -1.53 0.32 115.31 116.98 1lqs h LEU 143 Ca 0.00 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1lqs h LEU 143 Cb 0.93 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1lqs h LEU 143 CO 0.00 0.05 -0.05 -2.24 0.09 0.00 0.00 178.44 176.29 1lqs h ASP 144 N 0.43 -0.17 -0.66 -0.43 2.03 -1.84 -0.04 116.42 115.74 1lqs h ASP 144 Ca 0.50 0.05 0.06 0.00 -0.73 0.00 0.00 57.03 56.91 1lqs h ASP 144 Cb 0.88 0.10 -0.06 0.00 -0.83 0.00 0.00 39.33 39.43 1lqs h ASP 144 CO -0.48 -0.07 0.35 0.74 -1.03 0.00 0.00 179.24 178.76 1lqs h THR 145 N -0.02 0.94 0.01 1.15 2.02 -0.84 -1.66 112.91 114.51 1lqs h THR 145 Ca 0.07 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 67.05 1lqs h THR 145 Cb 0.13 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1lqs h THR 145 CO -0.16 0.12 -0.12 0.25 0.37 0.00 0.00 175.52 175.98 1lqs h LEU 146 N 0.65 -0.35 -1.50 2.58 5.85 0.09 -0.42 115.31 122.21 1lqs h LEU 146 Ca 0.30 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.14 1lqs h LEU 146 Cb 0.21 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1lqs h LEU 146 CO -0.20 -0.17 0.42 -0.26 -0.34 0.00 0.00 178.44 177.89 1lqs h PHE 147 N -0.21 0.61 -0.23 1.25 0.04 -0.52 0.23 116.94 118.11 1lqs h PHE 147 Ca 0.04 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.63 1lqs h PHE 147 Cb 0.26 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1lqs h PHE 147 CO -0.18 0.32 -0.62 0.77 -0.60 0.00 0.00 178.31 178.01 1lqs h SER 148 N 0.60 0.94 -0.67 2.17 0.02 -0.69 -1.20 113.55 114.72 1lqs h SER 148 Ca 0.28 -0.57 -0.05 0.00 -0.84 0.00 0.00 61.79 60.60 1lqs h SER 148 Cb 0.32 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1lqs h SER 148 CO -0.08 1.35 0.22 0.03 -1.14 0.00 0.00 176.83 177.20 1lqs h ARG 149 N 0.59 1.06 0.19 3.45 2.47 0.13 0.12 114.38 122.39 1lqs h ARG 149 Ca -0.01 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1lqs h ARG 149 Cb 1.24 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1lqs h ARG 149 CO 0.13 0.90 -0.09 1.25 0.56 0.00 0.00 179.97 182.72 1lqs h LEU 150 N 1.02 -0.22 -0.66 3.04 5.85 -0.53 0.36 115.31 124.17 1lqs h LEU 150 Ca 0.22 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1lqs h LEU 150 Cb 0.29 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1lqs h LEU 150 CO -0.01 -0.02 0.44 -0.08 -0.34 0.00 0.00 178.44 178.43 1lqs h GLU 151 N -0.41 0.86 -0.56 1.25 4.81 -0.94 0.07 114.58 119.66 1lqs h GLU 151 Ca -0.03 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1lqs h GLU 151 Cb 0.32 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1lqs h GLU 151 CO 0.04 0.57 0.09 1.49 -0.73 0.00 0.00 179.01 180.47 1lqs h GLU 152 N 0.89 0.89 -0.84 1.92 4.81 -0.62 -2.73 114.58 118.90 1lqs h GLU 152 Ca 0.24 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1lqs h GLU 152 Cb -0.10 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 1lqs h GLU 152 CO -0.06 0.83 0.42 -0.92 -0.73 0.00 0.00 179.01 178.56 1lqs h TYR 153 N 0.85 1.20 -0.39 0.92 3.20 0.69 -2.64 116.97 120.80 1lqs h TYR 153 Ca 0.18 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 1lqs h TYR 153 Cb 0.37 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1lqs h TYR 153 CO 0.02 0.86 -0.22 -0.07 -1.64 0.00 0.00 178.16 177.11 1lqs h LEU 154 N 1.19 0.78 -0.02 2.82 3.38 -0.73 -2.87 115.31 119.87 1lqs h LEU 154 Ca 0.29 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1lqs h LEU 154 Cb 0.09 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1lqs h LEU 154 CO -0.04 0.98 0.00 1.41 0.09 0.00 0.00 178.44 180.88 1lqs n HIS 155 N -4.11 0.08 0.10 1.13 8.25 -1.07 -3.03 115.22 116.56 1lqs n HIS 155 Ca 0.00 0.03 0.10 0.00 -0.26 0.00 0.00 57.72 57.59 1lqs n HIS 155 Cb 0.43 -0.54 -0.01 0.00 1.12 0.00 0.00 29.99 30.99 1lqs n HIS 155 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1lqs n SER 156 N -1.57 0.84 -0.03 0.41 3.41 -1.01 -5.12 113.62 110.55 1lqs n SER 156 Ca 0.06 0.33 0.16 0.00 -0.26 0.00 0.00 58.87 59.16 1lqs n SER 156 Cb 0.30 0.44 0.92 0.00 -0.26 0.00 0.00 64.21 65.62 1lqs n SER 156 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42