#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqj n ALA 2 N 0.00 0.43 0.00 3.04 0.00 -1.26 -4.80 120.51 117.92 1lqj n ALA 2 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1lqj n ALA 2 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1lqj n ALA 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1lqj n ASN 3 N 3.65 0.00 -4.24 0.00 4.13 -1.26 -2.60 115.26 114.94 1lqj n ASN 3 Ca 0.01 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.84 1lqj n ASN 3 Cb 0.01 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.18 1lqj n ASN 3 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1lqj s GLU 4 N 0.00 2.76 1.41 3.52 2.12 -1.26 -5.01 118.70 122.24 1lqj s GLU 4 Ca 0.00 -1.91 -0.23 0.00 0.36 0.00 0.00 54.97 53.19 1lqj s GLU 4 Cb 0.00 -4.07 0.36 0.00 0.26 0.00 0.00 34.13 30.68 1lqj s GLU 4 CO 0.00 -1.24 0.96 -0.51 -0.54 0.00 0.00 175.26 173.93 1lqj s LEU 5 N 1.15 -0.93 0.05 2.70 1.43 -1.07 -4.72 118.68 117.29 1lqj s LEU 5 Ca 0.08 0.73 0.07 0.00 -1.03 0.00 0.00 54.13 53.97 1lqj s LEU 5 Cb -0.25 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1lqj s LEU 5 CO -0.01 -5.26 -0.16 0.42 0.23 0.00 0.00 176.35 171.57 1lqj s THR 6 N -2.42 2.93 0.50 5.49 -4.23 -1.26 -3.81 115.64 112.84 1lqj s THR 6 Ca 0.69 -1.19 0.43 0.00 -1.18 0.00 0.00 61.69 60.45 1lqj s THR 6 Cb -0.11 -2.27 0.65 0.00 1.34 0.00 0.00 72.50 72.11 1lqj s THR 6 CO 0.57 0.30 1.48 0.79 -0.54 0.00 0.00 174.62 177.22 1lqj n TRP 7 N 1.39 0.18 -0.15 3.99 5.03 -1.26 -0.36 117.44 126.27 1lqj n TRP 7 Ca -0.16 0.18 -0.08 0.00 3.03 0.00 0.00 57.50 60.48 1lqj n TRP 7 Cb 0.52 -0.65 0.01 0.00 -1.03 0.00 0.00 31.31 30.17 1lqj n TRP 7 CO 0.00 0.00 0.00 1.25 -0.03 0.00 0.00 177.69 178.91 1lqj h HIS 8 N 0.00 0.57 0.00 -5.99 2.76 -1.94 0.45 115.15 111.00 1lqj h HIS 8 Ca 0.88 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 59.04 1lqj h HIS 8 Cb 3.36 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 32.12 1lqj h HIS 8 CO -0.00 0.37 -0.13 -0.44 -1.30 0.00 0.00 177.93 176.43 1lqj h ASP 9 N 0.61 0.00 0.23 3.26 5.19 -1.10 0.42 116.42 125.04 1lqj h ASP 9 Ca 0.17 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.47 1lqj h ASP 9 Cb -0.06 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 1lqj h ASP 9 CO -0.04 0.13 -1.87 1.33 -3.12 0.00 0.00 179.24 175.67 1lqj n VAL 10 N -4.09 0.58 -2.10 -1.35 0.24 -0.97 -4.37 118.33 106.26 1lqj n VAL 10 Ca -0.02 -0.62 -0.23 0.00 -2.04 0.00 0.00 64.34 61.43 1lqj n VAL 10 Cb 0.21 -0.26 0.02 0.00 -1.47 0.00 0.00 33.84 32.34 1lqj n VAL 10 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1lqj n LEU 11 N -2.52 4.73 0.04 1.34 4.77 0.15 -4.65 117.00 120.85 1lqj n LEU 11 Ca -0.11 -4.70 0.12 0.00 -0.03 0.00 0.00 56.01 51.29 1lqj n LEU 11 Cb 0.74 -0.31 0.08 0.00 -2.33 0.00 0.00 43.42 41.61 1lqj n LEU 11 CO 0.44 2.06 0.13 0.00 -1.33 0.00 0.00 177.39 178.69 1lqj n ALA 12 N -0.68 3.22 -0.06 -1.18 0.00 0.15 -3.77 120.51 118.19 1lqj n ALA 12 Ca 0.42 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1lqj n ALA 12 Cb 0.93 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 1lqj n ALA 12 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1lqj n GLU 13 N -2.02 0.31 0.05 0.00 1.02 -1.26 -4.40 120.64 114.34 1lqj n GLU 13 Ca 0.02 0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 57.11 1lqj n GLU 13 Cb 0.44 -1.25 -0.06 0.00 -0.02 0.00 0.00 31.44 30.54 1lqj n GLU 13 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1lqj h GLU 14 N 0.00 -0.53 -0.34 3.49 4.39 -1.83 0.79 114.58 120.55 1lqj h GLU 14 Ca -0.28 0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.56 1lqj h GLU 14 Cb 1.43 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.19 1lqj h GLU 14 CO -0.04 -0.35 0.40 0.87 -1.16 0.00 0.00 179.01 178.73 1lqj h LYS 15 N -0.55 0.00 -0.20 2.33 1.57 -1.82 0.29 116.57 118.20 1lqj h LYS 15 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1lqj h LYS 15 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1lqj h LYS 15 CO -0.33 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.59 1lqj n GLN 16 N -3.64 1.81 -2.98 3.15 3.00 0.27 -4.64 117.38 114.35 1lqj n GLN 16 Ca 0.06 -1.22 -0.28 0.00 -0.01 0.00 0.00 57.00 55.55 1lqj n GLN 16 Cb 0.56 -1.40 -0.02 0.00 0.00 0.00 0.00 30.24 29.38 1lqj n GLN 16 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1lqj s GLN 17 N -1.75 3.64 0.11 -1.09 -1.52 0.10 -4.97 119.66 114.18 1lqj s GLN 17 Ca 0.32 0.18 -0.29 0.00 -1.95 0.00 0.00 55.36 53.62 1lqj s GLN 17 Cb 0.18 -2.49 -0.10 0.00 -0.22 0.00 0.00 33.01 30.38 1lqj s GLN 17 CO 0.26 0.00 1.48 -1.35 -0.25 0.00 0.00 175.29 175.43 1lqj h PRO 18 N 1.02 -0.35 -0.92 2.91 0.11 -1.92 -2.39 132.00 130.46 1lqj h PRO 18 Ca -0.47 0.02 0.23 0.00 0.11 0.00 0.00 66.00 65.89 1lqj h PRO 18 Cb 1.20 0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.26 1lqj h PRO 18 CO 0.64 -0.23 0.44 0.10 -0.21 0.00 0.00 178.00 178.73 1lqj h TYR 19 N -0.37 0.73 0.00 0.65 -0.00 -1.95 0.53 116.97 116.57 1lqj h TYR 19 Ca 0.06 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.83 1lqj h TYR 19 Cb 0.53 -0.18 0.00 0.00 -0.00 0.00 0.00 36.73 37.08 1lqj h TYR 19 CO -0.70 -0.03 0.00 0.34 -0.00 0.00 0.00 178.16 177.77 1lqj n PHE 20 N -5.02 0.00 -0.08 0.10 7.35 -0.93 -3.23 117.46 115.65 1lqj n PHE 20 Ca 0.23 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.86 1lqj n PHE 20 Cb 0.69 -0.08 -0.14 0.00 0.35 0.00 0.00 39.48 40.30 1lqj n PHE 20 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1lqj n LEU 21 N -1.08 0.00 0.00 -2.13 4.77 0.18 -4.25 117.00 114.50 1lqj n LEU 21 Ca 0.20 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 56.00 1lqj n LEU 21 Cb 0.14 0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1lqj n LEU 21 CO 0.18 0.38 0.23 -1.13 -1.33 0.00 0.00 177.39 175.72 1lqj h ASN 22 N 0.00 0.72 -0.95 -1.43 -0.00 -1.38 -0.53 115.58 112.01 1lqj h ASN 22 Ca -0.42 -0.71 0.19 0.00 -0.00 0.00 0.00 56.30 55.36 1lqj h ASN 22 Cb 1.93 -0.22 -0.11 0.00 -0.00 0.00 0.00 38.32 39.93 1lqj h ASN 22 CO 0.02 1.32 0.53 0.74 -0.00 0.00 0.00 177.43 180.05 1lqj h THR 23 N 0.17 0.65 0.00 -3.57 2.02 -1.73 1.64 112.91 112.09 1lqj h THR 23 Ca -0.08 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 1lqj h THR 23 Cb 1.40 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1lqj h THR 23 CO 0.15 0.12 -0.73 -0.07 0.37 0.00 0.00 175.52 175.35 1lqj h LEU 24 N 0.65 0.00 -0.05 2.58 4.07 -1.72 -1.65 115.31 119.18 1lqj h LEU 24 Ca 0.55 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.44 1lqj h LEU 24 Cb 0.90 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 1lqj h LEU 24 CO -0.41 0.17 -0.36 -0.61 -1.08 0.00 0.00 178.44 176.15 1lqj h GLN 25 N 0.00 0.00 0.00 1.13 5.75 0.14 -2.38 115.11 119.75 1lqj h GLN 25 Ca -0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1lqj h GLN 25 Cb 1.15 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1lqj h GLN 25 CO 0.02 0.36 -0.04 1.15 -2.65 0.00 0.00 178.83 177.66 1lqj h THR 26 N 0.00 0.00 -1.13 2.39 2.02 0.22 0.45 112.91 116.87 1lqj h THR 26 Ca -0.00 -0.49 0.32 0.00 0.77 0.00 0.00 66.41 67.01 1lqj h THR 26 Cb 1.26 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.56 1lqj h THR 26 CO 0.05 0.00 0.72 0.58 0.37 0.00 0.00 175.52 177.24 1lqj h VAL 27 N -0.49 0.39 -0.18 3.16 2.07 -1.43 4.00 116.25 123.76 1lqj h VAL 27 Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1lqj h VAL 27 Cb 0.04 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1lqj h VAL 27 CO 0.00 0.05 0.05 0.00 0.02 0.00 0.00 177.57 177.69 1lqj h ALA 28 N 1.62 0.23 -1.00 1.67 0.00 -1.49 0.33 119.26 120.63 1lqj h ALA 28 Ca 0.67 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.55 1lqj h ALA 28 Cb 1.86 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.50 1lqj h ALA 28 CO -0.34 -0.14 0.63 0.77 0.00 0.00 0.00 179.25 180.17 1lqj h SER 29 N 0.11 0.96 0.47 0.00 0.02 0.98 -0.90 113.55 115.18 1lqj h SER 29 Ca 0.06 0.04 -0.23 0.00 -0.84 0.00 0.00 61.79 60.82 1lqj h SER 29 Cb 0.24 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1lqj h SER 29 CO -0.00 0.54 -0.99 -0.33 -1.14 0.00 0.00 176.83 174.91 1lqj h GLU 30 N 1.05 0.32 -0.59 3.45 5.08 0.18 -2.60 114.58 121.46 1lqj h GLU 30 Ca 0.48 -0.38 0.12 0.00 -1.00 0.00 0.00 59.36 58.58 1lqj h GLU 30 Cb 0.39 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.66 1lqj h GLU 30 CO -0.24 1.09 0.01 0.00 -1.00 0.00 0.00 179.01 178.87 1lqj h ARG 31 N 0.16 0.13 0.00 2.33 3.08 0.11 0.65 114.38 120.84 1lqj h ARG 31 Ca -0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1lqj h ARG 31 Cb 1.64 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.66 1lqj h ARG 31 CO 0.16 0.08 -0.33 0.37 -1.07 0.00 0.00 179.97 179.19 1lqj h GLN 32 N 0.13 0.00 -0.60 0.04 5.75 -1.57 -1.64 115.11 117.21 1lqj h GLN 32 Ca 0.31 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 1lqj h GLN 32 Cb 0.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1lqj h GLN 32 CO -0.50 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 174.55 1lqj n SER 33 N -2.69 0.60 -1.31 -0.69 3.41 0.21 -4.73 113.62 108.42 1lqj n SER 33 Ca 0.03 -1.44 -0.12 0.00 -0.26 0.00 0.00 58.87 57.08 1lqj n SER 33 Cb 0.50 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 1lqj n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqj n GLY 34 N 0.15 -0.00 3.55 5.00 0.00 -0.51 -4.99 105.19 108.38 1lqj n GLY 34 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1lqj n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lqj s VAL 35 N -2.58 4.92 -0.57 1.61 1.01 -0.04 -4.97 120.40 119.78 1lqj s VAL 35 Ca 0.00 0.36 -0.26 0.00 0.00 0.00 0.00 61.98 62.08 1lqj s VAL 35 Cb 0.00 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1lqj s VAL 35 CO 0.00 -0.36 2.20 -0.89 0.00 0.00 0.00 175.10 176.04 1lqj s THR 36 N 2.63 3.15 0.05 3.92 2.01 -1.26 -4.35 115.64 121.78 1lqj s THR 36 Ca 0.22 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.28 1lqj s THR 36 Cb -0.15 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1lqj s THR 36 CO 0.15 -0.37 0.14 -0.63 -0.69 0.00 0.00 174.62 173.22 1lqj s ILE 37 N 11.20 4.98 0.09 1.82 1.01 -1.26 -0.79 121.20 138.25 1lqj s ILE 37 Ca 0.85 -0.51 0.10 0.00 0.00 0.00 0.00 60.65 61.09 1lqj s ILE 37 Cb -0.15 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1lqj s ILE 37 CO 0.22 0.18 -0.27 -0.31 0.00 0.00 0.00 174.94 174.76 1lqj s TYR 38 N -1.40 2.30 0.40 3.97 2.02 0.15 -4.56 117.35 120.23 1lqj s TYR 38 Ca 0.30 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.66 1lqj s TYR 38 Cb -0.13 -1.31 0.00 0.00 -0.40 0.00 0.00 41.96 40.13 1lqj s TYR 38 CO 0.23 0.23 0.57 -1.25 -1.57 0.00 0.00 175.55 173.76 1lqj s PRO 39 N -1.66 2.97 0.26 -1.71 0.04 -1.26 -0.13 135.00 133.52 1lqj s PRO 39 Ca 0.13 -0.94 -0.19 0.00 0.04 0.00 0.00 61.00 60.04 1lqj s PRO 39 Cb -0.10 -2.72 -0.13 0.00 0.04 0.00 0.00 34.50 31.60 1lqj s PRO 39 CO 0.04 -0.18 0.19 -2.30 0.04 0.00 0.00 177.00 174.80 1lqj n PRO 40 N -1.86 0.00 -0.01 0.56 -0.02 -1.26 -4.51 135.00 127.90 1lqj n PRO 40 Ca 0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.38 1lqj n PRO 40 Cb 0.58 -0.80 -0.07 0.00 -0.02 0.00 0.00 33.50 33.20 1lqj n PRO 40 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1lqj h GLN 41 N 0.45 -0.49 -0.19 -0.52 4.20 -2.00 -1.48 115.11 115.09 1lqj h GLN 41 Ca -0.27 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.53 1lqj h GLN 41 Cb 1.15 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1lqj h GLN 41 CO 0.40 -0.33 0.32 1.57 -0.67 0.00 0.00 178.83 180.12 1lqj h LYS 42 N -0.51 0.00 0.00 1.46 2.10 -2.02 -3.06 116.57 114.54 1lqj h LYS 42 Ca 0.07 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1lqj h LYS 42 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1lqj h LYS 42 CO -0.41 0.00 -0.00 -0.44 -2.00 0.00 0.00 179.45 176.60 1lqj h ASP 43 N 0.00 -0.00 0.00 7.07 3.32 -1.59 -3.42 116.42 121.79 1lqj h ASP 43 Ca 0.09 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 56.26 1lqj h ASP 43 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1lqj h ASP 43 CO -0.00 0.92 0.00 0.52 -1.72 0.00 0.00 179.24 178.96 1lqj n VAL 44 N -4.64 0.00 -2.09 -1.35 0.31 -1.05 0.19 118.33 109.69 1lqj n VAL 44 Ca -0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.87 1lqj n VAL 44 Cb 0.43 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.39 1lqj n VAL 44 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1lqj n PHE 45 N -3.51 3.08 0.11 3.52 0.99 -1.26 -4.64 117.46 115.75 1lqj n PHE 45 Ca 0.00 -2.53 -0.04 0.00 -0.00 0.00 0.00 57.45 54.88 1lqj n PHE 45 Cb 0.00 -0.93 0.12 0.00 -1.00 0.00 0.00 39.48 37.66 1lqj n PHE 45 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1lqj h ASN 46 N 2.96 0.10 0.75 4.37 4.21 0.19 -3.06 115.58 125.11 1lqj h ASN 46 Ca 0.50 -0.07 -0.03 0.00 1.21 0.00 0.00 56.30 57.91 1lqj h ASN 46 Cb 0.24 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.40 1lqj h ASN 46 CO 1.29 0.74 -0.48 0.00 -1.29 0.00 0.00 177.43 177.70 1lqj h ALA 47 N 1.26 -1.26 -0.45 -0.83 0.00 -1.73 -2.38 119.26 113.88 1lqj h ALA 47 Ca -0.01 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.79 1lqj h ALA 47 Cb 1.19 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1lqj h ALA 47 CO 0.09 -1.22 0.54 0.74 0.00 0.00 0.00 179.25 179.41 1lqj h PHE 48 N -1.15 0.00 0.38 0.00 0.04 -1.79 -2.76 116.94 111.66 1lqj h PHE 48 Ca -0.10 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 1lqj h PHE 48 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1lqj h PHE 48 CO -0.11 0.00 -0.18 0.00 -0.60 0.00 0.00 178.31 177.42 1lqj h ARG 49 N 0.00 -0.49 0.00 1.51 3.08 -1.32 -3.33 114.38 113.83 1lqj h ARG 49 Ca 0.21 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 1lqj h ARG 49 Cb 1.30 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.46 1lqj h ARG 49 CO -0.00 -0.33 -0.01 0.74 -1.07 0.00 0.00 179.97 179.30 1lqj h PHE 50 N -0.93 0.00 -3.35 3.04 0.04 -1.37 -3.41 116.94 110.97 1lqj h PHE 50 Ca -0.05 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.15 1lqj h PHE 50 Cb 0.39 0.00 -0.34 0.00 2.20 0.00 0.00 35.95 38.20 1lqj h PHE 50 CO 0.02 0.01 -0.83 0.99 -0.60 0.00 0.00 178.31 177.90 1lqj s THR 51 N -4.86 1.42 0.47 -1.55 2.01 -1.10 -4.54 115.64 107.49 1lqj s THR 51 Ca -0.05 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1lqj s THR 51 Cb 0.16 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.39 1lqj s THR 51 CO 0.62 0.42 0.69 -1.61 -0.69 0.00 0.00 174.62 174.05 1lqj s GLU 52 N 0.74 2.95 0.05 4.92 0.41 -1.26 -4.55 118.70 121.96 1lqj s GLU 52 Ca -0.12 -0.57 -0.16 0.00 -0.41 0.00 0.00 54.97 53.71 1lqj s GLU 52 Cb -0.16 -2.55 -0.06 0.00 -1.78 0.00 0.00 34.13 29.58 1lqj s GLU 52 CO 0.03 -0.36 1.25 1.25 -0.49 0.00 0.00 175.26 176.94 1lqj h LEU 53 N 0.34 -0.75 0.00 1.80 6.46 -1.91 0.74 115.31 121.99 1lqj h LEU 53 Ca -0.45 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1lqj h LEU 53 Cb 1.26 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.47 1lqj h LEU 53 CO 0.56 -0.24 0.00 0.61 -0.62 0.00 0.00 178.44 178.75 1lqj n GLY 54 N -1.21 0.00 0.37 3.75 0.00 -1.25 -1.03 105.19 105.82 1lqj n GLY 54 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1lqj n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lqj n ASP 55 N -0.71 1.69 -4.72 1.61 8.00 0.24 -5.00 116.55 117.66 1lqj n ASP 55 Ca 0.00 -1.34 -0.42 0.00 0.71 0.00 0.00 54.79 53.74 1lqj n ASP 55 Cb 0.00 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 1lqj n ASP 55 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1lqj s VAL 56 N -1.07 2.99 0.00 2.53 1.01 -0.20 -4.16 120.40 121.51 1lqj s VAL 56 Ca 0.11 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1lqj s VAL 56 Cb 0.09 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1lqj s VAL 56 CO 0.18 0.07 0.00 0.29 0.00 0.00 0.00 175.10 175.64 1lqj n LYS 57 N 3.65 1.53 -3.71 2.72 5.02 -0.39 -4.90 118.16 122.08 1lqj n LYS 57 Ca 0.11 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 1lqj n LYS 57 Cb 0.41 -0.98 -0.08 0.00 -0.02 0.00 0.00 35.03 34.35 1lqj n LYS 57 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1lqj s VAL 58 N -1.97 0.05 -0.01 -0.18 1.01 -1.23 -2.24 120.40 115.83 1lqj s VAL 58 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1lqj s VAL 58 Cb 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1lqj s VAL 58 CO 0.00 -0.22 -0.17 -0.69 0.00 0.00 0.00 175.10 174.02 1lqj s VAL 59 N -1.43 1.35 -0.13 2.92 1.01 -0.31 -0.22 120.40 123.58 1lqj s VAL 59 Ca -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1lqj s VAL 59 Cb -0.04 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1lqj s VAL 59 CO 0.05 0.36 -0.13 -0.63 0.00 0.00 0.00 175.10 174.75 1lqj s ILE 60 N -0.43 1.40 -0.06 2.22 1.01 0.90 -2.43 121.20 123.81 1lqj s ILE 60 Ca 0.06 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 59.97 1lqj s ILE 60 Cb -0.07 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 1lqj s ILE 60 CO -0.01 0.43 0.58 -0.76 0.00 0.00 0.00 174.94 175.18 1lqj s LEU 61 N 1.41 4.34 0.40 2.97 1.02 -1.26 -2.12 118.68 125.45 1lqj s LEU 61 Ca 0.02 1.05 0.08 0.00 0.02 0.00 0.00 54.13 55.29 1lqj s LEU 61 Cb -0.13 -2.88 -0.02 0.00 0.02 0.00 0.00 46.19 43.18 1lqj s LEU 61 CO -0.08 0.02 0.40 -0.83 0.02 0.00 0.00 176.35 175.88 1lqj s GLY 62 N 0.32 2.02 0.00 -3.19 0.00 -0.25 -4.77 107.32 101.46 1lqj s GLY 62 Ca 0.31 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1lqj s GLY 62 CO 0.15 -1.63 0.00 -0.18 0.00 0.00 0.00 173.10 171.44 1lqj n GLN 63 N -1.58 0.00 -4.16 2.90 -0.06 -1.26 -2.05 117.38 111.17 1lqj n GLN 63 Ca 0.03 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.77 1lqj n GLN 63 Cb 0.61 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.72 1lqj n GLN 63 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1lqj s ASP 64 N -1.00 5.07 1.25 1.69 -1.08 -1.26 -2.42 116.67 118.91 1lqj s ASP 64 Ca 0.00 -0.29 -0.14 0.00 -0.52 0.00 0.00 52.55 51.60 1lqj s ASP 64 Cb 0.00 -1.18 0.21 0.00 -1.46 0.00 0.00 42.92 40.49 1lqj s ASP 64 CO 0.00 0.08 0.55 -2.65 0.52 0.00 0.00 175.17 173.67 1lqj n PRO 65 N -0.23 -3.27 -2.81 4.34 -0.02 -1.24 -4.89 135.00 126.87 1lqj n PRO 65 Ca -0.09 -0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 60.05 1lqj n PRO 65 Cb 0.55 -1.07 -0.03 0.00 -0.02 0.00 0.00 33.50 32.93 1lqj n PRO 65 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1lqj s TYR 66 N -1.81 2.83 -1.62 6.00 2.02 -1.26 -4.91 117.35 118.61 1lqj s TYR 66 Ca 0.40 -0.98 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 1lqj s TYR 66 Cb -0.06 -4.39 0.00 0.00 -0.40 0.00 0.00 41.96 37.11 1lqj s TYR 66 CO 0.33 -1.66 0.10 -2.39 -1.57 0.00 0.00 175.55 170.36 1lqj n HIS 67 N 7.49 0.00 -3.68 2.71 1.44 -1.26 -3.36 115.22 118.55 1lqj n HIS 67 Ca 0.17 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.68 1lqj n HIS 67 Cb 0.48 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.57 1lqj n HIS 67 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1lqj s GLY 68 N -1.66 1.67 0.50 -1.39 0.00 -1.26 -0.61 107.32 104.57 1lqj s GLY 68 Ca 0.00 -1.55 -0.22 0.00 0.00 0.00 0.00 44.72 42.95 1lqj s GLY 68 CO 0.00 -1.48 1.18 2.56 0.00 0.00 0.00 173.10 175.36 1lqj s PRO 69 N -4.07 3.51 0.00 2.90 0.04 -1.26 -3.25 135.00 132.87 1lqj s PRO 69 Ca 0.42 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1lqj s PRO 69 Cb -0.08 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1lqj s PRO 69 CO 0.28 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1lqj n GLY 70 N 0.41 0.02 0.00 0.56 0.00 -1.26 -4.74 105.19 100.17 1lqj n GLY 70 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1lqj n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lqj n GLN 71 N -2.00 0.00 -1.92 1.61 6.02 -1.20 -4.39 117.38 115.49 1lqj n GLN 71 Ca 0.00 0.34 -0.41 0.00 -0.01 0.00 0.00 57.00 56.92 1lqj n GLN 71 Cb 0.00 -0.84 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 1lqj n GLN 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lqj s ALA 72 N -3.00 3.59 0.00 -1.58 0.00 -1.21 -3.76 121.76 115.79 1lqj s ALA 72 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1lqj s ALA 72 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1lqj s ALA 72 CO 0.00 -0.87 0.72 -2.39 0.00 0.00 0.00 175.76 173.21 1lqj n HIS 73 N 1.19 0.00 -0.09 0.00 1.44 -1.26 -4.62 115.22 111.88 1lqj n HIS 73 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 1lqj n HIS 73 Cb 0.40 0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.62 1lqj n HIS 73 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1lqj n GLY 74 N 0.00 0.51 2.99 -1.39 0.00 -1.26 -4.76 105.19 101.28 1lqj n GLY 74 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1lqj n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lqj s LEU 75 N 0.00 1.65 0.85 0.99 1.43 -1.26 -2.35 118.68 119.99 1lqj s LEU 75 Ca 0.00 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 1lqj s LEU 75 Cb 0.00 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 1lqj s LEU 75 CO 0.00 0.03 0.33 0.00 0.23 0.00 0.00 176.35 176.94 1lqj n ALA 76 N 3.59 -2.45 0.00 4.21 0.00 0.21 -2.52 120.51 123.55 1lqj n ALA 76 Ca -0.21 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1lqj n ALA 76 Cb 0.53 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1lqj n ALA 76 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1lqj n PHE 77 N -2.95 0.00 -3.40 0.00 3.72 -1.26 -4.80 117.46 108.76 1lqj n PHE 77 Ca 0.07 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.09 1lqj n PHE 77 Cb 0.52 -0.42 -0.08 0.00 -0.94 0.00 0.00 39.48 38.56 1lqj n PHE 77 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1lqj s SER 78 N 0.00 6.33 0.07 4.37 0.15 -1.05 -4.86 113.70 118.71 1lqj s SER 78 Ca 0.00 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1lqj s SER 78 Cb 0.00 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1lqj s SER 78 CO 0.00 -0.13 0.00 1.33 1.20 0.00 0.00 173.24 175.64 1lqj n VAL 79 N 4.73 0.00 -4.59 4.45 0.24 0.64 -4.51 118.33 119.29 1lqj n VAL 79 Ca -0.09 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.91 1lqj n VAL 79 Cb 0.51 -1.29 -0.13 0.00 -1.47 0.00 0.00 33.84 31.47 1lqj n VAL 79 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1lqj s ARG 80 N 0.98 1.92 0.47 7.34 0.52 -1.25 -3.90 118.95 125.03 1lqj s ARG 80 Ca 0.00 -1.07 -0.17 0.00 -0.52 0.00 0.00 55.73 53.97 1lqj s ARG 80 Cb 0.00 -2.12 -0.14 0.00 0.52 0.00 0.00 34.95 33.21 1lqj s ARG 80 CO 0.00 0.52 -0.11 -2.30 0.02 0.00 0.00 175.30 173.42 1lqj n PRO 81 N 1.35 0.00 0.00 3.54 -0.02 -1.26 -1.73 135.00 136.89 1lqj n PRO 81 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1lqj n PRO 81 Cb 0.52 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 1lqj n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lqj n GLY 82 N 2.32 1.66 3.54 -1.23 0.00 -1.26 -4.94 105.19 105.29 1lqj n GLY 82 Ca 0.07 -0.09 -0.57 0.00 0.00 0.00 0.00 46.02 45.43 1lqj n GLY 82 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lqj n ILE 83 N 0.00 0.18 -0.93 -0.61 2.08 -0.70 -4.74 119.36 114.63 1lqj n ILE 83 Ca 0.00 -0.09 -0.44 0.00 0.56 0.00 0.00 62.75 62.77 1lqj n ILE 83 Cb 0.00 -1.11 -0.09 0.00 -0.75 0.00 0.00 39.64 37.69 1lqj n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1lqj n ALA 84 N 6.96 0.16 -1.61 -1.39 0.00 -1.26 -4.55 120.51 118.83 1lqj n ALA 84 Ca 0.37 0.13 -0.54 0.00 0.00 0.00 0.00 53.44 53.40 1lqj n ALA 84 Cb 0.10 -1.55 -0.07 0.00 0.00 0.00 0.00 19.45 17.94 1lqj n ALA 84 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1lqj n ILE 85 N 4.85 0.06 -2.15 0.00 5.41 -1.26 -4.89 119.36 121.38 1lqj n ILE 85 Ca 0.41 -0.01 -0.38 0.00 1.00 0.00 0.00 62.75 63.77 1lqj n ILE 85 Cb -0.03 -0.80 -0.00 0.00 -0.71 0.00 0.00 39.64 38.10 1lqj n ILE 85 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1lqj s PRO 86 N 1.07 3.75 0.54 0.38 0.02 -1.26 -4.82 135.00 134.67 1lqj s PRO 86 Ca 0.88 1.93 0.21 0.00 0.02 0.00 0.00 61.00 64.04 1lqj s PRO 86 Cb -1.03 -2.50 1.44 0.00 0.02 0.00 0.00 34.50 32.44 1lqj s PRO 86 CO 0.52 -0.60 2.17 -1.35 -0.33 0.00 0.00 177.00 177.41 1lqj h PRO 87 N 2.17 0.00 0.26 5.54 0.11 -1.94 0.36 132.00 138.50 1lqj h PRO 87 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1lqj h PRO 87 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1lqj h PRO 87 CO 0.61 0.00 -0.12 0.77 -0.21 0.00 0.00 178.00 179.04 1lqj h SER 88 N 0.00 -0.29 -0.30 -2.05 0.02 -1.92 -1.25 113.55 107.77 1lqj h SER 88 Ca 0.02 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 1lqj h SER 88 Cb 0.07 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1lqj h SER 88 CO -0.00 -0.13 -0.14 0.25 -1.14 0.00 0.00 176.83 175.67 1lqj h LEU 89 N -0.44 0.72 -1.81 5.07 5.85 -1.49 -2.46 115.31 120.76 1lqj h LEU 89 Ca -0.04 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1lqj h LEU 89 Cb 0.33 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1lqj h LEU 89 CO 0.06 0.88 0.00 0.25 -0.34 0.00 0.00 178.44 179.29 1lqj h LEU 90 N 0.66 0.00 0.00 2.25 5.85 -0.15 0.03 115.31 123.95 1lqj h LEU 90 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1lqj h LEU 90 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1lqj h LEU 90 CO 0.04 0.00 -0.76 0.78 -0.34 0.00 0.00 178.44 178.16 1lqj h ASN 91 N 0.00 0.00 0.40 1.25 4.21 -0.75 -3.24 115.58 117.45 1lqj h ASN 91 Ca 0.00 -0.15 -0.32 0.00 1.21 0.00 0.00 56.30 57.04 1lqj h ASN 91 Cb 0.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1lqj h ASN 91 CO 0.00 0.07 -1.54 0.24 -1.29 0.00 0.00 177.43 174.91 1lqj h MET 92 N 0.00 0.31 -0.32 0.81 2.86 -0.87 -2.88 114.93 114.84 1lqj h MET 92 Ca 0.00 -0.54 -0.00 0.00 -2.06 0.00 0.00 59.70 57.10 1lqj h MET 92 Cb 0.84 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 1lqj h MET 92 CO 0.00 1.20 0.19 1.88 1.06 0.00 0.00 176.91 181.24 1lqj h TYR 93 N 0.09 0.41 0.39 -0.22 0.05 -1.53 0.29 116.97 116.45 1lqj h TYR 93 Ca -0.25 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.51 1lqj h TYR 93 Cb 2.05 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 39.65 1lqj h TYR 93 CO 0.08 0.28 -0.19 0.87 -1.05 0.00 0.00 178.16 178.15 1lqj h LYS 94 N 0.44 -0.51 -1.02 4.88 1.57 -1.55 2.22 116.57 122.61 1lqj h LYS 94 Ca 0.12 0.03 0.27 0.00 -1.87 0.00 0.00 60.65 59.20 1lqj h LYS 94 Cb -0.01 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 1lqj h LYS 94 CO -0.02 -0.34 0.69 0.93 -0.57 0.00 0.00 179.45 180.14 1lqj h GLU 95 N -0.53 0.23 0.66 3.15 4.39 -1.22 1.20 114.58 122.47 1lqj h GLU 95 Ca -0.05 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1lqj h GLU 95 Cb 0.41 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1lqj h GLU 95 CO 0.09 0.15 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.70 1lqj h LEU 96 N 0.24 -0.75 -1.86 1.33 3.38 0.59 -1.24 115.31 116.99 1lqj h LEU 96 Ca 0.53 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.66 1lqj h LEU 96 Cb 1.65 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 1lqj h LEU 96 CO -0.16 -0.43 0.58 -0.33 0.09 0.00 0.00 178.44 178.19 1lqj h GLU 97 N -1.07 0.00 0.08 1.13 5.08 1.29 0.60 114.58 121.69 1lqj h GLU 97 Ca -0.09 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.90 1lqj h GLU 97 Cb 0.72 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1lqj h GLU 97 CO 0.15 0.00 -2.08 0.09 -1.00 0.00 0.00 179.01 176.17 1lqj n ASN 98 N -3.72 2.06 0.03 1.42 4.13 -0.11 -4.67 115.26 114.41 1lqj n ASN 98 Ca 0.11 0.15 -0.19 0.00 1.68 0.00 0.00 54.58 56.33 1lqj n ASN 98 Cb 0.79 -0.76 -0.13 0.00 -1.54 0.00 0.00 39.78 38.14 1lqj n ASN 98 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1lqj h THR 99 N -0.09 1.49 -3.62 3.41 1.35 -0.01 -3.44 112.91 112.00 1lqj h THR 99 Ca -0.47 -2.37 -0.62 0.00 -0.55 0.00 0.00 66.41 62.40 1lqj h THR 99 Cb 1.92 2.99 -0.13 0.00 -1.73 0.00 0.00 68.15 71.19 1lqj h THR 99 CO -0.01 0.67 -0.08 -0.63 -0.25 0.00 0.00 175.52 175.22 1lqj s ILE 100 N -2.71 5.10 -0.01 6.82 1.01 0.09 -5.03 121.20 126.47 1lqj s ILE 100 Ca -0.13 0.79 -0.35 0.00 0.00 0.00 0.00 60.65 60.95 1lqj s ILE 100 Cb 0.02 -3.79 -0.13 0.00 0.01 0.00 0.00 42.46 38.57 1lqj s ILE 100 CO 0.83 0.11 1.72 -2.65 0.00 0.00 0.00 174.94 174.95 1lqj n PRO 101 N 5.43 1.98 -0.32 2.79 -0.02 -1.26 -2.35 135.00 141.24 1lqj n PRO 101 Ca -0.05 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1lqj n PRO 101 Cb 0.50 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1lqj n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lqj n GLY 102 N 3.89 1.64 3.70 -1.23 0.00 -1.26 -5.01 105.19 106.92 1lqj n GLY 102 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1lqj n GLY 102 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lqj s PHE 103 N -3.06 3.28 0.15 1.61 2.19 -0.99 -5.02 117.98 116.14 1lqj s PHE 103 Ca 0.00 1.17 0.07 0.00 0.33 0.00 0.00 56.93 58.50 1lqj s PHE 103 Cb 0.00 -3.48 -0.04 0.00 -1.31 0.00 0.00 43.02 38.19 1lqj s PHE 103 CO 0.00 -1.57 -0.15 -0.08 1.83 0.00 0.00 175.22 175.25 1lqj s THR 104 N 1.52 1.50 -0.17 0.12 -1.32 -1.26 -4.49 115.64 111.54 1lqj s THR 104 Ca 0.59 -1.88 -0.37 0.00 -1.21 0.00 0.00 61.69 58.82 1lqj s THR 104 Cb -0.29 -1.72 -0.14 0.00 -1.51 0.00 0.00 72.50 68.84 1lqj s THR 104 CO 0.27 -0.45 1.80 -1.14 -2.21 0.00 0.00 174.62 172.89 1lqj n ARG 105 N 0.26 1.68 -0.15 7.08 0.63 -1.26 -4.86 116.66 120.03 1lqj n ARG 105 Ca -0.13 0.62 -0.11 0.00 -0.92 0.00 0.00 57.85 57.31 1lqj n ARG 105 Cb 0.58 -2.38 -0.01 0.00 0.45 0.00 0.00 32.46 31.10 1lqj n ARG 105 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1lqj h PRO 106 N 8.12 0.84 -5.46 -0.14 0.11 -1.98 -3.48 132.00 130.02 1lqj h PRO 106 Ca -0.47 -0.31 -0.06 0.00 0.11 0.00 0.00 66.00 65.26 1lqj h PRO 106 Cb 1.29 -0.05 0.03 0.00 0.11 0.00 0.00 31.00 32.38 1lqj h PRO 106 CO 0.95 0.94 -0.18 0.09 -0.21 0.00 0.00 178.00 179.60 1lqj n ASN 107 N -4.30 -7.48 0.00 -2.05 3.02 -1.26 -5.03 115.26 98.17 1lqj n ASN 107 Ca -0.00 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1lqj n ASN 107 Cb 0.36 -5.09 0.00 0.00 -0.61 0.00 0.00 39.78 34.44 1lqj n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lqj n HIS 108 N -2.03 0.00 -0.76 3.10 1.44 -1.26 -5.00 115.22 110.71 1lqj n HIS 108 Ca -0.03 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.51 1lqj n HIS 108 Cb 0.53 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.69 1lqj n HIS 108 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1lqj n GLY 109 N 0.00 4.09 3.31 -1.39 0.00 -1.26 -4.84 105.19 105.10 1lqj n GLY 109 Ca 0.00 -1.09 -0.46 0.00 0.00 0.00 0.00 46.02 44.47 1lqj n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lqj s TYR 110 N -2.03 3.44 -1.06 1.61 5.04 -1.25 0.23 117.35 123.34 1lqj s TYR 110 Ca 0.35 -1.56 -0.02 0.00 -2.44 0.00 0.00 57.07 53.39 1lqj s TYR 110 Cb 0.28 -3.80 0.31 0.00 0.35 0.00 0.00 41.96 39.10 1lqj s TYR 110 CO 0.01 -1.01 1.73 1.28 -1.34 0.00 0.00 175.55 176.23 1lqj n LEU 111 N 4.77 7.08 -0.04 6.97 4.77 -1.26 -4.67 117.00 134.62 1lqj n LEU 111 Ca -0.04 -5.32 -0.15 0.00 -0.03 0.00 0.00 56.01 50.48 1lqj n LEU 111 Cb 0.42 -1.21 -0.12 0.00 -2.33 0.00 0.00 43.42 40.18 1lqj n LEU 111 CO 0.46 1.93 0.41 -0.08 -1.33 0.00 0.00 177.39 178.78 1lqj h GLU 112 N 4.63 0.07 -0.86 3.23 4.81 -1.93 -3.23 114.58 121.29 1lqj h GLU 112 Ca 0.43 -0.09 0.25 0.00 -0.13 0.00 0.00 59.36 59.83 1lqj h GLU 112 Cb 0.42 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1lqj h GLU 112 CO 1.24 0.91 0.94 0.66 -0.73 0.00 0.00 179.01 182.03 1lqj h SER 113 N -0.73 0.00 0.05 1.04 4.64 -1.83 0.23 113.55 116.95 1lqj h SER 113 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1lqj h SER 113 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1lqj h SER 113 CO 0.02 0.00 -0.02 -0.50 -0.87 0.00 0.00 176.83 175.46 1lqj h TRP 114 N 0.00 -0.06 -0.61 4.77 4.06 -1.88 -3.03 115.95 119.20 1lqj h TRP 114 Ca 0.41 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.34 1lqj h TRP 114 Cb 2.28 0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 30.43 1lqj h TRP 114 CO 0.00 0.48 0.29 0.00 -3.56 0.00 0.00 178.44 175.65 1lqj h ALA 115 N 0.24 1.37 -0.00 1.49 0.00 -0.71 0.59 119.26 122.24 1lqj h ALA 115 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1lqj h ALA 115 Cb 0.56 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1lqj h ALA 115 CO 0.01 0.50 0.14 0.00 0.00 0.00 0.00 179.25 179.90 1lqj h ARG 116 N 0.86 0.00 -0.44 0.00 2.47 -1.18 1.35 114.38 117.43 1lqj h ARG 116 Ca 0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1lqj h ARG 116 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1lqj h ARG 116 CO -0.03 0.00 0.00 1.04 0.56 0.00 0.00 179.97 181.54 1lqj n GLN 117 N -3.00 2.45 0.00 0.04 6.02 0.17 -4.91 117.38 118.14 1lqj n GLN 117 Ca -0.03 -2.21 0.00 0.00 -0.01 0.00 0.00 57.00 54.76 1lqj n GLN 117 Cb 0.20 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1lqj n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1lqj n GLY 118 N 1.49 1.09 3.60 1.08 0.00 0.46 -4.74 105.19 108.17 1lqj n GLY 118 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1lqj n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lqj s VAL 119 N -2.00 4.78 -0.81 1.61 1.01 -1.00 -1.26 120.40 122.73 1lqj s VAL 119 Ca 0.00 0.96 -0.23 0.00 0.00 0.00 0.00 61.98 62.71 1lqj s VAL 119 Cb 0.00 -4.16 0.07 0.00 0.00 0.00 0.00 36.38 32.28 1lqj s VAL 119 CO 0.00 -0.34 1.18 -0.22 0.00 0.00 0.00 175.10 175.72 1lqj s LEU 120 N 2.99 4.00 -1.23 3.92 2.96 0.69 -3.91 118.68 128.10 1lqj s LEU 120 Ca 0.31 -1.14 -0.09 0.00 -0.22 0.00 0.00 54.13 52.98 1lqj s LEU 120 Cb -0.14 -2.49 0.20 0.00 0.50 0.00 0.00 46.19 44.26 1lqj s LEU 120 CO 0.15 -1.49 1.68 0.18 -1.32 0.00 0.00 176.35 175.54 1lqj n LEU 121 N 8.19 6.24 -4.64 -0.68 4.77 -1.26 -0.07 117.00 129.55 1lqj n LEU 121 Ca 0.11 -4.71 -0.35 0.00 -0.03 0.00 0.00 56.01 51.03 1lqj n LEU 121 Cb 0.48 -1.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.00 1lqj n LEU 121 CO 0.64 1.28 -0.22 -0.22 -1.33 0.00 0.00 177.39 177.53 1lqj s LEU 122 N -0.23 3.91 0.58 2.23 2.96 -0.90 0.66 118.68 127.90 1lqj s LEU 122 Ca 0.39 0.08 -0.13 0.00 -0.22 0.00 0.00 54.13 54.24 1lqj s LEU 122 Cb 0.05 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 1lqj s LEU 122 CO 0.02 0.13 1.02 0.20 -1.32 0.00 0.00 176.35 176.39 1lqj s ASN 123 N 0.67 6.33 -0.00 3.68 0.01 -1.26 -1.09 114.94 123.27 1lqj s ASN 123 Ca 0.05 1.50 -0.08 0.00 -0.71 0.00 0.00 52.86 53.62 1lqj s ASN 123 Cb -0.13 -2.49 -0.30 0.00 0.41 0.00 0.00 41.25 38.74 1lqj s ASN 123 CO 0.01 -0.80 0.85 0.71 -1.51 0.00 0.00 177.10 176.37 1lqj h THR 124 N 0.16 1.14 -3.80 1.60 1.35 -1.07 -3.42 112.91 108.87 1lqj h THR 124 Ca -0.45 -2.71 -0.65 0.00 -0.55 0.00 0.00 66.41 62.04 1lqj h THR 124 Cb 1.19 2.83 -0.17 0.00 -1.73 0.00 0.00 68.15 70.27 1lqj h THR 124 CO 0.61 0.84 -0.43 -0.69 -0.25 0.00 0.00 175.52 175.60 1lqj s VAL 125 N -2.61 5.26 -0.03 6.82 1.01 -1.02 -3.09 120.40 126.75 1lqj s VAL 125 Ca -0.11 0.13 0.14 0.00 0.00 0.00 0.00 61.98 62.15 1lqj s VAL 125 Cb 0.06 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1lqj s VAL 125 CO 0.87 0.13 1.48 -0.07 0.00 0.00 0.00 175.10 177.52 1lqj h LEU 126 N 8.49 0.00 -8.52 3.92 3.38 -1.88 -3.30 115.31 117.39 1lqj h LEU 126 Ca -0.33 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.27 1lqj h LEU 126 Cb 1.17 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.74 1lqj h LEU 126 CO 0.60 0.56 -0.75 0.42 0.09 0.00 0.00 178.44 179.36 1lqj s THR 127 N -3.07 1.15 0.14 0.22 -4.23 -1.26 -4.53 115.64 104.07 1lqj s THR 127 Ca 0.03 -1.64 -0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1lqj s THR 127 Cb 0.09 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 1lqj s THR 127 CO 0.74 -0.46 0.05 0.54 -0.54 0.00 0.00 174.62 174.96 1lqj s VAL 128 N -2.17 0.23 -0.31 2.29 0.11 0.82 -4.36 120.40 117.01 1lqj s VAL 128 Ca 0.06 -1.93 -0.09 0.00 -2.93 0.00 0.00 61.98 57.10 1lqj s VAL 128 Cb -0.05 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 1lqj s VAL 128 CO 0.02 -0.44 0.13 -0.13 -3.33 0.00 0.00 175.10 171.35 1lqj s ARG 129 N -4.02 3.22 -0.07 1.54 0.52 -1.26 0.30 118.95 119.19 1lqj s ARG 129 Ca 0.25 -0.79 -0.20 0.00 -0.52 0.00 0.00 55.73 54.47 1lqj s ARG 129 Cb 0.07 -3.51 -0.10 0.00 0.52 0.00 0.00 34.95 31.94 1lqj s ARG 129 CO 0.03 -0.44 0.59 0.00 0.02 0.00 0.00 175.30 175.50 1lqj n ALA 130 N 4.94 -1.67 0.00 2.13 0.00 0.03 0.90 120.51 126.84 1lqj n ALA 130 Ca -0.14 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1lqj n ALA 130 Cb 0.49 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1lqj n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqj n GLY 131 N 1.06 1.22 3.60 0.00 0.00 0.22 -4.91 105.19 106.37 1lqj n GLY 131 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1lqj n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lqj s GLN 132 N 0.00 3.37 -0.08 1.61 -0.21 0.26 -4.97 119.66 119.64 1lqj s GLN 132 Ca 0.00 1.22 -0.30 0.00 0.02 0.00 0.00 55.36 56.30 1lqj s GLN 132 Cb 0.00 -4.15 -0.03 0.00 1.00 0.00 0.00 33.01 29.82 1lqj s GLN 132 CO 0.00 -1.82 1.26 0.00 -2.12 0.00 0.00 175.29 172.61 1lqj s ALA 133 N 6.55 3.56 -1.42 6.09 0.00 -1.26 -3.66 121.76 131.61 1lqj s ALA 133 Ca 0.73 0.62 -0.10 0.00 0.00 0.00 0.00 51.96 53.21 1lqj s ALA 133 Cb -0.19 -3.56 0.07 0.00 0.00 0.00 0.00 23.12 19.43 1lqj s ALA 133 CO 0.33 -0.92 0.66 0.72 0.00 0.00 0.00 175.76 176.55 1lqj n HIS 134 N 5.69 -1.98 0.29 0.00 -0.00 -1.26 -4.88 115.22 113.08 1lqj n HIS 134 Ca 0.12 0.61 0.14 0.00 -0.00 0.00 0.00 57.72 58.60 1lqj n HIS 134 Cb 0.45 -3.56 0.41 0.00 -0.00 0.00 0.00 29.99 27.30 1lqj n HIS 134 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1lqj h SER 135 N -1.39 0.00 -0.84 0.41 4.64 -1.91 -3.27 113.55 111.19 1lqj h SER 135 Ca -0.50 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.25 1lqj h SER 135 Cb 1.33 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.10 1lqj h SER 135 CO 0.59 0.00 0.14 1.41 -0.87 0.00 0.00 176.83 178.09 1lqj n HIS 136 N -2.98 2.82 -2.50 4.77 8.25 -1.26 -4.96 115.22 119.36 1lqj n HIS 136 Ca 0.03 -2.53 -0.27 0.00 -0.26 0.00 0.00 57.72 54.69 1lqj n HIS 136 Cb 0.42 -0.92 0.01 0.00 1.12 0.00 0.00 29.99 30.62 1lqj n HIS 136 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lqj s ALA 137 N -3.66 3.35 -1.21 -1.41 0.00 -1.23 -3.81 121.76 113.79 1lqj s ALA 137 Ca 0.57 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1lqj s ALA 137 Cb 0.46 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1lqj s ALA 137 CO 0.01 -0.55 0.00 0.43 0.00 0.00 0.00 175.76 175.65 1lqj n SER 138 N -2.41 -3.87 -0.43 0.00 7.64 -1.26 -4.70 113.62 108.58 1lqj n SER 138 Ca 0.02 0.28 0.14 0.00 1.01 0.00 0.00 58.87 60.33 1lqj n SER 138 Cb 0.56 -3.31 0.52 0.00 -1.01 0.00 0.00 64.21 60.97 1lqj n SER 138 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1lqj n LEU 139 N -1.54 1.38 0.00 -3.43 7.94 -1.25 -4.90 117.00 115.19 1lqj n LEU 139 Ca -0.11 -0.45 0.00 0.00 -1.11 0.00 0.00 56.01 54.34 1lqj n LEU 139 Cb 0.45 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.38 1lqj n LEU 139 CO 0.17 0.23 0.00 0.61 -1.11 0.00 0.00 177.39 177.30 1lqj n GLY 140 N 1.19 1.02 0.11 -3.96 0.00 -1.26 -4.30 105.19 97.99 1lqj n GLY 140 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1lqj n GLY 140 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1lqj h TRP 141 N 0.00 0.44 0.00 1.61 4.06 -1.87 -2.64 115.95 117.55 1lqj h TRP 141 Ca 0.00 -0.32 -0.00 0.00 2.06 0.00 0.00 58.89 60.63 1lqj h TRP 141 Cb 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1lqj h TRP 141 CO 0.00 1.26 -0.01 0.93 -3.56 0.00 0.00 178.44 177.06 1lqj h GLU 142 N -0.49 0.00 0.00 0.49 3.07 -1.92 3.26 114.58 118.99 1lqj h GLU 142 Ca -0.12 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.65 1lqj h GLU 142 Cb 1.52 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.42 1lqj h GLU 142 CO 0.12 0.01 -0.46 1.15 -1.40 0.00 0.00 179.01 178.43 1lqj h THR 143 N 0.00 1.33 0.09 1.13 2.02 -1.87 0.90 112.91 116.50 1lqj h THR 143 Ca -0.00 -1.57 -0.34 0.00 0.77 0.00 0.00 66.41 65.27 1lqj h THR 143 Cb 0.01 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1lqj h THR 143 CO 0.00 0.45 -1.85 0.15 0.37 0.00 0.00 175.52 174.64 1lqj h PHE 144 N 0.00 0.34 0.38 3.16 3.57 0.15 -3.26 116.94 121.28 1lqj h PHE 144 Ca -0.00 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 1lqj h PHE 144 Cb 0.81 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1lqj h PHE 144 CO 0.00 1.49 -0.18 0.00 -2.23 0.00 0.00 178.31 177.39 1lqj h THR 145 N 0.05 0.63 -0.45 4.41 1.03 0.57 -0.85 112.91 118.31 1lqj h THR 145 Ca -0.36 -0.16 0.04 0.00 -0.01 0.00 0.00 66.41 65.92 1lqj h THR 145 Cb 2.03 0.72 -0.05 0.00 -1.07 0.00 0.00 68.15 69.77 1lqj h THR 145 CO 0.10 0.03 -0.26 0.47 -0.01 0.00 0.00 175.52 175.85 1lqj n ASP 146 N -5.27 -0.48 -0.13 0.00 8.00 0.31 0.34 116.55 119.32 1lqj n ASP 146 Ca -0.11 1.14 -0.04 0.00 0.71 0.00 0.00 54.79 56.49 1lqj n ASP 146 Cb 0.24 -0.27 0.04 0.00 -0.02 0.00 0.00 41.12 41.11 1lqj n ASP 146 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1lqj h LYS 147 N 0.00 0.16 -0.92 -1.24 1.63 -1.56 0.45 116.57 115.08 1lqj h LYS 147 Ca 0.07 -0.01 0.24 0.00 -0.85 0.00 0.00 60.65 60.11 1lqj h LYS 147 Cb 0.18 -0.04 -0.17 0.00 -0.60 0.00 0.00 32.23 31.61 1lqj h LYS 147 CO -0.42 0.10 -0.01 0.28 -3.45 0.00 0.00 179.45 175.95 1lqj n VAL 148 N -5.16 -0.39 0.30 2.00 0.31 1.05 -1.04 118.33 115.41 1lqj n VAL 148 Ca 0.04 2.04 -0.12 0.00 -0.01 0.00 0.00 64.34 66.29 1lqj n VAL 148 Cb 0.22 -2.95 -0.06 0.00 -0.91 0.00 0.00 33.84 30.14 1lqj n VAL 148 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1lqj h ILE 149 N 0.00 0.00 0.00 2.52 2.04 0.37 -2.20 117.51 120.24 1lqj h ILE 149 Ca 0.54 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.28 1lqj h ILE 149 Cb 1.09 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1lqj h ILE 149 CO -0.88 0.00 0.80 -1.28 0.00 0.00 0.00 178.15 176.79 1lqj h SER 150 N -0.89 0.00 0.01 1.72 0.87 -0.89 3.85 113.55 118.22 1lqj h SER 150 Ca -0.08 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.38 1lqj h SER 150 Cb 0.59 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1lqj h SER 150 CO 0.13 0.00 -0.40 -0.07 -0.53 0.00 0.00 176.83 175.96 1lqj h LEU 151 N 0.00 0.33 0.43 2.23 3.38 -0.68 0.19 115.31 121.18 1lqj h LEU 151 Ca 0.00 -0.80 -0.02 0.00 0.09 0.00 0.00 57.88 57.15 1lqj h LEU 151 Cb 1.60 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1lqj h LEU 151 CO 0.00 1.09 -0.21 0.40 0.09 0.00 0.00 178.44 179.82 1lqj h ILE 152 N -0.40 0.58 -0.87 1.22 2.04 0.76 0.38 117.51 121.21 1lqj h ILE 152 Ca -0.05 -0.16 0.12 0.00 1.00 0.00 0.00 64.86 65.76 1lqj h ILE 152 Cb 1.16 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 37.82 1lqj h ILE 152 CO 0.08 0.03 0.49 -1.13 0.00 0.00 0.00 178.15 177.62 1lqj h ASN 153 N -0.67 0.68 0.08 1.72 -1.24 -1.20 0.17 115.58 115.12 1lqj h ASN 153 Ca -0.06 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1lqj h ASN 153 Cb 0.49 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1lqj h ASN 153 CO 0.10 0.35 -0.04 -0.61 -1.29 0.00 0.00 177.43 175.93 1lqj h GLN 154 N 0.77 -0.11 -0.96 6.67 4.15 -0.31 -3.35 115.11 121.98 1lqj h GLN 154 Ca 0.44 0.01 -0.36 0.00 0.77 0.00 0.00 58.65 59.51 1lqj h GLN 154 Cb 0.50 0.02 -0.22 0.00 0.21 0.00 0.00 27.48 28.00 1lqj h GLN 154 CO -0.29 0.39 0.46 0.72 -1.93 0.00 0.00 178.83 178.18 1lqj n HIS 155 N -4.81 2.36 -3.57 3.99 8.25 0.13 -4.90 115.22 116.67 1lqj n HIS 155 Ca -0.07 -1.45 -0.12 0.00 -0.26 0.00 0.00 57.72 55.82 1lqj n HIS 155 Cb 0.27 -0.76 -0.04 0.00 1.12 0.00 0.00 29.99 30.57 1lqj n HIS 155 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1lqj s ARG 156 N -2.60 1.10 0.02 -0.41 1.81 0.58 -4.97 118.95 114.48 1lqj s ARG 156 Ca 0.45 -0.51 -0.01 0.00 -1.72 0.00 0.00 55.73 53.94 1lqj s ARG 156 Cb 0.38 0.50 -0.02 0.00 -0.45 0.00 0.00 34.95 35.35 1lqj s ARG 156 CO 0.09 -0.43 -0.00 -1.83 -0.68 0.00 0.00 175.30 172.44 1lqj s GLU 157 N -3.37 0.36 -0.43 3.54 -1.05 -1.26 -4.57 118.70 111.92 1lqj s GLU 157 Ca -0.00 -0.62 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 1lqj s GLU 157 Cb 0.00 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 1lqj s GLU 157 CO -0.09 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.46 1lqj n GLY 158 N 1.47 0.65 3.84 -3.83 0.00 0.99 -4.95 105.19 103.36 1lqj n GLY 158 Ca -0.23 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1lqj n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lqj s VAL 159 N -1.93 4.36 -0.00 1.61 1.01 -1.26 -4.71 120.40 119.49 1lqj s VAL 159 Ca 0.00 0.90 0.03 0.00 0.00 0.00 0.00 61.98 62.91 1lqj s VAL 159 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1lqj s VAL 159 CO 0.00 -0.87 -0.08 -0.69 0.00 0.00 0.00 175.10 173.46 1lqj s VAL 160 N -2.90 3.58 -0.21 2.92 1.01 -0.95 -0.55 120.40 123.30 1lqj s VAL 160 Ca 0.58 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1lqj s VAL 160 Cb -0.12 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.76 1lqj s VAL 160 CO 0.46 0.41 -0.11 -0.36 0.00 0.00 0.00 175.10 175.50 1lqj s PHE 161 N -0.97 2.55 -0.62 5.22 2.99 0.23 -1.16 117.98 126.21 1lqj s PHE 161 Ca 0.16 -1.69 -0.18 0.00 0.00 0.00 0.00 56.93 55.23 1lqj s PHE 161 Cb -0.11 -1.69 0.12 0.00 0.00 0.00 0.00 43.02 41.34 1lqj s PHE 161 CO 0.07 -0.77 0.68 -0.51 -0.00 0.00 0.00 175.22 174.69 1lqj s LEU 162 N 1.35 5.73 -0.23 -0.37 1.43 -1.02 -1.63 118.68 123.93 1lqj s LEU 162 Ca -0.02 -1.68 -0.22 0.00 -1.03 0.00 0.00 54.13 51.18 1lqj s LEU 162 Cb -0.17 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 1lqj s LEU 162 CO -0.08 -0.99 0.68 -0.76 0.23 0.00 0.00 176.35 175.43 1lqj s LEU 163 N 2.15 4.09 -0.26 1.79 1.43 0.03 -4.24 118.68 123.67 1lqj s LEU 163 Ca 0.11 0.83 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 1lqj s LEU 163 Cb -0.24 -2.95 0.07 0.00 0.03 0.00 0.00 46.19 43.10 1lqj s LEU 163 CO 0.03 -0.38 -0.06 0.26 0.23 0.00 0.00 176.35 176.43 1lqj s TRP 164 N 2.43 3.00 0.00 0.29 0.51 -1.25 -1.17 118.94 122.74 1lqj s TRP 164 Ca 0.29 -2.22 0.00 0.00 -2.12 0.00 0.00 56.10 52.05 1lqj s TRP 164 Cb -0.16 -1.95 0.00 0.00 -0.81 0.00 0.00 33.47 30.55 1lqj s TRP 164 CO 0.09 -0.86 0.00 0.41 -0.51 0.00 0.00 176.95 176.08 1lqj n GLY 165 N 4.50 2.66 0.24 0.98 0.00 0.49 -4.51 105.19 109.55 1lqj n GLY 165 Ca -0.10 -1.87 0.16 0.00 0.00 0.00 0.00 46.02 44.21 1lqj n GLY 165 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lqj h SER 166 N 0.00 0.00 0.25 1.61 0.02 -1.96 -1.82 113.55 111.64 1lqj h SER 166 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1lqj h SER 166 Cb 0.00 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.57 1lqj h SER 166 CO 0.00 0.00 -1.33 -0.74 -1.14 0.00 0.00 176.83 173.62 1lqj h HIS 167 N 0.00 0.93 0.00 3.45 -0.00 -1.99 -2.99 115.15 114.55 1lqj h HIS 167 Ca 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 60.37 59.74 1lqj h HIS 167 Cb 0.52 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1lqj h HIS 167 CO 0.00 1.48 0.00 0.00 -0.00 0.00 0.00 177.93 179.41 1lqj h ALA 168 N 0.29 1.00 0.00 5.26 0.00 -1.77 -3.19 119.26 120.85 1lqj h ALA 168 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1lqj h ALA 168 Cb 2.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1lqj h ALA 168 CO 0.25 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.54 1lqj n GLN 169 N -2.54 0.15 -0.02 0.00 6.02 -0.69 -2.93 117.38 117.37 1lqj n GLN 169 Ca 0.05 0.16 -0.22 0.00 -0.01 0.00 0.00 57.00 56.98 1lqj n GLN 169 Cb 0.46 -1.69 -0.13 0.00 1.02 0.00 0.00 30.24 29.90 1lqj n GLN 169 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1lqj h LYS 170 N 0.00 0.19 -0.73 -1.09 1.63 -1.52 -3.37 116.57 111.68 1lqj h LYS 170 Ca 0.00 -0.32 0.15 0.00 -0.85 0.00 0.00 60.65 59.64 1lqj h LYS 170 Cb 0.60 0.12 -0.13 0.00 -0.60 0.00 0.00 32.23 32.21 1lqj h LYS 170 CO 0.00 1.15 -0.10 0.87 -3.45 0.00 0.00 179.45 177.92 1lqj h LYS 171 N -0.34 0.04 0.00 1.90 1.79 -1.56 -1.77 116.57 116.64 1lqj h LYS 171 Ca -0.37 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.08 1lqj h LYS 171 Cb 1.75 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.39 1lqj h LYS 171 CO -0.01 0.03 -0.08 0.78 -1.08 0.00 0.00 179.45 179.09 1lqj h GLY 172 N 0.04 0.00 -1.03 3.86 0.00 -1.69 -3.24 103.07 101.01 1lqj h GLY 172 Ca 0.37 0.00 0.30 0.00 0.00 0.00 0.00 47.33 48.00 1lqj h GLY 172 CO -0.70 0.00 1.05 0.00 0.00 0.00 0.00 176.54 176.88 1lqj n ALA 173 N -2.18 0.99 0.04 3.60 0.00 -0.66 0.11 120.51 122.40 1lqj n ALA 173 Ca -0.01 0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.64 1lqj n ALA 173 Cb 0.26 -0.59 -0.09 0.00 0.00 0.00 0.00 19.45 19.02 1lqj n ALA 173 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1lqj h ILE 174 N 0.00 1.12 -2.01 0.00 2.04 -1.79 -3.46 117.51 113.42 1lqj h ILE 174 Ca 0.49 -1.00 -0.62 0.00 1.00 0.00 0.00 64.86 64.73 1lqj h ILE 174 Cb 2.58 1.74 0.14 0.00 -0.74 0.00 0.00 36.82 40.54 1lqj h ILE 174 CO -0.01 0.24 -0.57 -0.38 0.00 0.00 0.00 178.15 177.43 1lqj n ILE 175 N -4.93 1.45 -3.02 -0.67 5.41 0.31 -4.87 119.36 113.03 1lqj n ILE 175 Ca -0.09 -0.50 -0.42 0.00 1.00 0.00 0.00 62.75 62.74 1lqj n ILE 175 Cb 0.25 -0.33 -0.06 0.00 -0.71 0.00 0.00 39.64 38.79 1lqj n ILE 175 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1lqj s ASP 176 N -0.96 6.45 0.00 4.38 2.15 -1.26 -4.90 116.67 122.53 1lqj s ASP 176 Ca 0.62 0.08 0.02 0.00 0.43 0.00 0.00 52.55 53.69 1lqj s ASP 176 Cb -0.65 -2.36 0.10 0.00 -0.30 0.00 0.00 42.92 39.71 1lqj s ASP 176 CO 0.59 -0.76 0.67 0.29 -0.17 0.00 0.00 175.17 175.80 1lqj n LYS 177 N 6.39 0.05 -0.10 4.34 4.01 -1.26 -1.86 118.16 129.73 1lqj n LYS 177 Ca 0.01 0.07 -0.10 0.00 -0.51 0.00 0.00 58.31 57.78 1lqj n LYS 177 Cb 0.48 -1.50 -0.15 0.00 -0.51 0.00 0.00 35.03 33.36 1lqj n LYS 177 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1lqj n GLN 178 N -1.08 0.87 0.00 1.97 6.02 -1.26 -4.55 117.38 119.36 1lqj n GLN 178 Ca 0.01 0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.85 1lqj n GLN 178 Cb 0.01 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 29.64 1lqj n GLN 178 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1lqj h ARG 179 N 0.00 0.17 -6.64 -1.09 2.43 -1.78 -3.47 114.38 104.00 1lqj h ARG 179 Ca -0.52 -0.30 -0.69 0.00 -0.81 0.00 0.00 59.98 57.67 1lqj h ARG 179 Cb 2.13 0.11 -0.23 0.00 -0.42 0.00 0.00 29.97 31.56 1lqj h ARG 179 CO 0.02 0.95 -0.83 -1.01 -1.51 0.00 0.00 179.97 177.59 1lqj s HIS 180 N -2.58 2.48 -0.18 2.20 3.76 -0.78 0.33 115.29 120.52 1lqj s HIS 180 Ca -0.14 -0.31 -0.28 0.00 -0.15 0.00 0.00 55.06 54.18 1lqj s HIS 180 Cb 0.07 -1.43 -0.00 0.00 1.11 0.00 0.00 32.58 32.32 1lqj s HIS 180 CO 0.80 0.22 0.97 -1.58 -0.85 0.00 0.00 174.74 174.30 1lqj s HIS 181 N -0.90 3.41 -0.59 1.40 2.46 0.29 -4.31 115.29 117.04 1lqj s HIS 181 Ca 0.14 1.43 0.04 0.00 0.47 0.00 0.00 55.06 57.14 1lqj s HIS 181 Cb -0.10 -3.17 0.15 0.00 -0.13 0.00 0.00 32.58 29.33 1lqj s HIS 181 CO 0.04 -0.34 0.38 0.08 -2.47 0.00 0.00 174.74 172.43 1lqj s VAL 182 N 2.57 2.48 0.14 0.89 1.01 -1.26 0.74 120.40 126.96 1lqj s VAL 182 Ca 0.43 -3.67 -0.25 0.00 0.00 0.00 0.00 61.98 58.50 1lqj s VAL 182 Cb -0.16 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.47 1lqj s VAL 182 CO 0.11 -0.93 0.76 -0.76 0.00 0.00 0.00 175.10 174.27 1lqj s LEU 183 N -0.77 4.56 0.44 3.92 1.43 -0.65 -4.94 118.68 122.68 1lqj s LEU 183 Ca 0.22 1.58 0.04 0.00 -1.03 0.00 0.00 54.13 54.93 1lqj s LEU 183 Cb -0.14 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 1lqj s LEU 183 CO -0.09 0.18 0.02 -0.54 0.23 0.00 0.00 176.35 176.15 1lqj s LYS 184 N -0.95 2.02 0.00 1.70 1.02 -1.26 -0.79 119.74 121.49 1lqj s LYS 184 Ca 0.36 -2.21 0.00 0.00 0.02 0.00 0.00 55.97 54.13 1lqj s LYS 184 Cb -0.22 -1.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 1lqj s LYS 184 CO 0.25 -0.22 0.00 0.00 -0.92 0.00 0.00 175.35 174.46 1lqj n ALA 185 N -1.05 0.00 -1.33 5.17 0.00 -0.32 -4.89 120.51 118.09 1lqj n ALA 185 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 1lqj n ALA 185 Cb 0.67 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.23 1lqj n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1lqj s PRO 186 N -2.00 1.77 0.44 0.00 0.04 -1.26 -0.38 135.00 133.61 1lqj s PRO 186 Ca 0.00 0.84 -0.24 0.00 0.04 0.00 0.00 61.00 61.64 1lqj s PRO 186 Cb 0.00 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1lqj s PRO 186 CO 0.00 -1.89 1.23 -1.58 0.04 0.00 0.00 177.00 174.79 1lqj s HIS 187 N -2.99 2.83 -1.44 0.56 2.46 -1.26 -4.32 115.29 111.12 1lqj s HIS 187 Ca 0.62 1.49 0.05 0.00 0.47 0.00 0.00 55.06 57.69 1lqj s HIS 187 Cb -0.17 -3.51 0.26 0.00 -0.13 0.00 0.00 32.58 29.04 1lqj s HIS 187 CO 0.56 -1.79 1.00 -0.35 -2.47 0.00 0.00 174.74 171.69 1lqj n PRO 188 N -0.25 0.08 -1.73 2.88 -0.04 -1.26 -0.16 135.00 134.50 1lqj n PRO 188 Ca 0.06 0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 1lqj n PRO 188 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 1lqj n PRO 188 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1lqj s SER 189 N -2.56 6.40 0.53 3.54 0.15 -1.26 -4.19 113.70 116.31 1lqj s SER 189 Ca 0.05 2.83 0.03 0.00 0.70 0.00 0.00 55.95 59.56 1lqj s SER 189 Cb 0.03 -2.59 0.18 0.00 -1.71 0.00 0.00 66.02 61.94 1lqj s SER 189 CO 0.08 -0.98 1.01 -0.65 1.20 0.00 0.00 173.24 173.90 1lqj h PRO 190 N 7.26 0.00 0.00 5.44 0.11 -1.85 0.73 132.00 143.70 1lqj h PRO 190 Ca -0.44 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1lqj h PRO 190 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1lqj h PRO 190 CO 0.95 0.00 -0.41 -0.07 -0.21 0.00 0.00 178.00 178.27 1lqj h LEU 191 N 0.00 0.00 0.07 2.35 -0.00 -1.89 -3.43 115.31 112.41 1lqj h LEU 191 Ca 0.00 -0.58 -0.00 0.00 -0.00 0.00 0.00 57.88 57.29 1lqj h LEU 191 Cb 1.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.29 1lqj h LEU 191 CO 0.00 1.03 -0.03 0.28 -0.00 0.00 0.00 178.44 179.71 1lqj h SER 192 N -1.00 -0.07 -0.03 -0.43 0.02 0.22 -3.39 113.55 108.86 1lqj h SER 192 Ca -0.10 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.47 1lqj h SER 192 Cb 0.86 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1lqj h SER 192 CO -0.06 0.59 -0.00 0.00 -1.14 0.00 0.00 176.83 176.22 1lqj n ALA 193 N -2.67 0.02 -0.93 3.77 0.00 0.77 0.14 120.51 121.61 1lqj n ALA 193 Ca -0.05 0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 1lqj n ALA 193 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1lqj n ALA 193 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lqj n HIS 194 N -3.75 1.20 -2.16 0.00 8.25 -1.26 -2.49 115.22 115.00 1lqj n HIS 194 Ca 0.01 -1.78 0.00 0.00 -0.26 0.00 0.00 57.72 55.69 1lqj n HIS 194 Cb 0.03 -0.99 -0.00 0.00 1.12 0.00 0.00 29.99 30.14 1lqj n HIS 194 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1lqj n ARG 195 N 0.75 0.00 0.00 -0.41 5.12 0.38 -4.99 116.66 117.52 1lqj n ARG 195 Ca 0.29 -1.15 0.00 0.00 -1.93 0.00 0.00 57.85 55.06 1lqj n ARG 195 Cb 0.58 -0.09 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 1lqj n ARG 195 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lqj n GLY 196 N 0.16 0.99 0.00 -0.13 0.00 -1.20 -4.70 105.19 100.31 1lqj n GLY 196 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1lqj n GLY 196 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1lqj n PHE 197 N 0.00 0.00 -1.44 1.61 7.35 -1.04 -3.94 117.46 120.00 1lqj n PHE 197 Ca 0.00 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.52 1lqj n PHE 197 Cb 0.00 -0.49 -0.17 0.00 0.35 0.00 0.00 39.48 39.17 1lqj n PHE 197 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1lqj n PHE 198 N -1.97 0.21 0.00 -5.13 3.72 -1.18 0.22 117.46 113.33 1lqj n PHE 198 Ca 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1lqj n PHE 198 Cb 0.00 -0.89 0.00 0.00 -0.94 0.00 0.00 39.48 37.65 1lqj n PHE 198 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1lqj n GLY 199 N 5.57 1.25 0.41 1.37 0.00 -1.26 -4.98 105.19 107.56 1lqj n GLY 199 Ca 0.54 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.79 1lqj n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqj n ASN 201 N -4.05 -5.71 -0.09 0.00 2.85 -1.26 -4.94 115.26 102.06 1lqj n ASN 201 Ca 0.12 -0.63 -0.13 0.00 -0.11 0.00 0.00 54.58 53.83 1lqj n ASN 201 Cb 0.73 -4.60 -0.05 0.00 1.24 0.00 0.00 39.78 37.10 1lqj n ASN 201 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1lqj h HIS 202 N -2.47 0.73 -0.21 1.20 3.86 -1.94 0.15 115.15 116.47 1lqj h HIS 202 Ca -0.57 -0.21 0.06 0.00 -1.16 0.00 0.00 60.37 58.49 1lqj h HIS 202 Cb 1.37 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.68 1lqj h HIS 202 CO 0.52 0.91 0.20 0.74 0.86 0.00 0.00 177.93 181.16 1lqj h PHE 203 N 0.34 0.00 0.00 2.45 0.04 -1.98 2.43 116.94 120.22 1lqj h PHE 203 Ca 0.05 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.44 1lqj h PHE 203 Cb 0.76 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.84 1lqj h PHE 203 CO 0.07 0.00 -2.44 0.28 -0.60 0.00 0.00 178.31 175.62 1lqj n VAL 204 N -3.95 1.46 0.04 -0.55 0.31 -1.17 -3.64 118.33 110.83 1lqj n VAL 204 Ca 0.02 -0.67 -0.04 0.00 -0.01 0.00 0.00 64.34 63.64 1lqj n VAL 204 Cb 0.33 -1.09 0.19 0.00 -0.91 0.00 0.00 33.84 32.37 1lqj n VAL 204 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1lqj h LEU 205 N 0.00 0.41 0.06 7.52 4.07 0.10 -1.20 115.31 126.28 1lqj h LEU 205 Ca -0.57 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.23 1lqj h LEU 205 Cb 2.02 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 43.64 1lqj h LEU 205 CO -0.05 0.74 -0.11 0.00 -1.08 0.00 0.00 178.44 177.94 1lqj h ALA 206 N 1.29 -0.73 -0.69 1.53 0.00 0.40 -2.12 119.26 118.95 1lqj h ALA 206 Ca 0.04 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1lqj h ALA 206 Cb 0.77 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 1lqj h ALA 206 CO 0.06 -0.75 -0.11 -0.91 0.00 0.00 0.00 179.25 177.55 1lqj h ASN 207 N -0.18 -0.52 -0.87 0.00 2.35 -1.59 -0.97 115.58 113.81 1lqj h ASN 207 Ca -0.01 0.20 0.19 0.00 -0.55 0.00 0.00 56.30 56.13 1lqj h ASN 207 Cb 0.17 0.38 -0.16 0.00 0.05 0.00 0.00 38.32 38.76 1lqj h ASN 207 CO -0.04 -0.20 -0.13 1.56 -1.65 0.00 0.00 177.43 176.97 1lqj h GLN 208 N 0.04 0.02 -0.50 0.81 4.20 -0.56 0.76 115.11 119.88 1lqj h GLN 208 Ca 0.35 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.96 1lqj h GLN 208 Cb 0.56 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1lqj h GLN 208 CO -0.67 0.01 -0.05 2.35 -0.67 0.00 0.00 178.83 179.81 1lqj h TRP 209 N 0.02 1.01 -0.14 2.96 2.91 -0.79 -2.31 115.95 119.61 1lqj h TRP 209 Ca 0.45 -0.19 -0.02 0.00 1.13 0.00 0.00 58.89 60.25 1lqj h TRP 209 Cb 0.76 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 29.14 1lqj h TRP 209 CO -0.60 0.95 -0.02 -0.07 -1.03 0.00 0.00 178.44 177.67 1lqj h LEU 210 N 0.77 0.18 0.44 0.65 3.38 0.68 -2.75 115.31 118.66 1lqj h LEU 210 Ca 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1lqj h LEU 210 Cb 0.58 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1lqj h LEU 210 CO 0.04 0.24 -0.21 -0.33 0.09 0.00 0.00 178.44 178.27 1lqj h GLU 211 N 0.20 -0.57 0.00 1.13 5.08 0.13 -1.18 114.58 119.37 1lqj h GLU 211 Ca 0.05 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1lqj h GLU 211 Cb 0.18 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1lqj h GLU 211 CO 0.01 -0.38 0.00 0.94 -1.00 0.00 0.00 179.01 178.58 1lqj n GLN 212 N -3.75 0.01 -0.13 2.33 7.27 -1.08 0.11 117.38 122.14 1lqj n GLN 212 Ca -0.07 0.34 0.09 0.00 0.07 0.00 0.00 57.00 57.43 1lqj n GLN 212 Cb 0.23 -1.50 0.29 0.00 2.41 0.00 0.00 30.24 31.67 1lqj n GLN 212 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1lqj n ARG 213 N -1.36 1.86 -0.46 3.69 1.74 -1.02 -4.87 116.66 116.25 1lqj n ARG 213 Ca 0.01 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.78 1lqj n ARG 213 Cb 0.01 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1lqj n ARG 213 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lqj n GLY 214 N 1.16 2.00 3.25 -0.13 0.00 0.31 -5.00 105.19 106.77 1lqj n GLY 214 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1lqj n GLY 214 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lqj n GLU 215 N -2.00 -1.57 -3.79 1.61 -0.58 -0.48 -5.01 120.64 108.82 1lqj n GLU 215 Ca 0.00 -1.70 -0.37 0.00 -0.42 0.00 0.00 57.16 54.67 1lqj n GLU 215 Cb 0.00 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 1lqj n GLU 215 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1lqj s THR 216 N -3.30 5.39 0.66 2.62 2.01 -1.26 -4.37 115.64 117.38 1lqj s THR 216 Ca 0.64 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.85 1lqj s THR 216 Cb -0.03 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1lqj s THR 216 CO 0.46 0.59 1.05 -2.84 -0.69 0.00 0.00 174.62 173.19 1lqj s PRO 217 N -1.11 3.18 -0.15 4.92 0.02 -1.26 -4.85 135.00 135.75 1lqj s PRO 217 Ca 0.18 0.94 -0.19 0.00 0.02 0.00 0.00 61.00 61.95 1lqj s PRO 217 Cb -0.13 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 1lqj s PRO 217 CO 0.07 -0.90 0.54 0.42 -0.33 0.00 0.00 177.00 176.79 1lqj s ILE 218 N -2.97 5.12 -0.98 2.83 -1.09 -1.26 -4.99 121.20 117.85 1lqj s ILE 218 Ca 0.58 1.04 -0.23 0.00 -2.23 0.00 0.00 60.65 59.81 1lqj s ILE 218 Cb -0.13 -3.87 0.06 0.00 -1.58 0.00 0.00 42.46 36.94 1lqj s ILE 218 CO 0.51 0.23 1.40 -0.62 -1.23 0.00 0.00 174.94 175.23 1lqj s ASP 219 N 0.92 6.48 0.00 3.58 2.15 -1.26 -4.86 116.67 123.67 1lqj s ASP 219 Ca 0.27 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 51.84 1lqj s ASP 219 Cb -0.16 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1lqj s ASP 219 CO 0.11 -1.50 0.44 0.79 -0.17 0.00 0.00 175.17 174.84 1lqj n TRP 220 N 8.70 0.00 -3.83 -5.34 5.03 -1.26 -4.46 117.44 116.28 1lqj n TRP 220 Ca 0.29 -0.17 -0.32 0.00 3.03 0.00 0.00 57.50 60.33 1lqj n TRP 220 Cb 0.51 -0.13 -0.11 0.00 -1.03 0.00 0.00 31.31 30.54 1lqj n TRP 220 CO 0.00 0.00 0.00 1.41 -0.03 0.00 0.00 177.69 179.07 1lqj s MET 221 N -0.09 2.39 -0.00 -0.99 1.75 -1.26 -5.07 119.30 116.03 1lqj s MET 221 Ca 0.00 -2.79 -0.38 0.00 -1.25 0.00 0.00 55.69 51.27 1lqj s MET 221 Cb 0.00 -3.54 -0.17 0.00 2.84 0.00 0.00 34.83 33.96 1lqj s MET 221 CO 0.00 -1.18 1.38 -0.35 -0.65 0.00 0.00 175.02 174.23 1lqj n PRO 222 N 2.95 0.97 -4.32 4.11 -0.04 -1.26 -4.96 135.00 132.45 1lqj n PRO 222 Ca 0.10 0.35 -0.35 0.00 -0.04 0.00 0.00 63.50 63.57 1lqj n PRO 222 Cb 0.35 -1.98 -0.10 0.00 -0.04 0.00 0.00 33.50 31.73 1lqj n PRO 222 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1lqj s VAL 223 N 1.00 4.33 -0.65 0.52 1.01 -1.26 -4.93 120.40 120.42 1lqj s VAL 223 Ca 0.88 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.36 1lqj s VAL 223 Cb -1.03 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1lqj s VAL 223 CO 0.52 0.57 1.32 -0.76 0.00 0.00 0.00 175.10 176.75 1lqj s LEU 224 N -0.50 3.30 0.84 3.92 1.02 -1.26 -4.51 118.68 121.49 1lqj s LEU 224 Ca 0.09 -0.09 -0.12 0.00 0.02 0.00 0.00 54.13 54.03 1lqj s LEU 224 Cb -0.12 -2.84 0.10 0.00 0.02 0.00 0.00 46.19 43.36 1lqj s LEU 224 CO 0.02 -1.74 1.16 -2.16 0.02 0.00 0.00 176.35 173.65 1lqj s PRO 225 N 5.55 1.49 0.00 1.29 0.04 -1.26 -5.16 135.00 136.94 1lqj s PRO 225 Ca 0.43 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1lqj s PRO 225 Cb -0.09 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1lqj s PRO 225 CO 0.20 -2.29 0.00 0.00 0.04 0.00 0.00 177.00 174.95