#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqg s ASN 3 N 0.00 1.78 0.00 0.00 4.22 -1.26 -4.99 114.94 114.69 1lqg s ASN 3 Ca 0.00 -0.46 0.00 0.00 -2.14 0.00 0.00 52.86 50.26 1lqg s ASN 3 Cb 0.00 -0.12 0.00 0.00 1.28 0.00 0.00 41.25 42.41 1lqg s ASN 3 CO 0.00 0.05 0.00 1.21 -2.04 0.00 0.00 177.10 176.32 1lqg n GLU 4 N 1.90 0.00 0.00 3.55 4.07 -1.26 -4.85 120.64 124.05 1lqg n GLU 4 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 1lqg n GLU 4 Cb 0.54 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 1lqg n GLU 4 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1lqg n LEU 5 N 0.00 0.00 0.00 4.31 7.94 -1.26 -5.10 117.00 122.89 1lqg n LEU 5 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1lqg n LEU 5 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1lqg n LEU 5 CO 0.00 0.00 0.00 1.07 -1.11 0.00 0.00 177.39 177.35 1lqg n THR 6 N 0.00 0.00 -1.93 1.96 5.66 -1.26 -3.99 114.28 114.72 1lqg n THR 6 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1lqg n THR 6 Cb 0.00 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 1lqg n THR 6 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1lqg n TRP 7 N 0.00 0.00 0.95 1.09 5.03 -1.26 -3.84 117.44 119.41 1lqg n TRP 7 Ca 0.00 0.00 0.09 0.00 3.03 0.00 0.00 57.50 60.62 1lqg n TRP 7 Cb 0.00 0.13 0.29 0.00 -1.03 0.00 0.00 31.31 30.70 1lqg n TRP 7 CO 0.00 0.00 0.00 -2.39 -0.03 0.00 0.00 177.69 175.27 1lqg n HIS 8 N 0.00 0.36 -2.89 -5.99 1.44 -1.26 -4.02 115.22 102.86 1lqg n HIS 8 Ca 0.00 -0.18 -0.43 0.00 -2.01 0.00 0.00 57.72 55.10 1lqg n HIS 8 Cb 0.56 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.63 1lqg n HIS 8 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1lqg s ASP 9 N -1.36 6.28 0.00 4.39 -1.08 -1.26 -4.31 116.67 119.33 1lqg s ASP 9 Ca 0.31 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 1lqg s ASP 9 Cb 0.17 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 1lqg s ASP 9 CO 0.24 -1.23 0.00 0.55 0.52 0.00 0.00 175.17 175.25 1lqg n VAL 10 N 6.04 0.00 0.00 1.11 3.14 -1.26 -4.48 118.33 122.88 1lqg n VAL 10 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1lqg n VAL 10 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 1lqg n VAL 10 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1lqg n LEU 11 N 0.00 0.00 -3.27 6.55 7.99 -1.26 -1.08 117.00 125.93 1lqg n LEU 11 Ca 0.00 0.39 -0.26 0.00 -0.01 0.00 0.00 56.01 56.13 1lqg n LEU 11 Cb 0.00 -0.39 -0.07 0.00 -0.11 0.00 0.00 43.42 42.86 1lqg n LEU 11 CO 0.00 -0.39 0.03 0.00 -1.51 0.00 0.00 177.39 175.52 1lqg n ALA 12 N -1.38 3.90 0.00 -1.18 0.00 -1.26 -3.34 120.51 117.26 1lqg n ALA 12 Ca 0.00 -4.52 0.00 0.00 0.00 0.00 0.00 53.44 48.92 1lqg n ALA 12 Cb 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1lqg n ALA 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1lqg n GLU 13 N 0.63 0.00 0.06 0.00 0.00 -0.51 -4.83 120.64 115.98 1lqg n GLU 13 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.33 1lqg n GLU 13 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.79 1lqg n GLU 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1lqg h GLU 14 N 0.00 -0.21 0.00 5.31 4.39 -1.31 -2.81 114.58 119.95 1lqg h GLU 14 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1lqg h GLU 14 Cb 0.00 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1lqg h GLU 14 CO 0.00 0.23 0.30 1.17 -1.16 0.00 0.00 179.01 179.54 1lqg n LYS 15 N -4.94 0.04 -0.01 2.33 3.00 -1.21 0.19 118.16 117.57 1lqg n LYS 15 Ca -0.08 0.41 0.11 0.00 -0.00 0.00 0.00 58.31 58.74 1lqg n LYS 15 Cb 0.27 -1.93 -0.16 0.00 0.00 0.00 0.00 35.03 33.21 1lqg n LYS 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1lqg n GLN 16 N -1.63 0.58 -1.72 1.64 6.02 -1.08 -4.62 117.38 116.57 1lqg n GLN 16 Ca -0.00 -0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.41 1lqg n GLN 16 Cb 0.30 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.08 1lqg n GLN 16 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1lqg n GLN 17 N -2.14 2.05 0.06 -1.09 1.13 0.51 -4.82 117.38 113.09 1lqg n GLN 17 Ca -0.03 0.73 0.07 0.00 -1.94 0.00 0.00 57.00 55.83 1lqg n GLN 17 Cb 0.53 -2.48 0.51 0.00 0.11 0.00 0.00 30.24 28.91 1lqg n GLN 17 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1lqg h PRO 18 N 2.16 0.34 -0.44 -1.09 0.11 -1.94 -1.24 132.00 129.90 1lqg h PRO 18 Ca -0.49 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 1lqg h PRO 18 Cb 1.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1lqg h PRO 18 CO 0.60 0.22 -0.12 0.10 -0.21 0.00 0.00 178.00 178.60 1lqg h TYR 19 N 0.35 0.89 0.00 0.65 -0.00 -1.91 -1.53 116.97 115.40 1lqg h TYR 19 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 58.73 58.69 1lqg h TYR 19 Cb 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 36.73 36.60 1lqg h TYR 19 CO -0.00 0.87 -0.02 0.35 -0.00 0.00 0.00 178.16 179.37 1lqg h PHE 20 N 0.72 0.01 -0.96 0.10 3.57 -1.74 -2.35 116.94 116.30 1lqg h PHE 20 Ca 0.12 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.85 1lqg h PHE 20 Cb 0.61 -0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.22 1lqg h PHE 20 CO 0.03 0.82 0.51 -0.07 -2.23 0.00 0.00 178.31 177.37 1lqg h LEU 21 N -0.79 0.52 -0.16 0.59 4.07 -1.20 0.31 115.31 118.64 1lqg h LEU 21 Ca -0.00 0.15 -0.19 0.00 0.08 0.00 0.00 57.88 57.92 1lqg h LEU 21 Cb 0.82 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.62 1lqg h LEU 21 CO 0.00 0.04 -0.89 0.78 -1.08 0.00 0.00 178.44 177.30 1lqg h ASN 22 N 0.49 0.00 -0.14 -0.43 -0.26 -1.31 0.31 115.58 114.23 1lqg h ASN 22 Ca 0.62 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 56.28 1lqg h ASN 22 Cb 1.19 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.43 1lqg h ASN 22 CO -0.51 0.89 -0.14 0.74 -1.06 0.00 0.00 177.43 177.35 1lqg h THR 23 N 0.00 1.24 0.00 2.81 2.02 -0.14 0.04 112.91 118.88 1lqg h THR 23 Ca -0.01 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 1lqg h THR 23 Cb 1.60 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1lqg h THR 23 CO 0.12 0.35 -0.00 -0.07 0.37 0.00 0.00 175.52 176.28 1lqg h LEU 24 N 0.48 -0.00 -1.10 2.58 4.07 -0.17 -3.02 115.31 118.14 1lqg h LEU 24 Ca 0.09 -0.58 -0.06 0.00 0.08 0.00 0.00 57.88 57.41 1lqg h LEU 24 Cb 0.53 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 1lqg h LEU 24 CO 0.03 0.58 -0.06 1.56 -1.08 0.00 0.00 178.44 179.47 1lqg h GLN 25 N -0.58 0.57 0.00 1.13 4.20 -0.76 -2.17 115.11 117.51 1lqg h GLN 25 Ca -0.00 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 1lqg h GLN 25 Cb 0.58 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1lqg h GLN 25 CO 0.00 0.64 -0.41 0.00 -0.67 0.00 0.00 178.83 178.38 1lqg h THR 26 N 0.53 1.18 0.15 -0.54 1.03 -1.06 -0.36 112.91 113.84 1lqg h THR 26 Ca 0.11 -1.47 -0.21 0.00 -0.01 0.00 0.00 66.41 64.82 1lqg h THR 26 Cb 0.43 1.82 0.02 0.00 -1.07 0.00 0.00 68.15 69.35 1lqg h THR 26 CO 0.02 0.40 -0.92 0.58 -0.01 0.00 0.00 175.52 175.59 1lqg h VAL 27 N 0.00 1.46 0.06 0.00 2.07 -1.36 -3.01 116.25 115.47 1lqg h VAL 27 Ca -0.00 -2.53 0.03 0.00 0.82 0.00 0.00 66.70 65.01 1lqg h VAL 27 Cb 0.79 3.12 -0.05 0.00 -1.52 0.00 0.00 31.29 33.63 1lqg h VAL 27 CO 0.05 0.73 -0.34 0.00 0.02 0.00 0.00 177.57 178.03 1lqg h ALA 28 N 0.12 -0.54 -0.45 1.67 0.00 -1.26 -1.46 119.26 117.34 1lqg h ALA 28 Ca -0.16 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1lqg h ALA 28 Cb 1.71 0.57 -0.10 0.00 0.00 0.00 0.00 17.79 19.98 1lqg h ALA 28 CO 0.17 -0.87 -0.35 1.03 0.00 0.00 0.00 179.25 179.24 1lqg h SER 29 N -0.53 -1.16 -0.54 0.00 0.87 -1.16 -0.77 113.55 110.26 1lqg h SER 29 Ca 0.04 0.20 0.09 0.00 -1.23 0.00 0.00 61.79 60.90 1lqg h SER 29 Cb 0.58 0.54 -0.07 0.00 -0.44 0.00 0.00 62.40 63.02 1lqg h SER 29 CO -0.23 -0.32 0.14 -0.33 -0.53 0.00 0.00 176.83 175.56 1lqg h GLU 30 N -0.24 0.29 0.15 2.24 5.08 -1.33 0.61 114.58 121.37 1lqg h GLU 30 Ca 0.18 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1lqg h GLU 30 Cb 0.55 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1lqg h GLU 30 CO -0.58 0.19 -0.37 0.00 -1.00 0.00 0.00 179.01 177.25 1lqg h ARG 31 N 0.29 -0.59 -0.20 2.33 3.08 -0.09 -2.04 114.38 117.16 1lqg h ARG 31 Ca 0.27 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 1lqg h ARG 31 Cb 0.36 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1lqg h ARG 31 CO -0.33 -0.39 -0.17 -0.56 -1.07 0.00 0.00 179.97 177.45 1lqg h GLN 32 N -0.61 0.35 0.00 0.04 3.07 -0.88 -2.44 115.11 114.64 1lqg h GLN 32 Ca 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1lqg h GLN 32 Cb 0.63 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.16 1lqg h GLN 32 CO -0.20 0.52 0.00 1.03 0.09 0.00 0.00 178.83 180.27 1lqg h SER 33 N 0.32 0.00 0.00 0.06 0.87 0.86 -3.46 113.55 112.20 1lqg h SER 33 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1lqg h SER 33 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1lqg h SER 33 CO 0.03 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.94 1lqg n GLY 34 N -0.74 1.14 3.70 5.77 0.00 -0.87 -5.04 105.19 109.15 1lqg n GLY 34 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1lqg n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lqg s VAL 35 N -1.78 5.34 -0.85 1.61 0.11 -0.83 -5.02 120.40 118.98 1lqg s VAL 35 Ca 0.00 0.36 -0.24 0.00 -2.93 0.00 0.00 61.98 59.17 1lqg s VAL 35 Cb 0.00 -3.56 0.05 0.00 -1.53 0.00 0.00 36.38 31.34 1lqg s VAL 35 CO 0.00 0.38 1.28 0.28 -3.33 0.00 0.00 175.10 173.71 1lqg s THR 36 N 0.70 3.98 0.33 5.04 -1.32 -1.26 -3.85 115.64 119.25 1lqg s THR 36 Ca 0.12 -0.32 -0.27 0.00 -1.21 0.00 0.00 61.69 60.01 1lqg s THR 36 Cb -0.13 -4.92 -0.09 0.00 -1.51 0.00 0.00 72.50 65.85 1lqg s THR 36 CO 0.03 -1.80 1.02 -0.63 -2.21 0.00 0.00 174.62 171.03 1lqg s ILE 37 N 4.92 3.85 0.00 5.08 1.01 -1.26 -2.89 121.20 131.91 1lqg s ILE 37 Ca 0.37 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1lqg s ILE 37 Cb -0.06 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1lqg s ILE 37 CO 0.03 0.20 0.01 -1.22 0.00 0.00 0.00 174.94 173.96 1lqg n TYR 38 N 0.64 0.00 -1.32 3.97 4.01 -0.43 -4.63 117.16 119.41 1lqg n TYR 38 Ca 0.02 0.00 -0.57 0.00 -0.16 0.00 0.00 57.90 57.18 1lqg n TYR 38 Cb 0.48 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.41 1lqg n TYR 38 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1lqg n PRO 39 N -0.03 0.33 -1.60 -0.72 -0.02 -1.26 -4.66 135.00 127.04 1lqg n PRO 39 Ca 0.00 0.09 -0.48 0.00 -2.02 0.00 0.00 63.50 61.09 1lqg n PRO 39 Cb 0.00 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1lqg n PRO 39 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1lqg n PRO 40 N 7.65 1.39 -0.22 0.52 -0.02 -1.26 -4.35 135.00 138.71 1lqg n PRO 40 Ca 0.50 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.57 1lqg n PRO 40 Cb 0.04 -2.03 0.19 0.00 -0.02 0.00 0.00 33.50 31.68 1lqg n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lqg n GLN 41 N 1.79 -0.05 -0.30 -0.52 10.64 -1.26 0.17 117.38 127.85 1lqg n GLN 41 Ca 0.14 0.97 0.25 0.00 -1.83 0.00 0.00 57.00 56.52 1lqg n GLN 41 Cb 0.27 -1.54 0.56 0.00 -0.86 0.00 0.00 30.24 28.67 1lqg n GLN 41 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 1lqg h LYS 42 N 0.00 0.30 0.00 2.61 2.10 -1.98 -2.61 116.57 116.99 1lqg h LYS 42 Ca 0.39 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1lqg h LYS 42 Cb 0.79 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1lqg h LYS 42 CO -0.61 0.20 -1.88 -0.25 -2.00 0.00 0.00 179.45 174.90 1lqg n ASP 43 N -4.51 0.10 -0.30 7.07 10.43 0.44 -4.65 116.55 125.12 1lqg n ASP 43 Ca 0.24 0.04 0.19 0.00 2.57 0.00 0.00 54.79 57.83 1lqg n ASP 43 Cb 0.91 1.80 0.36 0.00 1.84 0.00 0.00 41.12 46.03 1lqg n ASP 43 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1lqg n VAL 44 N -2.32 -0.38 -1.25 2.53 0.31 -0.99 -1.29 118.33 114.95 1lqg n VAL 44 Ca -0.04 1.93 -0.09 0.00 -0.01 0.00 0.00 64.34 66.13 1lqg n VAL 44 Cb 0.57 -2.92 0.22 0.00 -0.91 0.00 0.00 33.84 30.80 1lqg n VAL 44 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1lqg n PHE 45 N -5.22 1.93 0.14 3.52 3.72 -1.26 -4.68 117.46 115.60 1lqg n PHE 45 Ca 0.26 -1.51 0.09 0.00 -0.05 0.00 0.00 57.45 56.24 1lqg n PHE 45 Cb 0.86 -0.65 0.59 0.00 -0.94 0.00 0.00 39.48 39.34 1lqg n PHE 45 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1lqg h ASN 46 N 1.44 0.13 -0.46 4.37 -0.26 -1.40 -2.43 115.58 116.98 1lqg h ASN 46 Ca 0.33 -0.00 0.04 0.00 -0.56 0.00 0.00 56.30 56.11 1lqg h ASN 46 Cb 2.13 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 39.33 1lqg h ASN 46 CO 0.65 0.09 0.31 0.00 -1.06 0.00 0.00 177.43 177.42 1lqg h ALA 47 N 1.88 1.86 0.06 -0.83 0.00 -1.83 -1.34 119.26 119.06 1lqg h ALA 47 Ca 0.09 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.73 1lqg h ALA 47 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1lqg h ALA 47 CO -0.01 0.07 -1.24 0.74 0.00 0.00 0.00 179.25 178.81 1lqg h PHE 48 N 0.45 0.24 0.64 0.00 0.04 -1.68 -3.14 116.94 113.50 1lqg h PHE 48 Ca 0.19 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1lqg h PHE 48 Cb 0.20 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.34 1lqg h PHE 48 CO -0.00 1.16 -0.31 -0.09 -0.60 0.00 0.00 178.31 178.47 1lqg h ARG 49 N 0.04 -0.83 -0.01 1.51 9.65 -1.27 -3.28 114.38 120.18 1lqg h ARG 49 Ca -0.12 0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1lqg h ARG 49 Cb 1.90 0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 30.67 1lqg h ARG 49 CO 0.16 -0.51 -0.08 0.74 2.80 0.00 0.00 179.97 183.08 1lqg h PHE 50 N -1.10 0.01 -3.25 2.20 0.04 -1.42 -3.41 116.94 110.02 1lqg h PHE 50 Ca -0.09 -0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.23 1lqg h PHE 50 Cb 0.70 -0.00 -0.39 0.00 2.20 0.00 0.00 35.95 38.46 1lqg h PHE 50 CO 0.00 0.09 -0.76 -0.08 -0.60 0.00 0.00 178.31 176.96 1lqg s THR 51 N -4.88 0.37 0.47 -1.55 -1.32 -1.18 -3.83 115.64 103.71 1lqg s THR 51 Ca -0.05 0.01 -0.15 0.00 -1.21 0.00 0.00 61.69 60.30 1lqg s THR 51 Cb 0.16 -0.60 -0.08 0.00 -1.51 0.00 0.00 72.50 70.47 1lqg s THR 51 CO 0.68 0.16 0.91 -0.70 -2.21 0.00 0.00 174.62 173.47 1lqg s GLU 52 N 1.97 3.92 0.25 7.08 2.56 -1.26 -4.55 118.70 128.66 1lqg s GLU 52 Ca 0.04 0.81 -0.05 0.00 0.00 0.00 0.00 54.97 55.77 1lqg s GLU 52 Cb -0.13 -2.23 0.48 0.00 2.00 0.00 0.00 34.13 34.25 1lqg s GLU 52 CO -0.06 -0.17 1.68 1.25 -0.56 0.00 0.00 175.26 177.40 1lqg h LEU 53 N 1.12 -0.02 0.00 2.70 5.85 -1.79 0.19 115.31 123.37 1lqg h LEU 53 Ca -0.47 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1lqg h LEU 53 Cb 1.18 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1lqg h LEU 53 CO 0.62 -0.06 0.00 0.61 -0.34 0.00 0.00 178.44 179.27 1lqg n GLY 54 N -1.36 -0.94 0.16 3.75 0.00 -1.26 -2.27 105.19 103.28 1lqg n GLY 54 Ca 0.15 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.17 1lqg n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lqg n ASP 55 N -1.47 1.01 -4.56 1.61 10.43 0.60 -4.96 116.55 119.22 1lqg n ASP 55 Ca 0.04 -1.01 -0.42 0.00 2.57 0.00 0.00 54.79 55.97 1lqg n ASP 55 Cb 0.15 0.68 -0.04 0.00 1.84 0.00 0.00 41.12 43.75 1lqg n ASP 55 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1lqg n VAL 56 N -0.63 0.17 -0.11 2.53 0.31 -0.69 -4.38 118.33 115.53 1lqg n VAL 56 Ca 0.04 -0.53 -0.24 0.00 -0.01 0.00 0.00 64.34 63.59 1lqg n VAL 56 Cb 0.22 -2.46 -0.11 0.00 -0.91 0.00 0.00 33.84 30.58 1lqg n VAL 56 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1lqg n LYS 57 N 8.77 0.62 -4.23 5.55 5.02 0.30 -4.86 118.16 129.32 1lqg n LYS 57 Ca 0.35 0.28 -0.20 0.00 -2.02 0.00 0.00 58.31 56.72 1lqg n LYS 57 Cb 0.44 -1.57 -0.12 0.00 -0.02 0.00 0.00 35.03 33.76 1lqg n LYS 57 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1lqg s VAL 58 N -2.49 1.32 -0.16 -0.18 1.01 -0.70 -2.14 120.40 117.06 1lqg s VAL 58 Ca -0.34 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1lqg s VAL 58 Cb 0.11 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.29 1lqg s VAL 58 CO 0.57 -0.14 -0.11 -0.69 0.00 0.00 0.00 175.10 174.73 1lqg s VAL 59 N -1.19 1.49 -0.19 2.92 1.01 0.27 0.43 120.40 125.14 1lqg s VAL 59 Ca 0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1lqg s VAL 59 Cb -0.10 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1lqg s VAL 59 CO 0.03 0.31 -0.05 -0.63 0.00 0.00 0.00 175.10 174.76 1lqg s ILE 60 N 1.49 3.57 -0.12 2.22 1.01 0.44 -0.38 121.20 129.43 1lqg s ILE 60 Ca 0.02 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.06 1lqg s ILE 60 Cb -0.14 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1lqg s ILE 60 CO -0.09 0.46 0.41 -0.22 0.00 0.00 0.00 174.94 175.49 1lqg s LEU 61 N 0.93 4.28 0.42 2.97 2.96 -1.25 -2.03 118.68 126.96 1lqg s LEU 61 Ca -0.00 0.72 0.06 0.00 -0.22 0.00 0.00 54.13 54.69 1lqg s LEU 61 Cb -0.15 -2.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.90 1lqg s LEU 61 CO 0.01 0.06 0.05 -0.83 -1.32 0.00 0.00 176.35 174.31 1lqg s GLY 62 N 0.45 2.53 0.00 7.98 0.00 0.43 -4.76 107.32 113.95 1lqg s GLY 62 Ca 0.23 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 42.90 1lqg s GLY 62 CO 0.08 -2.08 0.00 -1.06 0.00 0.00 0.00 173.10 170.05 1lqg n GLN 63 N -1.06 0.00 -4.23 2.90 6.02 -1.26 -0.49 117.38 119.26 1lqg n GLN 63 Ca -0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.78 1lqg n GLN 63 Cb 0.67 -0.01 -0.11 0.00 1.02 0.00 0.00 30.24 31.81 1lqg n GLN 63 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1lqg s ASP 64 N -1.00 1.79 0.87 1.08 -4.77 -1.26 -0.16 116.67 113.23 1lqg s ASP 64 Ca 0.00 -0.89 -0.12 0.00 -3.30 0.00 0.00 52.55 48.24 1lqg s ASP 64 Cb 0.00 -0.03 0.08 0.00 -1.09 0.00 0.00 42.92 41.88 1lqg s ASP 64 CO 0.00 -0.24 0.91 -0.81 0.70 0.00 0.00 175.17 175.72 1lqg n PRO 65 N 0.25 -0.15 -2.14 2.11 -0.04 -1.26 -4.94 135.00 128.83 1lqg n PRO 65 Ca -0.14 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 62.93 1lqg n PRO 65 Cb 0.59 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 1lqg n PRO 65 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1lqg s TYR 66 N -2.35 3.20 -1.94 0.54 2.02 -1.26 -4.83 117.35 112.74 1lqg s TYR 66 Ca 0.66 1.01 0.16 0.00 -0.37 0.00 0.00 57.07 58.53 1lqg s TYR 66 Cb -0.26 -3.70 0.46 0.00 -0.40 0.00 0.00 41.96 38.07 1lqg s TYR 66 CO 0.58 -2.36 1.38 -2.39 -1.57 0.00 0.00 175.55 171.20 1lqg n HIS 67 N 3.35 0.73 -3.91 2.71 1.44 -1.26 -4.41 115.22 113.87 1lqg n HIS 67 Ca 0.09 -0.36 -0.21 0.00 -2.01 0.00 0.00 57.72 55.24 1lqg n HIS 67 Cb 0.42 -0.02 -0.02 0.00 0.12 0.00 0.00 29.99 30.49 1lqg n HIS 67 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1lqg s GLY 68 N -0.98 1.28 0.27 -1.39 0.00 -1.26 -0.47 107.32 104.77 1lqg s GLY 68 Ca 0.35 -1.28 -0.30 0.00 0.00 0.00 0.00 44.72 43.50 1lqg s GLY 68 CO 0.23 -1.28 1.34 2.56 0.00 0.00 0.00 173.10 175.95 1lqg s PRO 69 N -4.00 4.35 0.00 2.90 0.04 -1.26 -3.65 135.00 133.38 1lqg s PRO 69 Ca 0.35 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1lqg s PRO 69 Cb -0.09 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1lqg s PRO 69 CO 0.29 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1lqg n GLY 70 N 1.68 0.51 0.05 0.56 0.00 -1.26 -4.93 105.19 101.80 1lqg n GLY 70 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1lqg n GLY 70 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1lqg h GLN 71 N 1.42 0.00 -6.92 1.61 4.20 -1.90 -3.36 115.11 110.16 1lqg h GLN 71 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1lqg h GLN 71 Cb 0.13 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.95 1lqg h GLN 71 CO 0.00 0.00 0.47 0.00 -0.67 0.00 0.00 178.83 178.63 1lqg s ALA 72 N -2.73 3.19 0.00 3.87 0.00 -1.26 -2.04 121.76 122.79 1lqg s ALA 72 Ca -0.08 0.87 0.15 0.00 0.00 0.00 0.00 51.96 52.90 1lqg s ALA 72 Cb 0.01 -3.34 0.24 0.00 0.00 0.00 0.00 23.12 20.04 1lqg s ALA 72 CO 0.11 -0.36 1.06 -2.39 0.00 0.00 0.00 175.76 174.19 1lqg n HIS 73 N 0.26 0.00 0.00 0.00 1.44 -1.26 -4.78 115.22 110.88 1lqg n HIS 73 Ca 0.03 -0.37 0.00 0.00 -2.01 0.00 0.00 57.72 55.37 1lqg n HIS 73 Cb 0.47 0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.59 1lqg n HIS 73 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1lqg n GLY 74 N 0.28 1.56 3.65 -1.39 0.00 -1.26 -4.80 105.19 103.24 1lqg n GLY 74 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1lqg n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lqg s LEU 75 N 0.00 3.26 0.62 0.99 1.43 -1.26 -3.40 118.68 120.31 1lqg s LEU 75 Ca 0.00 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 1lqg s LEU 75 Cb 0.00 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1lqg s LEU 75 CO 0.00 0.10 1.06 0.00 0.23 0.00 0.00 176.35 177.74 1lqg s ALA 76 N -1.69 2.72 0.00 4.21 0.00 -0.99 -4.00 121.76 122.02 1lqg s ALA 76 Ca 0.27 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1lqg s ALA 76 Cb -0.09 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1lqg s ALA 76 CO 0.18 -0.91 0.00 1.19 0.00 0.00 0.00 175.76 176.22 1lqg n PHE 77 N -2.29 0.00 -2.23 0.00 3.72 -1.26 -4.87 117.46 110.53 1lqg n PHE 77 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 1lqg n PHE 77 Cb 0.53 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 1lqg n PHE 77 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1lqg s SER 78 N 0.00 6.90 0.35 4.37 0.15 -1.26 -4.87 113.70 119.35 1lqg s SER 78 Ca 0.00 2.35 0.09 0.00 0.70 0.00 0.00 55.95 59.08 1lqg s SER 78 Cb 0.00 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.65 1lqg s SER 78 CO 0.00 -0.54 0.02 0.68 1.20 0.00 0.00 173.24 174.60 1lqg s VAL 79 N 0.40 2.57 0.63 4.45 -7.23 0.03 -4.31 120.40 116.94 1lqg s VAL 79 Ca 0.58 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 58.62 1lqg s VAL 79 Cb -0.36 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.76 1lqg s VAL 79 CO 0.36 -0.18 1.18 -0.13 -0.31 0.00 0.00 175.10 176.01 1lqg s ARG 80 N -3.72 2.80 0.52 4.82 0.52 -0.87 -2.99 118.95 120.03 1lqg s ARG 80 Ca 0.35 1.69 0.17 0.00 -0.52 0.00 0.00 55.73 57.43 1lqg s ARG 80 Cb 0.01 -1.92 0.59 0.00 0.52 0.00 0.00 34.95 34.14 1lqg s ARG 80 CO 0.19 -1.31 1.03 -2.30 0.02 0.00 0.00 175.30 172.94 1lqg n PRO 81 N -1.97 0.02 0.00 3.54 -0.02 -1.26 -1.24 135.00 134.07 1lqg n PRO 81 Ca 0.13 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1lqg n PRO 81 Cb 0.50 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1lqg n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lqg n GLY 82 N -1.52 -0.41 3.88 -1.23 0.00 -1.26 -4.76 105.19 99.90 1lqg n GLY 82 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1lqg n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lqg s ILE 83 N -0.21 3.79 0.09 -0.61 1.09 -0.37 -5.01 121.20 119.97 1lqg s ILE 83 Ca 0.00 0.50 -0.30 0.00 -1.10 0.00 0.00 60.65 59.75 1lqg s ILE 83 Cb 0.00 -3.57 -0.06 0.00 -1.06 0.00 0.00 42.46 37.78 1lqg s ILE 83 CO 0.00 -0.72 1.10 0.00 -0.10 0.00 0.00 174.94 175.22 1lqg s ALA 84 N -3.27 3.32 -0.25 9.38 0.00 -1.26 -4.54 121.76 125.14 1lqg s ALA 84 Ca 0.57 0.75 -0.28 0.00 0.00 0.00 0.00 51.96 53.00 1lqg s ALA 84 Cb -0.11 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1lqg s ALA 84 CO 0.51 -0.28 2.25 -0.89 0.00 0.00 0.00 175.76 177.35 1lqg n ILE 85 N 3.32 0.29 -1.27 0.00 5.41 -1.26 -4.93 119.36 120.92 1lqg n ILE 85 Ca 0.06 -0.49 -0.36 0.00 1.00 0.00 0.00 62.75 62.96 1lqg n ILE 85 Cb 0.47 -2.56 0.08 0.00 -0.71 0.00 0.00 39.64 36.93 1lqg n ILE 85 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1lqg n PRO 86 N 8.78 0.36 -0.25 0.38 -0.02 -1.26 -4.60 135.00 138.38 1lqg n PRO 86 Ca 0.31 0.17 0.05 0.00 -2.02 0.00 0.00 63.50 62.01 1lqg n PRO 86 Cb 0.45 -2.02 0.15 0.00 -0.02 0.00 0.00 33.50 32.06 1lqg n PRO 86 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1lqg h PRO 87 N -0.39 0.10 -0.41 0.52 0.11 -1.99 -0.85 132.00 129.10 1lqg h PRO 87 Ca -0.46 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1lqg h PRO 87 Cb 1.34 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 1lqg h PRO 87 CO 0.44 0.07 -0.17 0.77 -0.21 0.00 0.00 178.00 178.90 1lqg h SER 88 N 0.11 0.78 -0.15 -2.05 0.02 -1.90 -0.57 113.55 109.79 1lqg h SER 88 Ca 0.40 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1lqg h SER 88 Cb 0.70 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1lqg h SER 88 CO -0.65 0.95 -0.05 0.25 -1.14 0.00 0.00 176.83 176.20 1lqg h LEU 89 N 0.69 0.30 -0.84 5.07 5.85 -1.75 0.08 115.31 124.72 1lqg h LEU 89 Ca 0.10 -0.38 0.16 0.00 0.84 0.00 0.00 57.88 58.61 1lqg h LEU 89 Cb 0.67 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.52 1lqg h LEU 89 CO 0.05 0.61 0.40 0.25 -0.34 0.00 0.00 178.44 179.41 1lqg h LEU 90 N -0.01 0.43 -0.86 2.25 5.85 -0.96 0.18 115.31 122.20 1lqg h LEU 90 Ca 0.04 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 1lqg h LEU 90 Cb 0.49 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1lqg h LEU 90 CO 0.02 0.15 -0.30 0.78 -0.34 0.00 0.00 178.44 178.75 1lqg h ASN 91 N 0.54 0.51 -0.45 1.25 -0.26 -0.77 -2.07 115.58 114.32 1lqg h ASN 91 Ca 0.47 -0.19 -0.06 0.00 -0.56 0.00 0.00 56.30 55.96 1lqg h ASN 91 Cb 0.74 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.83 1lqg h ASN 91 CO -0.41 0.79 0.07 0.24 -1.06 0.00 0.00 177.43 177.06 1lqg h MET 92 N 0.43 0.82 -0.62 0.81 2.86 0.13 -2.11 114.93 117.25 1lqg h MET 92 Ca 0.06 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 1lqg h MET 92 Cb 0.74 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1lqg h MET 92 CO 0.06 0.78 0.01 1.88 1.06 0.00 0.00 176.91 180.70 1lqg h TYR 93 N 0.78 1.17 -0.18 -0.22 0.99 -0.65 -1.21 116.97 117.66 1lqg h TYR 93 Ca 0.16 -0.20 0.05 0.00 2.00 0.00 0.00 58.73 60.74 1lqg h TYR 93 Cb 0.37 -0.31 -0.05 0.00 1.00 0.00 0.00 36.73 37.74 1lqg h TYR 93 CO 0.02 1.02 -0.16 0.87 -0.00 0.00 0.00 178.16 179.91 1lqg h LYS 94 N 0.99 -0.18 0.49 4.88 1.57 -0.74 1.98 116.57 125.56 1lqg h LYS 94 Ca 0.18 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1lqg h LYS 94 Cb 0.55 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1lqg h LYS 94 CO 0.03 -0.12 -0.26 0.93 -0.57 0.00 0.00 179.45 179.46 1lqg h GLU 95 N -0.18 -0.67 -0.64 3.15 4.39 -1.26 -1.88 114.58 117.48 1lqg h GLU 95 Ca 0.11 0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.99 1lqg h GLU 95 Cb 0.35 0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 29.06 1lqg h GLU 95 CO -0.29 -0.45 0.12 -0.07 -1.16 0.00 0.00 179.01 177.17 1lqg h LEU 96 N -0.70 -0.04 -1.66 1.33 4.07 -0.52 1.48 115.31 119.28 1lqg h LEU 96 Ca -0.06 0.13 0.04 0.00 0.08 0.00 0.00 57.88 58.07 1lqg h LEU 96 Cb 0.55 0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 1lqg h LEU 96 CO 0.09 -0.02 0.30 -0.08 -1.08 0.00 0.00 178.44 177.65 1lqg h GLU 97 N 0.24 0.43 0.01 1.13 4.81 0.34 -2.38 114.58 119.16 1lqg h GLU 97 Ca 0.35 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 59.19 1lqg h GLU 97 Cb 0.55 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 1lqg h GLU 97 CO -0.45 0.28 -2.21 0.09 -0.73 0.00 0.00 179.01 175.98 1lqg n ASN 98 N -4.48 0.82 0.12 1.04 3.02 0.49 -4.60 115.26 111.67 1lqg n ASN 98 Ca 0.05 0.09 -0.21 0.00 -0.03 0.00 0.00 54.58 54.48 1lqg n ASN 98 Cb 0.20 0.28 -0.15 0.00 -0.61 0.00 0.00 39.78 39.49 1lqg n ASN 98 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lqg h THR 99 N 0.01 1.33 -3.37 3.41 1.03 0.19 -3.43 112.91 112.08 1lqg h THR 99 Ca -0.48 -2.83 -0.72 0.00 -0.01 0.00 0.00 66.41 62.36 1lqg h THR 99 Cb 2.10 2.97 -0.28 0.00 -1.07 0.00 0.00 68.15 71.87 1lqg h THR 99 CO 0.02 0.85 -0.42 -0.51 -0.01 0.00 0.00 175.52 175.45 1lqg s ILE 100 N -2.62 4.29 -0.21 0.00 2.07 -0.90 -4.91 121.20 118.92 1lqg s ILE 100 Ca -0.08 -1.56 0.00 0.00 -1.41 0.00 0.00 60.65 57.60 1lqg s ILE 100 Cb 0.05 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.93 1lqg s ILE 100 CO 0.91 -0.64 0.00 -2.65 -1.91 0.00 0.00 174.94 170.65 1lqg n PRO 101 N 4.93 0.00 0.00 3.50 -0.02 -1.26 -1.21 135.00 140.94 1lqg n PRO 101 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1lqg n PRO 101 Cb 0.42 -0.75 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 1lqg n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lqg n GLY 102 N 0.39 0.41 3.75 -1.23 0.00 -1.26 -5.11 105.19 102.14 1lqg n GLY 102 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1lqg n GLY 102 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lqg s PHE 103 N 0.00 3.23 0.00 1.61 2.19 -0.35 -5.01 117.98 119.64 1lqg s PHE 103 Ca 0.00 1.37 0.00 0.00 0.33 0.00 0.00 56.93 58.63 1lqg s PHE 103 Cb 0.00 -3.58 0.00 0.00 -1.31 0.00 0.00 43.02 38.13 1lqg s PHE 103 CO 0.00 -1.66 0.00 -2.37 1.83 0.00 0.00 175.22 173.02 1lqg n THR 104 N 1.68 0.00 0.00 0.12 5.66 -1.26 -4.82 114.28 115.66 1lqg n THR 104 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1lqg n THR 104 Cb 0.43 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 1lqg n THR 104 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1lqg n ARG 105 N 0.00 0.00 -0.39 1.09 0.63 -1.26 -4.69 116.66 112.04 1lqg n ARG 105 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 1lqg n ARG 105 Cb 0.00 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.95 1lqg n ARG 105 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1lqg n PRO 106 N 0.00 -0.23 -3.04 -0.14 -0.04 -1.26 -5.02 135.00 125.28 1lqg n PRO 106 Ca 0.00 -0.40 -0.23 0.00 -0.04 0.00 0.00 63.50 62.82 1lqg n PRO 106 Cb 0.00 -0.26 -0.04 0.00 -0.04 0.00 0.00 33.50 33.16 1lqg n PRO 106 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1lqg n ASN 107 N -3.16 3.01 0.00 3.54 6.94 -1.26 -5.02 115.26 119.31 1lqg n ASN 107 Ca 0.03 -3.41 0.00 0.00 -0.02 0.00 0.00 54.58 51.18 1lqg n ASN 107 Cb 0.11 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 36.95 1lqg n ASN 107 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1lqg n HIS 108 N -0.04 0.00 -1.34 -2.53 1.44 -1.26 -4.96 115.22 106.52 1lqg n HIS 108 Ca 0.29 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.73 1lqg n HIS 108 Cb 0.50 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.74 1lqg n HIS 108 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1lqg n GLY 109 N -0.28 5.25 3.55 -1.39 0.00 -1.26 -4.94 105.19 106.12 1lqg n GLY 109 Ca 0.00 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 1lqg n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lqg s TYR 110 N -3.54 3.00 -0.30 1.61 5.04 -1.16 -0.79 117.35 121.21 1lqg s TYR 110 Ca 0.59 0.24 0.11 0.00 -2.44 0.00 0.00 57.07 55.57 1lqg s TYR 110 Cb 0.48 -3.65 0.71 0.00 0.35 0.00 0.00 41.96 39.85 1lqg s TYR 110 CO 0.04 -0.96 1.73 1.28 -1.34 0.00 0.00 175.55 176.31 1lqg n LEU 111 N 6.71 5.65 0.07 6.97 4.77 -1.26 -4.53 117.00 135.38 1lqg n LEU 111 Ca 0.03 -3.23 0.18 0.00 -0.03 0.00 0.00 56.01 52.95 1lqg n LEU 111 Cb 0.48 -0.71 0.71 0.00 -2.33 0.00 0.00 43.42 41.57 1lqg n LEU 111 CO 0.59 0.82 1.16 -0.08 -1.33 0.00 0.00 177.39 178.55 1lqg h GLU 112 N 2.50 0.00 -0.64 3.23 4.81 -1.93 -0.08 114.58 122.47 1lqg h GLU 112 Ca 0.22 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1lqg h GLU 112 Cb 2.16 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.48 1lqg h GLU 112 CO 0.64 0.00 0.33 0.77 -0.73 0.00 0.00 179.01 180.02 1lqg h SER 113 N 0.00 0.46 -0.53 1.04 0.02 -1.86 -1.20 113.55 111.49 1lqg h SER 113 Ca 0.19 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1lqg h SER 113 Cb 0.80 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 1lqg h SER 113 CO -0.00 0.29 -0.11 -0.50 -1.14 0.00 0.00 176.83 175.37 1lqg h TRP 114 N 0.60 1.15 0.20 3.45 4.06 -1.33 -3.18 115.95 120.91 1lqg h TRP 114 Ca 0.30 -0.24 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 1lqg h TRP 114 Cb 0.24 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.11 1lqg h TRP 114 CO -0.10 1.06 -0.10 0.00 -3.56 0.00 0.00 178.44 175.75 1lqg h ALA 115 N 0.94 -0.27 0.00 1.49 0.00 -0.96 -2.47 119.26 117.99 1lqg h ALA 115 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1lqg h ALA 115 Cb 0.68 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1lqg h ALA 115 CO 0.05 -0.62 0.00 0.54 0.00 0.00 0.00 179.25 179.22 1lqg n ARG 116 N -5.18 0.32 -0.16 0.00 1.74 -0.55 -1.64 116.66 111.19 1lqg n ARG 116 Ca -0.09 0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.19 1lqg n ARG 116 Cb 0.15 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.28 1lqg n ARG 116 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1lqg n GLN 117 N -1.15 2.46 -0.09 5.56 6.02 -1.01 -4.95 117.38 124.22 1lqg n GLN 117 Ca 0.09 -2.22 0.00 0.00 -0.01 0.00 0.00 57.00 54.85 1lqg n GLN 117 Cb 0.08 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.84 1lqg n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1lqg n GLY 118 N 1.45 0.95 3.49 1.08 0.00 -0.65 -4.78 105.19 106.74 1lqg n GLY 118 Ca 0.18 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1lqg n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lqg s VAL 119 N -2.00 4.76 -0.11 1.61 1.01 -0.97 0.11 120.40 124.82 1lqg s VAL 119 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 1lqg s VAL 119 Cb 0.00 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1lqg s VAL 119 CO 0.00 -0.77 0.96 -0.22 0.00 0.00 0.00 175.10 175.07 1lqg s LEU 120 N 2.96 4.25 -0.69 3.92 2.96 0.17 -4.12 118.68 128.13 1lqg s LEU 120 Ca 0.21 1.46 -0.02 0.00 -0.22 0.00 0.00 54.13 55.57 1lqg s LEU 120 Cb -0.16 -3.47 0.17 0.00 0.50 0.00 0.00 46.19 43.24 1lqg s LEU 120 CO 0.17 -0.40 0.51 -0.76 -1.32 0.00 0.00 176.35 174.54 1lqg s LEU 121 N 1.88 5.22 -0.21 -0.68 1.43 -1.26 -0.42 118.68 124.64 1lqg s LEU 121 Ca 0.46 -3.14 -0.08 0.00 -1.03 0.00 0.00 54.13 50.34 1lqg s LEU 121 Cb -0.18 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1lqg s LEU 121 CO 0.18 -0.30 0.08 -0.22 0.23 0.00 0.00 176.35 176.33 1lqg s LEU 122 N -0.48 3.80 0.40 1.79 2.96 -0.86 -2.33 118.68 123.94 1lqg s LEU 122 Ca 0.20 0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 54.03 1lqg s LEU 122 Cb -0.17 -1.99 -0.06 0.00 0.50 0.00 0.00 46.19 44.47 1lqg s LEU 122 CO -0.06 0.11 0.76 0.20 -1.32 0.00 0.00 176.35 176.03 1lqg s ASN 123 N 0.78 6.53 0.15 3.68 0.01 -1.26 0.16 114.94 125.00 1lqg s ASN 123 Ca 0.04 1.11 0.24 0.00 -0.71 0.00 0.00 52.86 53.55 1lqg s ASN 123 Cb -0.13 -2.31 0.31 0.00 0.41 0.00 0.00 41.25 39.53 1lqg s ASN 123 CO 0.02 -0.38 1.31 0.71 -1.51 0.00 0.00 177.10 177.25 1lqg h THR 124 N 1.14 0.00 -3.39 1.60 1.35 0.21 -3.43 112.91 110.39 1lqg h THR 124 Ca -0.47 -0.60 -0.46 0.00 -0.55 0.00 0.00 66.41 64.33 1lqg h THR 124 Cb 1.19 1.21 -0.35 0.00 -1.73 0.00 0.00 68.15 68.47 1lqg h THR 124 CO 0.64 0.00 -0.79 0.54 -0.25 0.00 0.00 175.52 175.66 1lqg s VAL 125 N -3.20 0.79 -1.10 6.82 0.11 -0.76 -3.28 120.40 119.78 1lqg s VAL 125 Ca 0.05 -0.24 0.27 0.00 -2.93 0.00 0.00 61.98 59.14 1lqg s VAL 125 Cb 0.12 -0.79 0.18 0.00 -1.53 0.00 0.00 36.38 34.37 1lqg s VAL 125 CO 0.72 0.29 1.71 0.18 -3.33 0.00 0.00 175.10 174.68 1lqg n LEU 126 N 4.19 0.27 -4.17 2.54 4.77 -1.26 -4.21 117.00 119.14 1lqg n LEU 126 Ca -0.21 0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1lqg n LEU 126 Cb 0.51 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1lqg n LEU 126 CO 0.22 0.06 -0.28 0.42 -1.33 0.00 0.00 177.39 176.48 1lqg s THR 127 N -2.92 0.12 -0.06 -5.08 -4.23 -1.26 -4.77 115.64 97.44 1lqg s THR 127 Ca 0.15 -1.94 -0.24 0.00 -1.18 0.00 0.00 61.69 58.49 1lqg s THR 127 Cb 0.19 -2.17 0.05 0.00 1.34 0.00 0.00 72.50 71.91 1lqg s THR 127 CO 0.59 -0.35 0.53 0.54 -0.54 0.00 0.00 174.62 175.40 1lqg s VAL 128 N -4.05 0.02 0.19 2.29 0.11 -1.26 -4.55 120.40 113.15 1lqg s VAL 128 Ca 0.28 -0.17 -0.22 0.00 -2.93 0.00 0.00 61.98 58.94 1lqg s VAL 128 Cb 0.07 -0.84 -0.08 0.00 -1.53 0.00 0.00 36.38 34.01 1lqg s VAL 128 CO 0.05 -0.09 0.74 -0.13 -3.33 0.00 0.00 175.10 172.33 1lqg s ARG 129 N -1.05 4.39 0.09 1.54 0.52 -1.26 -1.31 118.95 121.87 1lqg s ARG 129 Ca -0.10 1.00 -0.37 0.00 -0.52 0.00 0.00 55.73 55.74 1lqg s ARG 129 Cb -0.02 -3.07 -0.17 0.00 0.52 0.00 0.00 34.95 32.21 1lqg s ARG 129 CO 0.07 0.49 1.30 0.00 0.02 0.00 0.00 175.30 177.17 1lqg n ALA 130 N 1.18 -1.22 -0.70 2.13 0.00 -1.14 -0.63 120.51 120.13 1lqg n ALA 130 Ca -0.04 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1lqg n ALA 130 Cb 0.50 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1lqg n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqg n GLY 131 N 2.38 0.00 2.85 0.00 0.00 0.38 -4.89 105.19 105.90 1lqg n GLY 131 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1lqg n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lqg s GLN 132 N -1.41 2.16 0.35 1.61 -0.21 0.20 -5.09 119.66 117.27 1lqg s GLN 132 Ca 0.00 -3.02 -0.27 0.00 0.02 0.00 0.00 55.36 52.09 1lqg s GLN 132 Cb 0.00 -3.14 -0.12 0.00 1.00 0.00 0.00 33.01 30.75 1lqg s GLN 132 CO 0.00 -1.26 1.13 0.00 -2.12 0.00 0.00 175.29 173.04 1lqg n ALA 133 N 2.35 0.54 -1.29 6.09 0.00 -1.26 -2.17 120.51 124.76 1lqg n ALA 133 Ca 0.17 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 1lqg n ALA 133 Cb 0.36 -2.14 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 1lqg n ALA 133 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1lqg n HIS 134 N 0.06 -0.02 0.25 0.00 -0.00 -1.26 -4.86 115.22 109.39 1lqg n HIS 134 Ca 0.07 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.91 1lqg n HIS 134 Cb 0.36 -2.72 0.62 0.00 -0.00 0.00 0.00 29.99 28.25 1lqg n HIS 134 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1lqg h SER 135 N 0.00 0.00 -0.51 0.26 4.64 -1.79 -3.01 113.55 113.14 1lqg h SER 135 Ca -0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1lqg h SER 135 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1lqg h SER 135 CO 0.32 0.16 0.01 1.41 -0.87 0.00 0.00 176.83 177.86 1lqg n HIS 136 N -3.52 1.83 0.90 4.77 8.25 -1.26 -4.59 115.22 121.60 1lqg n HIS 136 Ca -0.01 -0.79 0.00 0.00 -0.26 0.00 0.00 57.72 56.66 1lqg n HIS 136 Cb 0.32 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.95 1lqg n HIS 136 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lqg n ALA 137 N 0.31 2.35 -0.69 -1.41 0.00 -1.14 -3.19 120.51 116.74 1lqg n ALA 137 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1lqg n ALA 137 Cb 1.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1lqg n ALA 137 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1lqg n SER 138 N 0.07 0.65 0.02 0.00 7.64 -1.26 -4.83 113.62 115.91 1lqg n SER 138 Ca 0.00 -1.33 -0.12 0.00 1.01 0.00 0.00 58.87 58.43 1lqg n SER 138 Cb 0.23 -0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.29 1lqg n SER 138 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1lqg h LEU 139 N 0.00 0.15 0.00 -3.43 4.07 -1.92 -3.48 115.31 110.70 1lqg h LEU 139 Ca 0.00 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1lqg h LEU 139 Cb 0.84 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.53 1lqg h LEU 139 CO 0.00 1.21 0.00 0.61 -1.08 0.00 0.00 178.44 179.18 1lqg n GLY 140 N 1.59 1.61 0.20 0.83 0.00 -1.26 -4.44 105.19 103.72 1lqg n GLY 140 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1lqg n GLY 140 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1lqg h TRP 141 N 0.00 0.79 0.14 1.61 -0.00 -1.86 -3.17 115.95 113.46 1lqg h TRP 141 Ca 0.00 -0.34 0.01 0.00 -0.00 0.00 0.00 58.89 58.56 1lqg h TRP 141 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.01 1lqg h TRP 141 CO 0.00 1.12 -0.20 1.49 -0.00 0.00 0.00 178.44 180.86 1lqg h GLU 142 N 0.42 -0.38 -0.28 0.49 4.57 -1.93 0.82 114.58 118.29 1lqg h GLU 142 Ca -0.03 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1lqg h GLU 142 Cb 1.30 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.97 1lqg h GLU 142 CO 0.14 -0.25 0.18 0.00 -1.18 0.00 0.00 179.01 177.90 1lqg h THR 143 N -0.39 1.07 0.08 0.32 1.03 -1.88 0.21 112.91 113.35 1lqg h THR 143 Ca 0.02 -0.13 -0.00 0.00 -0.01 0.00 0.00 66.41 66.29 1lqg h THR 143 Cb 0.40 0.66 0.00 0.00 -1.07 0.00 0.00 68.15 68.14 1lqg h THR 143 CO -0.09 0.07 -0.04 0.15 -0.01 0.00 0.00 175.52 175.60 1lqg h PHE 144 N 0.37 -0.10 -0.29 0.00 3.57 -1.42 -2.47 116.94 116.60 1lqg h PHE 144 Ca 0.10 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.68 1lqg h PHE 144 Cb -0.04 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1lqg h PHE 144 CO -0.00 0.35 0.21 1.15 -2.23 0.00 0.00 178.31 177.78 1lqg h THR 145 N -0.59 0.87 -0.27 4.41 2.02 -0.31 -0.23 112.91 118.81 1lqg h THR 145 Ca -0.01 -0.01 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 1lqg h THR 145 Cb 0.49 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1lqg h THR 145 CO 0.02 0.00 -0.35 0.44 0.37 0.00 0.00 175.52 176.01 1lqg h ASP 146 N 0.03 0.76 0.13 4.18 3.45 -0.46 -2.72 116.42 121.79 1lqg h ASP 146 Ca 0.14 -0.50 0.02 0.00 0.43 0.00 0.00 57.03 57.12 1lqg h ASP 146 Cb 0.52 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 39.04 1lqg h ASP 146 CO -0.01 1.11 -0.27 0.50 -1.57 0.00 0.00 179.24 179.01 1lqg h LYS 147 N 0.44 -0.47 -0.69 3.56 1.63 -0.58 0.41 116.57 120.87 1lqg h LYS 147 Ca 0.03 0.03 0.12 0.00 -0.85 0.00 0.00 60.65 59.98 1lqg h LYS 147 Cb 0.93 0.11 -0.13 0.00 -0.60 0.00 0.00 32.23 32.54 1lqg h LYS 147 CO 0.08 -0.32 -0.34 0.28 -3.45 0.00 0.00 179.45 175.71 1lqg h VAL 148 N -0.49 0.14 -0.78 2.00 2.07 -1.33 0.69 116.25 118.55 1lqg h VAL 148 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1lqg h VAL 148 Cb 0.51 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1lqg h VAL 148 CO -0.15 0.00 0.37 0.40 0.02 0.00 0.00 177.57 178.21 1lqg h ILE 149 N -0.12 1.25 -0.26 4.57 2.04 -1.28 0.81 117.51 124.51 1lqg h ILE 149 Ca 0.26 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1lqg h ILE 149 Cb 0.56 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1lqg h ILE 149 CO -0.75 0.29 0.16 -1.28 0.00 0.00 0.00 178.15 176.57 1lqg h SER 150 N 1.10 0.27 -0.64 1.72 0.87 0.24 -1.23 113.55 115.88 1lqg h SER 150 Ca 0.27 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1lqg h SER 150 Cb 0.12 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 1lqg h SER 150 CO -0.03 0.20 0.15 -0.07 -0.53 0.00 0.00 176.83 176.55 1lqg h LEU 151 N 0.34 1.00 -0.91 2.23 4.07 0.24 0.12 115.31 122.38 1lqg h LEU 151 Ca 0.10 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 1lqg h LEU 151 Cb -0.02 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 41.41 1lqg h LEU 151 CO -0.04 0.96 0.56 0.40 -1.08 0.00 0.00 178.44 179.25 1lqg h ILE 152 N 1.00 1.25 -0.05 1.22 2.04 -0.38 0.48 117.51 123.07 1lqg h ILE 152 Ca 0.21 -0.52 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 1lqg h ILE 152 Cb 0.37 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1lqg h ILE 152 CO 0.00 0.25 -0.49 -1.13 0.00 0.00 0.00 178.15 176.79 1lqg h ASN 153 N 1.25 0.12 0.01 1.72 -0.73 -0.70 -1.18 115.58 116.07 1lqg h ASN 153 Ca 0.33 -0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.44 1lqg h ASN 153 Cb -0.07 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.48 1lqg h ASN 153 CO -0.06 0.59 -0.00 1.56 -0.37 0.00 0.00 177.43 179.15 1lqg h GLN 154 N 0.09 -0.01 -0.49 6.67 1.08 -0.11 -3.39 115.11 118.95 1lqg h GLN 154 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1lqg h GLN 154 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1lqg h GLN 154 CO 0.07 0.80 0.00 0.72 -0.95 0.00 0.00 178.83 179.47 1lqg n HIS 155 N -4.66 0.65 -4.14 2.96 8.25 0.16 -4.96 115.22 113.48 1lqg n HIS 155 Ca -0.08 -0.33 -0.10 0.00 -0.26 0.00 0.00 57.72 56.95 1lqg n HIS 155 Cb 0.39 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.40 1lqg n HIS 155 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1lqg s ARG 156 N -1.35 0.75 0.03 -0.41 1.81 -0.45 -5.02 118.95 114.31 1lqg s ARG 156 Ca 0.36 -1.26 0.06 0.00 -1.72 0.00 0.00 55.73 53.18 1lqg s ARG 156 Cb 0.19 -0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.57 1lqg s ARG 156 CO 0.25 -0.04 -0.19 -2.00 -0.68 0.00 0.00 175.30 172.65 1lqg s GLU 157 N -3.66 1.36 -1.54 3.54 2.12 -1.26 -4.75 118.70 114.50 1lqg s GLU 157 Ca 0.09 -0.83 -0.05 0.00 0.36 0.00 0.00 54.97 54.53 1lqg s GLU 157 Cb 0.05 -1.41 0.01 0.00 0.26 0.00 0.00 34.13 33.04 1lqg s GLU 157 CO -0.06 0.37 0.64 0.41 -0.54 0.00 0.00 175.26 176.08 1lqg n GLY 158 N 2.08 -0.52 3.85 -1.50 0.00 -0.04 -5.00 105.19 104.05 1lqg n GLY 158 Ca -0.17 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1lqg n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lqg s VAL 159 N -3.18 4.68 -0.18 1.61 1.01 -1.26 -4.74 120.40 118.35 1lqg s VAL 159 Ca 0.33 0.96 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 1lqg s VAL 159 Cb -0.15 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1lqg s VAL 159 CO 0.41 -0.14 0.19 -0.69 0.00 0.00 0.00 175.10 174.87 1lqg s VAL 160 N -1.93 5.37 -0.45 2.92 1.01 -0.91 -0.74 120.40 125.67 1lqg s VAL 160 Ca 0.53 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 1lqg s VAL 160 Cb -0.11 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.86 1lqg s VAL 160 CO 0.18 0.44 0.27 -0.36 0.00 0.00 0.00 175.10 175.62 1lqg s PHE 161 N 0.27 3.54 -1.00 5.22 0.40 0.34 0.97 117.98 127.73 1lqg s PHE 161 Ca 0.12 -2.37 -0.22 0.00 -0.60 0.00 0.00 56.93 53.86 1lqg s PHE 161 Cb -0.12 -3.27 0.07 0.00 0.51 0.00 0.00 43.02 40.21 1lqg s PHE 161 CO 0.01 -0.96 1.36 -0.51 0.70 0.00 0.00 175.22 175.82 1lqg s LEU 162 N 1.00 3.97 -0.22 -0.37 1.02 0.49 -2.32 118.68 122.25 1lqg s LEU 162 Ca 0.09 -1.65 -0.17 0.00 0.02 0.00 0.00 54.13 52.43 1lqg s LEU 162 Cb -0.23 -2.52 -0.03 0.00 0.02 0.00 0.00 46.19 43.43 1lqg s LEU 162 CO -0.04 -1.37 0.45 -0.76 0.02 0.00 0.00 176.35 174.65 1lqg s LEU 163 N 4.27 4.12 0.03 1.79 1.43 -0.28 -3.86 118.68 126.18 1lqg s LEU 163 Ca 0.42 0.53 0.08 0.00 -1.03 0.00 0.00 54.13 54.13 1lqg s LEU 163 Cb -0.01 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1lqg s LEU 163 CO -0.10 -0.15 -0.24 0.26 0.23 0.00 0.00 176.35 176.35 1lqg s TRP 164 N 1.67 2.08 0.11 0.29 0.51 -1.26 -1.87 118.94 120.48 1lqg s TRP 164 Ca 0.20 -0.39 0.00 0.00 -2.12 0.00 0.00 56.10 53.79 1lqg s TRP 164 Cb -0.15 -1.26 0.00 0.00 -0.81 0.00 0.00 33.47 31.25 1lqg s TRP 164 CO 0.09 0.08 0.00 0.41 -0.51 0.00 0.00 176.95 177.02 1lqg n GLY 165 N 1.94 -3.26 0.34 0.98 0.00 -0.64 -3.68 105.19 100.87 1lqg n GLY 165 Ca -0.17 -1.11 0.17 0.00 0.00 0.00 0.00 46.02 44.92 1lqg n GLY 165 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1lqg h SER 166 N 0.27 0.00 -0.09 1.61 0.87 -1.86 0.58 113.55 114.93 1lqg h SER 166 Ca 0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 1lqg h SER 166 Cb 0.04 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1lqg h SER 166 CO 0.00 0.00 -0.77 -0.74 -0.53 0.00 0.00 176.83 174.79 1lqg h HIS 167 N 0.00 0.94 0.00 2.24 -0.00 -1.99 -3.31 115.15 113.03 1lqg h HIS 167 Ca 0.11 -0.45 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 1lqg h HIS 167 Cb 0.58 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1lqg h HIS 167 CO 0.00 1.27 -0.38 0.00 -0.00 0.00 0.00 177.93 178.82 1lqg h ALA 168 N 0.47 0.00 -2.58 5.26 0.00 -1.62 -2.56 119.26 118.22 1lqg h ALA 168 Ca -0.07 -0.38 -0.56 0.00 0.00 0.00 0.00 54.91 53.90 1lqg h ALA 168 Cb 1.42 0.38 0.18 0.00 0.00 0.00 0.00 17.79 19.77 1lqg h ALA 168 CO 0.16 0.38 -0.09 0.00 0.00 0.00 0.00 179.25 179.70 1lqg n GLN 169 N -4.63 0.39 0.00 0.00 10.64 0.17 -2.98 117.38 120.97 1lqg n GLN 169 Ca -0.05 0.18 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 1lqg n GLN 169 Cb 0.20 -2.07 0.00 0.00 -0.86 0.00 0.00 30.24 27.50 1lqg n GLN 169 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1lqg n LYS 170 N -1.50 0.00 0.00 2.61 3.00 -1.26 -4.18 118.16 116.83 1lqg n LYS 170 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1lqg n LYS 170 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1lqg n LYS 170 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1lqg n LYS 171 N 0.00 0.00 -0.87 1.64 0.00 -1.25 0.12 118.16 117.80 1lqg n LYS 171 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1lqg n LYS 171 Cb 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 35.03 34.88 1lqg n LYS 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1lqg n GLY 172 N 0.00 2.82 2.72 2.58 0.00 -0.97 -4.31 105.19 108.04 1lqg n GLY 172 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 1lqg n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqg n ALA 173 N 2.35 -2.32 -3.62 4.61 0.00 0.32 -4.87 120.51 116.98 1lqg n ALA 173 Ca 0.34 -0.88 -0.39 0.00 0.00 0.00 0.00 53.44 52.51 1lqg n ALA 173 Cb 0.81 -2.06 -0.08 0.00 0.00 0.00 0.00 19.45 18.13 1lqg n ALA 173 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1lqg s ILE 174 N 0.63 4.21 0.16 0.00 -1.09 -1.25 -4.24 121.20 119.63 1lqg s ILE 174 Ca 0.29 -2.91 0.06 0.00 -2.23 0.00 0.00 60.65 55.86 1lqg s ILE 174 Cb 0.16 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1lqg s ILE 174 CO -0.15 -0.93 0.08 -0.63 -1.23 0.00 0.00 174.94 172.09 1lqg s ILE 175 N -0.10 4.21 -0.92 2.92 1.09 -1.26 -5.03 121.20 122.11 1lqg s ILE 175 Ca 0.18 -1.20 -0.25 0.00 -1.10 0.00 0.00 60.65 58.28 1lqg s ILE 175 Cb -0.17 -3.13 -0.10 0.00 -1.06 0.00 0.00 42.46 38.00 1lqg s ILE 175 CO -0.05 -0.10 2.11 -0.62 -0.10 0.00 0.00 174.94 176.18 1lqg s ASP 176 N -3.02 4.54 0.00 3.58 3.68 -1.26 -4.76 116.67 119.43 1lqg s ASP 176 Ca 0.30 -0.59 0.00 0.00 2.13 0.00 0.00 52.55 54.38 1lqg s ASP 176 Cb -0.10 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.81 1lqg s ASP 176 CO 0.22 -3.37 0.22 0.29 0.13 0.00 0.00 175.17 172.66 1lqg n LYS 177 N 8.70 0.00 -0.08 4.34 4.01 -1.26 -1.11 118.16 132.76 1lqg n LYS 177 Ca 0.43 0.01 -0.11 0.00 -0.51 0.00 0.00 58.31 58.14 1lqg n LYS 177 Cb 0.46 -1.53 -0.04 0.00 -0.51 0.00 0.00 35.03 33.41 1lqg n LYS 177 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1lqg n GLN 178 N -0.72 0.47 -0.21 1.97 -0.06 -1.26 -4.61 117.38 112.96 1lqg n GLN 178 Ca 0.00 0.19 0.00 0.00 -2.00 0.00 0.00 57.00 55.19 1lqg n GLN 178 Cb 0.03 -1.32 0.11 0.00 -4.06 0.00 0.00 30.24 25.00 1lqg n GLN 178 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1lqg h ARG 179 N -0.87 0.44 -6.08 3.69 3.08 -1.52 -3.44 114.38 109.68 1lqg h ARG 179 Ca -0.11 -0.03 -0.61 0.00 0.07 0.00 0.00 59.98 59.31 1lqg h ARG 179 Cb 0.99 -0.10 -0.14 0.00 0.08 0.00 0.00 29.97 30.80 1lqg h ARG 179 CO -0.07 0.29 -0.73 -1.01 -1.07 0.00 0.00 179.97 177.39 1lqg s HIS 180 N -6.09 2.33 -0.23 3.04 3.76 -0.70 -0.86 115.29 116.54 1lqg s HIS 180 Ca -0.13 -0.41 -0.16 0.00 -0.15 0.00 0.00 55.06 54.22 1lqg s HIS 180 Cb 0.17 -1.15 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 1lqg s HIS 180 CO 0.75 0.66 0.41 -1.58 -0.85 0.00 0.00 174.74 174.13 1lqg s HIS 181 N -2.56 3.32 -0.47 1.40 2.46 0.08 -4.41 115.29 115.12 1lqg s HIS 181 Ca 0.31 0.57 0.03 0.00 0.47 0.00 0.00 55.06 56.44 1lqg s HIS 181 Cb -0.02 -2.57 0.12 0.00 -0.13 0.00 0.00 32.58 29.98 1lqg s HIS 181 CO 0.15 -0.11 0.21 0.08 -2.47 0.00 0.00 174.74 172.60 1lqg s VAL 182 N 1.67 2.27 -0.03 0.89 1.01 -1.26 -0.50 120.40 124.45 1lqg s VAL 182 Ca 0.18 -2.94 -0.22 0.00 0.00 0.00 0.00 61.98 59.00 1lqg s VAL 182 Cb -0.15 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 1lqg s VAL 182 CO 0.09 -0.77 0.63 -0.76 0.00 0.00 0.00 175.10 174.28 1lqg s LEU 183 N 0.11 4.37 0.33 3.92 1.43 -0.98 -4.98 118.68 122.87 1lqg s LEU 183 Ca 0.16 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 54.49 1lqg s LEU 183 Cb -0.24 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 1lqg s LEU 183 CO -0.02 0.01 0.12 -0.54 0.23 0.00 0.00 176.35 176.15 1lqg s LYS 184 N 0.26 2.37 0.00 1.70 1.02 -1.26 -1.13 119.74 122.70 1lqg s LYS 184 Ca 0.33 -1.52 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1lqg s LYS 184 Cb -0.18 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 1lqg s LYS 184 CO 0.17 0.15 0.00 0.00 -0.92 0.00 0.00 175.35 174.75 1lqg n ALA 185 N -1.12 0.00 -1.14 5.17 0.00 -0.78 -4.94 120.51 117.70 1lqg n ALA 185 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 1lqg n ALA 185 Cb 0.61 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.17 1lqg n ALA 185 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1lqg s PRO 186 N -2.00 1.98 0.29 0.00 0.02 -1.26 -1.62 135.00 132.40 1lqg s PRO 186 Ca 0.00 1.34 -0.29 0.00 0.02 0.00 0.00 61.00 62.07 1lqg s PRO 186 Cb 0.00 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 1lqg s PRO 186 CO 0.00 -1.88 1.43 -1.58 -0.33 0.00 0.00 177.00 174.64 1lqg s HIS 187 N -2.70 2.94 -1.60 6.54 2.46 -1.26 -4.07 115.29 117.60 1lqg s HIS 187 Ca 0.64 1.11 0.00 0.00 0.47 0.00 0.00 55.06 57.29 1lqg s HIS 187 Cb -0.20 -3.84 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 1lqg s HIS 187 CO 0.54 -2.62 0.70 -0.35 -2.47 0.00 0.00 174.74 170.54 1lqg n PRO 188 N 1.70 0.00 -1.62 2.88 -0.04 -1.26 -3.22 135.00 133.44 1lqg n PRO 188 Ca 0.04 0.20 -0.46 0.00 -0.04 0.00 0.00 63.50 63.25 1lqg n PRO 188 Cb 0.40 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 1lqg n PRO 188 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1lqg n SER 189 N -1.20 1.79 0.02 3.54 2.88 -1.26 -4.24 113.62 115.16 1lqg n SER 189 Ca 0.00 1.16 0.22 0.00 -1.33 0.00 0.00 58.87 58.93 1lqg n SER 189 Cb 0.00 -1.32 0.70 0.00 -0.75 0.00 0.00 64.21 62.84 1lqg n SER 189 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1lqg h PRO 190 N 2.94 0.00 -0.90 -1.46 0.13 -1.87 0.93 132.00 131.77 1lqg h PRO 190 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1lqg h PRO 190 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1lqg h PRO 190 CO 0.67 0.00 0.03 -0.11 -0.23 0.00 0.00 178.00 178.36 1lqg n LEU 191 N -3.66 2.71 0.00 1.56 7.94 -1.26 -4.17 117.00 120.12 1lqg n LEU 191 Ca 0.11 -1.38 0.00 0.00 -1.11 0.00 0.00 56.01 53.63 1lqg n LEU 191 Cb 0.79 -0.56 0.00 0.00 0.53 0.00 0.00 43.42 44.18 1lqg n LEU 191 CO 0.27 0.41 0.00 -0.24 -1.11 0.00 0.00 177.39 176.73 1lqg n SER 192 N 0.15 0.00 -0.23 1.96 2.88 0.28 -4.96 113.62 113.70 1lqg n SER 192 Ca 0.10 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.57 1lqg n SER 192 Cb 0.59 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.09 1lqg n SER 192 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lqg h ALA 193 N 0.00 0.83 -0.04 -1.46 0.00 -0.27 -3.08 119.26 115.24 1lqg h ALA 193 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1lqg h ALA 193 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1lqg h ALA 193 CO 0.00 0.36 -0.62 0.45 0.00 0.00 0.00 179.25 179.45 1lqg h HIS 194 N 0.88 0.20 -0.99 0.00 3.86 -1.83 -1.22 115.15 116.05 1lqg h HIS 194 Ca 0.22 -0.08 -0.48 0.00 -1.16 0.00 0.00 60.37 58.88 1lqg h HIS 194 Cb 0.07 -0.04 -0.17 0.00 1.06 0.00 0.00 27.41 28.34 1lqg h HIS 194 CO -0.00 0.73 0.36 0.54 0.86 0.00 0.00 177.93 180.42 1lqg n ARG 195 N -3.84 2.35 0.00 2.45 1.74 -1.16 -4.59 116.66 113.60 1lqg n ARG 195 Ca -0.02 -2.25 0.00 0.00 -0.77 0.00 0.00 57.85 54.81 1lqg n ARG 195 Cb 0.62 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1lqg n ARG 195 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lqg n GLY 196 N 0.91 1.10 0.81 -0.13 0.00 -1.24 -5.02 105.19 101.61 1lqg n GLY 196 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.43 1lqg n GLY 196 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1lqg n PHE 197 N 0.00 0.00 0.16 1.61 7.35 -0.52 -4.32 117.46 121.74 1lqg n PHE 197 Ca 0.00 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.76 1lqg n PHE 197 Cb 0.00 -0.22 0.36 0.00 0.35 0.00 0.00 39.48 39.97 1lqg n PHE 197 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1lqg n PHE 198 N -3.30 0.45 0.06 -5.13 0.99 -0.86 -1.49 117.46 108.17 1lqg n PHE 198 Ca -0.12 0.23 -0.21 0.00 -0.00 0.00 0.00 57.45 57.36 1lqg n PHE 198 Cb 0.56 -0.68 -0.13 0.00 -1.00 0.00 0.00 39.48 38.23 1lqg n PHE 198 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1lqg h GLY 199 N 0.00 0.53 -1.91 1.37 0.00 -1.86 -3.47 103.07 97.73 1lqg h GLY 199 Ca 0.00 -1.12 -0.54 0.00 0.00 0.00 0.00 47.33 45.67 1lqg h GLY 199 CO 0.00 0.99 -0.15 0.00 0.00 0.00 0.00 176.54 177.38 1lqg n ASN 201 N -2.06 3.93 -0.28 0.00 3.02 -1.26 -4.90 115.26 113.72 1lqg n ASN 201 Ca 0.10 -3.39 0.09 0.00 -0.03 0.00 0.00 54.58 51.36 1lqg n ASN 201 Cb 0.51 -0.43 0.23 0.00 -0.61 0.00 0.00 39.78 39.48 1lqg n ASN 201 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1lqg h HIS 202 N 2.52 0.23 -0.47 3.10 -0.00 -1.94 0.11 115.15 118.69 1lqg h HIS 202 Ca 0.21 0.05 -0.09 0.00 -0.00 0.00 0.00 60.37 60.54 1lqg h HIS 202 Cb 1.20 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.62 1lqg h HIS 202 CO 0.75 -0.19 -0.06 0.74 -0.00 0.00 0.00 177.93 179.17 1lqg h PHE 203 N 0.20 0.89 0.05 2.45 0.04 -1.99 -0.76 116.94 117.82 1lqg h PHE 203 Ca 0.48 -0.15 -0.28 0.00 2.80 0.00 0.00 57.97 60.83 1lqg h PHE 203 Cb 0.91 -0.23 0.02 0.00 2.20 0.00 0.00 35.95 38.85 1lqg h PHE 203 CO -0.31 0.85 -1.12 -0.24 -0.60 0.00 0.00 178.31 176.89 1lqg h VAL 204 N 0.75 1.29 -0.50 -0.55 3.04 -1.58 -3.09 116.25 115.61 1lqg h VAL 204 Ca 0.13 -2.36 -0.08 0.00 -1.01 0.00 0.00 66.70 63.39 1lqg h VAL 204 Cb 0.54 2.51 -0.02 0.00 -2.01 0.00 0.00 31.29 32.31 1lqg h VAL 204 CO 0.03 0.72 0.01 -0.07 -1.01 0.00 0.00 177.57 177.25 1lqg h LEU 205 N 0.33 0.80 -0.84 3.16 4.07 -0.75 -0.48 115.31 121.59 1lqg h LEU 205 Ca -0.15 -0.20 -0.10 0.00 0.08 0.00 0.00 57.88 57.52 1lqg h LEU 205 Cb 1.78 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 43.29 1lqg h LEU 205 CO 0.21 0.86 -0.19 0.00 -1.08 0.00 0.00 178.44 178.25 1lqg h ALA 206 N 1.23 1.02 0.00 1.53 0.00 -1.19 -0.76 119.26 121.09 1lqg h ALA 206 Ca 0.15 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 1lqg h ALA 206 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1lqg h ALA 206 CO 0.02 0.59 -0.89 -0.91 0.00 0.00 0.00 179.25 178.06 1lqg h ASN 207 N 0.58 0.32 -0.13 0.00 2.35 -1.42 -2.22 115.58 115.06 1lqg h ASN 207 Ca 0.09 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1lqg h ASN 207 Cb 0.64 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1lqg h ASN 207 CO 0.05 1.05 0.08 -0.61 -1.65 0.00 0.00 177.43 176.35 1lqg h GLN 208 N 0.14 0.16 0.58 0.81 4.15 -0.68 0.35 115.11 120.61 1lqg h GLN 208 Ca -0.05 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 1lqg h GLN 208 Cb 1.51 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.17 1lqg h GLN 208 CO 0.14 0.10 -0.32 2.35 -1.93 0.00 0.00 178.83 179.17 1lqg h TRP 209 N 0.16 -0.85 -0.85 3.99 7.01 -1.12 -0.93 115.95 123.36 1lqg h TRP 209 Ca 0.05 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.13 1lqg h TRP 209 Cb -0.01 0.29 -0.12 0.00 -2.10 0.00 0.00 29.16 27.22 1lqg h TRP 209 CO -0.08 -0.50 -0.53 -0.07 -2.79 0.00 0.00 178.44 174.48 1lqg h LEU 210 N -0.84 -1.90 -0.61 0.65 -0.00 -1.35 0.25 115.31 111.52 1lqg h LEU 210 Ca -0.08 0.30 0.13 0.00 -0.00 0.00 0.00 57.88 58.23 1lqg h LEU 210 Cb 0.66 0.86 -0.10 0.00 -0.00 0.00 0.00 40.66 42.07 1lqg h LEU 210 CO 0.11 -0.28 0.05 -0.33 -0.00 0.00 0.00 178.44 177.99 1lqg h GLU 211 N -0.09 0.16 -0.68 1.13 4.39 -0.81 -0.22 114.58 118.47 1lqg h GLU 211 Ca 0.18 -0.01 0.20 0.00 0.34 0.00 0.00 59.36 60.07 1lqg h GLU 211 Cb 0.49 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1lqg h GLU 211 CO -0.86 0.11 0.53 -0.56 -1.16 0.00 0.00 179.01 177.06 1lqg h GLN 212 N 0.17 0.00 -0.34 2.33 -0.00 0.93 0.33 115.11 118.53 1lqg h GLN 212 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.97 1lqg h GLN 212 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.00 1lqg h GLN 212 CO -0.48 0.00 0.00 2.89 -0.00 0.00 0.00 178.83 181.24 1lqg n ARG 213 N -4.15 1.98 -0.32 0.06 1.85 -0.11 -4.92 116.66 111.05 1lqg n ARG 213 Ca 0.13 -1.50 0.00 0.00 -1.00 0.00 0.00 57.85 55.48 1lqg n ARG 213 Cb 0.78 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.81 1lqg n ARG 213 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1lqg n GLY 214 N 1.21 2.08 3.81 2.89 0.00 0.11 -5.02 105.19 110.27 1lqg n GLY 214 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1lqg n GLY 214 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lqg s GLU 215 N -0.10 3.12 -0.14 1.61 2.02 -1.16 -4.98 118.70 119.07 1lqg s GLU 215 Ca 0.00 1.11 -0.29 0.00 0.02 0.00 0.00 54.97 55.80 1lqg s GLU 215 Cb 0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 1lqg s GLU 215 CO 0.00 -0.96 1.25 -0.08 0.02 0.00 0.00 175.26 175.49 1lqg s THR 216 N -2.70 4.27 1.39 3.63 -1.32 -1.26 -3.96 115.64 115.70 1lqg s THR 216 Ca 0.61 1.55 -0.21 0.00 -1.21 0.00 0.00 61.69 62.43 1lqg s THR 216 Cb -0.15 -4.00 0.35 0.00 -1.51 0.00 0.00 72.50 67.19 1lqg s THR 216 CO 0.45 -0.11 0.87 -0.81 -2.21 0.00 0.00 174.62 172.81 1lqg n PRO 217 N 6.33 -4.21 -4.73 7.08 -0.04 -1.26 -4.93 135.00 133.24 1lqg n PRO 217 Ca 0.13 -1.24 -0.33 0.00 -0.04 0.00 0.00 63.50 62.02 1lqg n PRO 217 Cb 0.45 -1.96 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1lqg n PRO 217 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1lqg s ILE 218 N -2.18 3.44 -0.72 0.52 1.01 -1.26 -5.07 121.20 116.94 1lqg s ILE 218 Ca 0.66 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 60.54 1lqg s ILE 218 Cb -0.15 -2.39 0.12 0.00 0.01 0.00 0.00 42.46 40.05 1lqg s ILE 218 CO 0.58 0.59 0.86 -0.62 0.00 0.00 0.00 174.94 176.35 1lqg s ASP 219 N -0.80 6.38 0.00 3.58 2.15 -1.26 -4.88 116.67 121.84 1lqg s ASP 219 Ca 0.12 -1.72 0.06 0.00 0.43 0.00 0.00 52.55 51.45 1lqg s ASP 219 Cb -0.11 -2.33 0.36 0.00 -0.30 0.00 0.00 42.92 40.54 1lqg s ASP 219 CO 0.01 -1.07 0.85 0.79 -0.17 0.00 0.00 175.17 175.58 1lqg n TRP 220 N 6.24 0.00 -3.05 -5.34 7.02 -1.26 -4.62 117.44 116.43 1lqg n TRP 220 Ca 0.03 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.10 1lqg n TRP 220 Cb 0.45 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.28 1lqg n TRP 220 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 1lqg s MET 221 N -2.00 4.10 0.87 -0.99 1.75 -1.26 -5.04 119.30 116.73 1lqg s MET 221 Ca 0.09 0.61 -0.11 0.00 -1.25 0.00 0.00 55.69 55.03 1lqg s MET 221 Cb 0.04 -3.66 0.12 0.00 2.84 0.00 0.00 34.83 34.17 1lqg s MET 221 CO 0.07 -0.47 1.09 -2.14 -0.65 0.00 0.00 175.02 172.93 1lqg s PRO 222 N 2.62 1.41 0.14 4.11 0.02 -1.26 -4.92 135.00 137.13 1lqg s PRO 222 Ca 0.28 1.03 -0.02 0.00 0.02 0.00 0.00 61.00 62.31 1lqg s PRO 222 Cb -0.15 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.57 1lqg s PRO 222 CO 0.09 -2.19 0.23 1.55 -0.33 0.00 0.00 177.00 176.34 1lqg n VAL 223 N -3.88 0.00 -4.32 3.83 3.14 -1.26 -4.95 118.33 110.89 1lqg n VAL 223 Ca 0.08 -0.61 -0.26 0.00 -2.96 0.00 0.00 64.34 60.59 1lqg n VAL 223 Cb 0.54 0.42 -0.13 0.00 -1.06 0.00 0.00 33.84 33.62 1lqg n VAL 223 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1lqg s LEU 224 N 0.00 2.31 0.00 6.55 1.02 -1.26 -4.76 118.68 122.54 1lqg s LEU 224 Ca 0.10 -0.71 0.24 0.00 0.02 0.00 0.00 54.13 53.78 1lqg s LEU 224 Cb -0.01 -1.00 1.45 0.00 0.02 0.00 0.00 46.19 46.65 1lqg s LEU 224 CO 0.07 0.10 1.81 -0.81 0.02 0.00 0.00 176.35 177.54