#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lpg s VAL 17 N 0.00 5.22 0.00 1.39 1.01 0.48 -3.98 120.40 124.52 1lpg s VAL 17 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1lpg s VAL 17 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1lpg s VAL 17 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1lpg n GLY 18 N 3.59 -0.36 7.00 4.51 0.00 -1.26 -2.52 105.19 116.15 1lpg n GLY 18 Ca -0.09 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1lpg n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lpg n GLY 19 N 0.00 -1.30 3.14 -0.02 0.00 -1.26 -4.91 105.19 100.84 1lpg n GLY 19 Ca 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 1lpg n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lpg s GLN 20 N 0.00 0.75 0.35 1.61 -1.52 -0.64 -4.99 119.66 115.21 1lpg s GLN 20 Ca 0.00 -1.26 -0.26 0.00 -1.95 0.00 0.00 55.36 51.89 1lpg s GLN 20 Cb 0.00 -0.08 -0.09 0.00 -0.22 0.00 0.00 33.01 32.62 1lpg s GLN 20 CO 0.00 -0.04 1.03 -1.83 -0.25 0.00 0.00 175.29 174.20 1lpg s GLU 21 N -3.71 4.38 -0.02 2.91 -1.05 -1.26 -0.84 118.70 119.11 1lpg s GLU 21 Ca 0.09 1.53 -0.30 0.00 -0.15 0.00 0.00 54.97 56.14 1lpg s GLU 21 Cb 0.05 -2.77 -0.06 0.00 -0.44 0.00 0.00 34.13 30.92 1lpg s GLU 21 CO -0.06 0.05 1.56 0.00 0.95 0.00 0.00 175.26 177.76 1lpg s LYS 23 N 3.21 1.91 -0.16 0.00 -0.14 -1.26 -4.88 119.74 118.42 1lpg s LYS 23 Ca 0.70 -0.02 -0.36 0.00 -1.36 0.00 0.00 55.97 54.92 1lpg s LYS 23 Cb -0.34 -1.99 -0.13 0.00 -1.68 0.00 0.00 37.83 33.69 1lpg s LYS 23 CO 0.28 -1.58 1.84 -3.47 -0.76 0.00 0.00 175.35 171.66 1lpg n ASP 24 N -3.27 3.07 0.00 2.83 2.03 -1.26 -0.91 116.55 119.05 1lpg n ASP 24 Ca 0.09 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.40 1lpg n ASP 24 Cb 0.61 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1lpg n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lpg n GLY 25 N 4.37 0.64 0.11 0.27 0.00 -1.26 -4.92 105.19 104.41 1lpg n GLY 25 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 1lpg n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1lpg h GLU 26 N 1.71 0.32 -2.08 1.61 5.08 -1.38 -3.38 114.58 116.46 1lpg h GLU 26 Ca 0.00 -0.54 -0.55 0.00 -1.00 0.00 0.00 59.36 57.27 1lpg h GLU 26 Cb 0.07 0.20 -0.41 0.00 0.50 0.00 0.00 28.75 29.11 1lpg h GLU 26 CO 0.00 1.25 -0.83 0.00 -1.00 0.00 0.00 179.01 178.42 1lpg h PRO 28 N 2.95 0.00 -0.01 0.00 0.13 -1.77 -2.34 132.00 130.96 1lpg h PRO 28 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1lpg h PRO 28 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1lpg h PRO 28 CO 0.72 0.00 -0.09 -2.67 -0.23 0.00 0.00 178.00 175.72 1lpg n TRP 29 N -3.04 0.00 -2.27 1.56 2.14 -0.99 -1.63 117.44 113.21 1lpg n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 1lpg n TRP 29 Cb 0.19 -0.09 -0.03 0.00 -0.81 0.00 0.00 31.31 30.57 1lpg n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1lpg s GLN 30 N -2.28 4.34 0.21 -2.67 2.00 -0.88 0.02 119.66 120.39 1lpg s GLN 30 Ca 0.33 1.93 0.11 0.00 -2.00 0.00 0.00 55.36 55.73 1lpg s GLN 30 Cb 0.20 -3.40 -0.04 0.00 0.80 0.00 0.00 33.01 30.57 1lpg s GLN 30 CO 0.43 -0.43 -0.18 0.00 -0.50 0.00 0.00 175.29 174.61 1lpg s ALA 31 N 1.59 2.73 -0.12 1.58 0.00 -0.37 -4.34 121.76 122.82 1lpg s ALA 31 Ca 0.62 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1lpg s ALA 31 Cb -0.32 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.37 1lpg s ALA 31 CO 0.28 0.40 -0.03 -1.17 0.00 0.00 0.00 175.76 175.25 1lpg s LEU 32 N -2.94 1.08 -0.11 0.00 2.96 -0.03 -1.64 118.68 118.00 1lpg s LEU 32 Ca 0.24 -0.39 -0.30 0.00 -0.22 0.00 0.00 54.13 53.46 1lpg s LEU 32 Cb -0.07 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 1lpg s LEU 32 CO 0.13 -0.19 1.04 -0.76 -1.32 0.00 0.00 176.35 175.25 1lpg s LEU 33 N 1.80 4.24 -0.03 -0.68 1.43 -0.69 -0.81 118.68 123.93 1lpg s LEU 33 Ca 0.03 1.56 0.06 0.00 -1.03 0.00 0.00 54.13 54.75 1lpg s LEU 33 Cb -0.14 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 1lpg s LEU 33 CO -0.07 -0.49 -0.21 0.27 0.23 0.00 0.00 176.35 176.08 1lpg s ILE 34 N 2.15 2.48 0.92 -0.59 -4.36 -0.14 -1.11 121.20 120.55 1lpg s ILE 34 Ca 0.49 -0.95 -0.12 0.00 -0.26 0.00 0.00 60.65 59.81 1lpg s ILE 34 Cb -0.19 -1.91 0.20 0.00 1.25 0.00 0.00 42.46 41.81 1lpg s ILE 34 CO 0.17 0.58 1.26 0.54 0.24 0.00 0.00 174.94 177.74 1lpg s ASN 35 N -0.63 3.24 0.63 4.36 2.20 -0.27 -0.89 114.94 123.58 1lpg s ASN 35 Ca 0.10 0.01 0.31 0.00 -0.94 0.00 0.00 52.86 52.34 1lpg s ASN 35 Cb -0.10 -0.07 1.71 0.00 -2.00 0.00 0.00 41.25 40.79 1lpg s ASN 35 CO -0.00 -2.63 2.02 -0.33 -2.94 0.00 0.00 177.10 173.22 1lpg h GLU 36 N -1.44 0.00 -0.77 3.55 5.08 -1.90 0.75 114.58 119.85 1lpg h GLU 36 Ca -0.42 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.68 1lpg h GLU 36 Cb 1.23 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.32 1lpg h GLU 36 CO 0.35 0.00 0.32 -0.85 -1.00 0.00 0.00 179.01 177.83 1lpg n GLU 37 N -3.33 3.47 -1.71 2.33 0.00 -1.26 -4.92 120.64 115.22 1lpg n GLU 37 Ca 0.01 -3.09 -0.20 0.00 0.00 0.00 0.00 57.16 53.89 1lpg n GLU 37 Cb 0.38 -2.20 -0.07 0.00 0.00 0.00 0.00 31.44 29.55 1lpg n GLU 37 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1lpg n ASN 38 N -0.33 -5.22 -4.77 -1.84 5.03 0.26 -4.96 115.26 103.42 1lpg n ASN 38 Ca 0.44 0.40 -0.36 0.00 0.87 0.00 0.00 54.58 55.93 1lpg n ASN 38 Cb 1.43 -4.59 -0.07 0.00 -1.02 0.00 0.00 39.78 35.52 1lpg n ASN 38 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1lpg s GLU 39 N -3.90 3.99 0.12 3.52 2.02 -1.26 -4.81 118.70 118.39 1lpg s GLU 39 Ca 0.00 -0.10 -0.30 0.00 0.02 0.00 0.00 54.97 54.59 1lpg s GLU 39 Cb 0.00 -3.35 -0.07 0.00 0.10 0.00 0.00 34.13 30.81 1lpg s GLU 39 CO 0.00 0.43 1.18 0.20 0.02 0.00 0.00 175.26 177.09 1lpg s GLY 40 N -0.05 2.57 0.00 -1.39 0.00 -1.26 -1.11 107.32 106.07 1lpg s GLY 40 Ca 0.12 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1lpg s GLY 40 CO 0.02 1.91 0.00 1.97 0.00 0.00 0.00 173.10 177.00 1lpg n PHE 41 N 3.22 0.00 -3.89 1.90 -1.74 -0.27 -4.95 117.46 111.74 1lpg n PHE 41 Ca 0.06 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.87 1lpg n PHE 41 Cb 0.46 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.44 1lpg n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1lpg n GLY 43 N -0.46 3.35 3.76 0.00 0.00 0.18 -1.71 105.19 110.31 1lpg n GLY 43 Ca -0.04 -2.27 -0.03 0.00 0.00 0.00 0.00 46.02 43.68 1lpg n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lpg s GLY 44 N -2.81 -0.19 -0.07 -0.02 0.00 -0.65 -3.44 107.32 100.14 1lpg s GLY 44 Ca 0.09 0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.94 1lpg s GLY 44 CO 0.06 0.41 -0.18 -1.59 0.00 0.00 0.00 173.10 171.80 1lpg s THR 45 N -3.00 1.53 -0.11 0.90 2.01 0.10 -1.24 115.64 115.84 1lpg s THR 45 Ca 0.14 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1lpg s THR 45 Cb -0.01 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1lpg s THR 45 CO 0.02 0.44 1.30 -0.63 -0.69 0.00 0.00 174.62 175.06 1lpg s ILE 46 N 0.41 4.14 -0.23 1.82 1.01 0.10 -0.84 121.20 127.62 1lpg s ILE 46 Ca -0.14 1.42 0.08 0.00 0.00 0.00 0.00 60.65 62.02 1lpg s ILE 46 Cb -0.16 -3.92 -0.20 0.00 0.01 0.00 0.00 42.46 38.19 1lpg s ILE 46 CO 0.05 -0.08 -0.07 0.18 0.00 0.00 0.00 174.94 175.02 1lpg n LEU 47 N 6.18 1.80 0.00 2.97 4.77 -0.12 -1.43 117.00 131.17 1lpg n LEU 47 Ca 0.13 -0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1lpg n LEU 47 Cb 0.45 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1lpg n LEU 47 CO 0.57 0.76 0.30 -1.54 -1.33 0.00 0.00 177.39 176.15 1lpg n SER 48 N -3.07 -1.13 0.29 -1.43 3.41 -1.08 -4.68 113.62 105.93 1lpg n SER 48 Ca -0.40 -1.75 0.17 0.00 -0.26 0.00 0.00 58.87 56.63 1lpg n SER 48 Cb 1.06 1.88 0.88 0.00 -0.26 0.00 0.00 64.21 67.76 1lpg n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1lpg h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.10 114.58 117.94 1lpg h GLU 49 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1lpg h GLU 49 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1lpg h GLU 49 CO 0.21 0.05 -1.03 1.19 0.07 0.00 0.00 179.01 179.51 1lpg n PHE 50 N -3.35 0.00 -4.75 2.06 3.72 -1.26 0.91 117.46 114.80 1lpg n PHE 50 Ca -0.02 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 1lpg n PHE 50 Cb 0.20 -0.11 -0.12 0.00 -0.94 0.00 0.00 39.48 38.51 1lpg n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1lpg s TYR 51 N -2.21 2.77 -0.04 1.38 2.02 -1.17 0.02 117.35 120.11 1lpg s TYR 51 Ca -0.01 -0.11 0.04 0.00 -0.37 0.00 0.00 57.07 56.63 1lpg s TYR 51 Cb 0.04 -1.63 -0.00 0.00 -0.40 0.00 0.00 41.96 39.97 1lpg s TYR 51 CO 0.26 0.25 -0.18 0.42 -1.57 0.00 0.00 175.55 174.74 1lpg s ILE 52 N -0.81 1.47 -0.15 2.71 -1.09 -0.33 -0.94 121.20 122.07 1lpg s ILE 52 Ca 0.13 -0.74 -0.07 0.00 -2.23 0.00 0.00 60.65 57.74 1lpg s ILE 52 Cb -0.11 -1.26 -0.04 0.00 -1.58 0.00 0.00 42.46 39.47 1lpg s ILE 52 CO 0.02 0.42 0.09 -0.22 -1.23 0.00 0.00 174.94 174.02 1lpg s LEU 53 N -0.00 4.04 0.00 2.97 2.96 -0.02 -0.52 118.68 128.11 1lpg s LEU 53 Ca -0.03 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1lpg s LEU 53 Cb -0.11 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.60 1lpg s LEU 53 CO 0.02 0.29 0.48 1.07 -1.32 0.00 0.00 176.35 176.89 1lpg n THR 54 N 2.75 0.00 -3.15 3.68 5.66 -0.17 -0.72 114.28 122.33 1lpg n THR 54 Ca -0.18 -1.33 -0.39 0.00 -3.05 0.00 0.00 64.05 59.10 1lpg n THR 54 Cb 0.53 0.90 -0.06 0.00 -1.55 0.00 0.00 70.33 70.15 1lpg n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1lpg s ALA 55 N -2.41 3.51 0.43 1.79 0.00 -1.26 -0.90 121.76 122.92 1lpg s ALA 55 Ca 0.22 0.16 0.14 0.00 0.00 0.00 0.00 51.96 52.48 1lpg s ALA 55 Cb -0.02 -2.78 0.93 0.00 0.00 0.00 0.00 23.12 21.25 1lpg s ALA 55 CO 0.16 0.31 1.95 0.00 0.00 0.00 0.00 175.76 178.17 1lpg h ALA 56 N 4.70 1.61 0.00 0.00 0.00 -1.70 -1.86 119.26 122.01 1lpg h ALA 56 Ca -0.48 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1lpg h ALA 56 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1lpg h ALA 56 CO 0.66 0.29 0.00 1.12 0.00 0.00 0.00 179.25 181.32 1lpg h HIS 57 N 0.00 0.00 -0.01 0.00 2.07 -1.92 -2.93 115.15 112.37 1lpg h HIS 57 Ca -0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.39 1lpg h HIS 57 Cb 0.42 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.38 1lpg h HIS 57 CO 0.00 0.00 -0.58 0.00 -3.07 0.00 0.00 177.93 174.28 1lpg n LEU 59 N -3.86 0.00 0.00 0.00 4.77 -1.10 -1.61 117.00 115.20 1lpg n LEU 59 Ca -0.01 0.46 -0.02 0.00 -0.03 0.00 0.00 56.01 56.41 1lpg n LEU 59 Cb 0.58 -0.46 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 1lpg n LEU 59 CO 0.42 -0.39 -0.48 -1.22 -1.33 0.00 0.00 177.39 174.39 1lpg n TYR 60 N -1.46 0.79 0.89 -1.77 0.53 -1.14 -4.18 117.16 110.82 1lpg n TYR 60 Ca 0.01 0.27 0.08 0.00 -1.02 0.00 0.00 57.90 57.24 1lpg n TYR 60 Cb 0.05 -1.05 0.45 0.00 -1.03 0.00 0.00 39.34 37.76 1lpg n TYR 60 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1lpg n GLN 61 N -2.85 0.35 -3.65 -0.72 1.13 -0.63 -4.70 117.38 106.32 1lpg n GLN 61 Ca -0.14 0.08 -0.08 0.00 -1.94 0.00 0.00 57.00 54.92 1lpg n GLN 61 Cb 0.90 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.67 1lpg n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lpg s ALA 61 N -2.34 -1.77 0.07 -1.58 0.00 -1.26 -5.02 121.76 109.85 1lpg s ALA 61 Ca 0.20 2.26 0.22 0.00 0.00 0.00 0.00 51.96 54.63 1lpg s ALA 61 Cb 0.11 -1.33 0.72 0.00 0.00 0.00 0.00 23.12 22.62 1lpg s ALA 61 CO 0.23 -0.36 1.74 1.57 0.00 0.00 0.00 175.76 178.94 1lpg h LYS 62 N 6.69 0.00 -2.93 0.00 2.10 -1.85 -3.43 116.57 117.14 1lpg h LYS 62 Ca -0.30 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.18 1lpg h LYS 62 Cb 1.21 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 32.27 1lpg h LYS 62 CO 0.16 0.28 -0.41 1.03 -2.00 0.00 0.00 179.45 178.52 1lpg s ARG 63 N -3.51 0.29 0.20 0.07 0.52 -1.26 -5.15 118.95 110.11 1lpg s ARG 63 Ca 0.01 0.56 -0.14 0.00 -0.52 0.00 0.00 55.73 55.64 1lpg s ARG 63 Cb 0.10 -0.01 0.01 0.00 0.52 0.00 0.00 34.95 35.56 1lpg s ARG 63 CO 0.66 -0.13 0.46 -0.59 0.02 0.00 0.00 175.30 175.73 1lpg s PHE 64 N 0.97 0.12 0.41 -0.53 -0.71 -1.26 -3.57 117.98 113.41 1lpg s PHE 64 Ca -0.07 -0.48 0.04 0.00 -1.04 0.00 0.00 56.93 55.38 1lpg s PHE 64 Cb -0.07 0.25 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 1lpg s PHE 64 CO -0.07 -0.90 0.12 0.15 -1.34 0.00 0.00 175.22 173.18 1lpg s LYS 65 N -3.93 1.93 -0.17 1.99 1.02 -0.07 -4.54 119.74 115.97 1lpg s LYS 65 Ca 0.14 -2.18 0.00 0.00 0.02 0.00 0.00 55.97 53.96 1lpg s LYS 65 Cb -0.00 -0.65 0.03 0.00 -0.52 0.00 0.00 37.83 36.70 1lpg s LYS 65 CO 0.01 -0.47 -0.11 0.08 -0.92 0.00 0.00 175.35 173.95 1lpg s VAL 66 N -3.20 1.48 -0.15 3.17 1.01 0.25 -0.96 120.40 122.00 1lpg s VAL 66 Ca 0.23 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1lpg s VAL 66 Cb 0.03 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1lpg s VAL 66 CO 0.14 0.28 0.09 -0.60 0.00 0.00 0.00 175.10 175.02 1lpg s ARG 67 N 1.49 3.68 0.25 2.72 3.52 0.01 0.50 118.95 131.11 1lpg s ARG 67 Ca 0.02 -0.25 0.08 0.00 -0.13 0.00 0.00 55.73 55.45 1lpg s ARG 67 Cb -0.15 -3.18 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 1lpg s ARG 67 CO -0.09 0.52 -0.13 0.14 -0.81 0.00 0.00 175.30 174.93 1lpg s VAL 68 N -0.32 1.90 -0.08 7.11 -7.23 -0.01 -0.85 120.40 120.92 1lpg s VAL 68 Ca 0.10 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1lpg s VAL 68 Cb -0.12 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1lpg s VAL 68 CO 0.01 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1lpg n GLY 69 N -0.50 0.45 3.64 2.32 0.00 -1.25 -1.02 105.19 108.83 1lpg n GLY 69 Ca -0.07 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1lpg n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lpg s ASP 70 N -2.16 6.45 -0.02 1.61 2.15 -1.26 -3.92 116.67 119.51 1lpg s ASP 70 Ca 0.00 0.53 0.03 0.00 0.43 0.00 0.00 52.55 53.54 1lpg s ASP 70 Cb 0.00 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.32 1lpg s ASP 70 CO 0.00 -0.19 0.03 0.54 -0.17 0.00 0.00 175.17 175.37 1lpg n ARG 71 N 5.06 2.49 -3.72 4.34 1.74 -1.26 -4.80 116.66 120.50 1lpg n ARG 71 Ca -0.06 -0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.73 1lpg n ARG 71 Cb 0.50 -1.08 -0.16 0.00 -1.02 0.00 0.00 32.46 30.70 1lpg n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1lpg s ASN 72 N -3.08 3.07 0.59 0.55 3.04 -1.26 -0.29 114.94 117.56 1lpg s ASN 72 Ca -0.01 -0.94 0.28 0.00 0.04 0.00 0.00 52.86 52.23 1lpg s ASN 72 Cb 0.01 -0.61 1.69 0.00 -1.54 0.00 0.00 41.25 40.81 1lpg s ASN 72 CO 0.13 -0.33 2.15 0.71 -3.04 0.00 0.00 177.10 176.72 1lpg h THR 73 N 6.50 0.52 -0.90 -5.21 1.35 -0.97 -2.80 112.91 111.41 1lpg h THR 73 Ca -0.16 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 65.13 1lpg h THR 73 Cb 1.10 0.90 -0.30 0.00 -1.73 0.00 0.00 68.15 68.12 1lpg h THR 73 CO 0.36 0.00 0.48 -1.84 -0.25 0.00 0.00 175.52 174.27 1lpg n GLU 74 N -3.86 2.64 -3.53 4.72 0.28 -1.26 -4.94 120.64 114.68 1lpg n GLU 74 Ca -0.00 -3.35 -0.11 0.00 -0.16 0.00 0.00 57.16 53.54 1lpg n GLU 74 Cb 0.24 -2.21 -0.04 0.00 1.43 0.00 0.00 31.44 30.85 1lpg n GLU 74 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1lpg s GLN 75 N -3.62 0.78 -0.66 3.44 2.00 -1.06 -5.12 119.66 115.42 1lpg s GLN 75 Ca 0.59 -0.04 -0.04 0.00 -2.00 0.00 0.00 55.36 53.87 1lpg s GLN 75 Cb 0.48 0.36 0.17 0.00 0.80 0.00 0.00 33.01 34.82 1lpg s GLN 75 CO 0.02 -0.29 0.50 -1.21 -0.50 0.00 0.00 175.29 173.81 1lpg s GLU 76 N -2.01 2.73 0.00 1.67 0.41 -1.26 -4.72 118.70 115.52 1lpg s GLU 76 Ca -0.00 -2.56 0.00 0.00 -0.41 0.00 0.00 54.97 51.99 1lpg s GLU 76 Cb -0.01 -3.83 0.00 0.00 -1.78 0.00 0.00 34.13 28.52 1lpg s GLU 76 CO -0.02 -1.19 0.36 -1.91 -0.49 0.00 0.00 175.26 172.00 1lpg n GLU 77 N 3.48 0.66 0.00 1.61 2.13 -1.26 -4.83 120.64 122.44 1lpg n GLU 77 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1lpg n GLU 77 Cb 0.39 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.78 1lpg n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1lpg n GLY 78 N 0.20 0.49 0.00 8.31 0.00 -1.26 -4.62 105.19 108.31 1lpg n GLY 78 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1lpg n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lpg n GLY 79 N 0.00 -0.75 3.76 -0.02 0.00 -1.26 -4.81 105.19 102.11 1lpg n GLY 79 Ca 0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1lpg n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lpg s GLU 80 N -2.99 2.67 -0.22 1.61 8.01 -1.25 -4.48 118.70 122.03 1lpg s GLU 80 Ca 0.04 1.44 -0.13 0.00 0.01 0.00 0.00 54.97 56.33 1lpg s GLU 80 Cb 0.05 -1.93 0.07 0.00 -4.31 0.00 0.00 34.13 28.01 1lpg s GLU 80 CO 0.13 -1.36 0.55 0.00 0.01 0.00 0.00 175.26 174.59 1lpg s ALA 81 N -2.30 -1.46 -0.15 5.21 0.00 -0.19 -4.97 121.76 117.89 1lpg s ALA 81 Ca 0.68 1.96 -0.13 0.00 0.00 0.00 0.00 51.96 54.47 1lpg s ALA 81 Cb -0.22 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 1lpg s ALA 81 CO 0.43 -0.32 0.27 0.08 0.00 0.00 0.00 175.76 176.21 1lpg s VAL 82 N 1.46 5.32 -0.04 0.00 1.01 -1.26 -0.83 120.40 126.06 1lpg s VAL 82 Ca -0.09 0.49 0.05 0.00 0.00 0.00 0.00 61.98 62.43 1lpg s VAL 82 Cb -0.07 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1lpg s VAL 82 CO -0.16 0.43 -0.19 -1.00 0.00 0.00 0.00 175.10 174.18 1lpg s HIS 83 N 0.24 1.83 0.31 5.22 3.76 0.18 -4.97 115.29 121.85 1lpg s HIS 83 Ca 0.16 -0.49 -0.14 0.00 -0.15 0.00 0.00 55.06 54.43 1lpg s HIS 83 Cb -0.13 -1.21 -0.09 0.00 1.11 0.00 0.00 32.58 32.26 1lpg s HIS 83 CO 0.04 -0.15 0.71 -1.21 -0.85 0.00 0.00 174.74 173.28 1lpg s GLU 84 N -0.09 3.98 -0.10 1.40 2.02 -1.26 -0.59 118.70 124.07 1lpg s GLU 84 Ca -0.01 0.62 -0.18 0.00 0.02 0.00 0.00 54.97 55.41 1lpg s GLU 84 Cb -0.11 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 1lpg s GLU 84 CO 0.02 0.19 0.49 0.08 0.02 0.00 0.00 175.26 176.06 1lpg s VAL 85 N -1.94 5.14 -0.16 2.63 1.01 -1.26 -1.09 120.40 124.73 1lpg s VAL 85 Ca 0.53 0.99 -0.10 0.00 0.00 0.00 0.00 61.98 63.40 1lpg s VAL 85 Cb -0.11 -3.83 -0.23 0.00 0.00 0.00 0.00 36.38 32.21 1lpg s VAL 85 CO 0.18 0.35 0.26 1.21 0.00 0.00 0.00 175.10 177.11 1lpg n GLU 86 N 3.43 0.70 -3.86 2.72 2.13 0.21 -4.70 120.64 121.28 1lpg n GLU 86 Ca -0.07 0.32 -0.17 0.00 0.66 0.00 0.00 57.16 57.90 1lpg n GLU 86 Cb 0.52 -1.70 -0.16 0.00 0.27 0.00 0.00 31.44 30.37 1lpg n GLU 86 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1lpg s VAL 87 N -2.51 0.08 -0.29 6.31 1.01 -0.78 -4.99 120.40 119.22 1lpg s VAL 87 Ca -0.25 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 1lpg s VAL 87 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 1lpg s VAL 87 CO 0.71 0.13 0.14 -0.69 0.00 0.00 0.00 175.10 175.38 1lpg s VAL 88 N 1.11 4.65 -0.39 2.92 1.01 -1.26 -0.88 120.40 127.56 1lpg s VAL 88 Ca -0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 1lpg s VAL 88 Cb -0.13 -3.30 0.08 0.00 0.00 0.00 0.00 36.38 33.03 1lpg s VAL 88 CO -0.02 0.16 0.18 -0.63 0.00 0.00 0.00 175.10 174.79 1lpg s ILE 89 N 1.64 3.62 -0.09 2.22 1.01 0.77 -5.00 121.20 125.37 1lpg s ILE 89 Ca 0.05 -1.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.05 1lpg s ILE 89 Cb -0.16 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1lpg s ILE 89 CO 0.06 -0.47 0.09 -0.75 0.00 0.00 0.00 174.94 173.87 1lpg s LYS 90 N 1.29 3.24 0.14 2.79 2.20 -1.26 0.18 119.74 128.32 1lpg s LYS 90 Ca 0.03 -0.28 -0.31 0.00 -0.36 0.00 0.00 55.97 55.04 1lpg s LYS 90 Cb -0.22 -3.01 -0.10 0.00 -1.51 0.00 0.00 37.83 32.99 1lpg s LYS 90 CO -0.01 0.73 1.73 -1.58 -0.36 0.00 0.00 175.35 175.86 1lpg s HIS 91 N -1.02 2.56 -1.37 4.03 5.65 -0.91 -4.85 115.29 119.37 1lpg s HIS 91 Ca 0.16 0.24 0.11 0.00 0.25 0.00 0.00 55.06 55.83 1lpg s HIS 91 Cb -0.12 -4.09 0.56 0.00 -1.18 0.00 0.00 32.58 27.75 1lpg s HIS 91 CO 0.06 -4.31 1.27 0.27 -0.65 0.00 0.00 174.74 171.38 1lpg n ASN 92 N 4.91 0.00 -0.89 9.88 6.94 -1.26 -2.08 115.26 132.76 1lpg n ASN 92 Ca 0.16 0.17 0.08 0.00 -0.02 0.00 0.00 54.58 54.98 1lpg n ASN 92 Cb 0.38 -0.31 0.20 0.00 -2.36 0.00 0.00 39.78 37.69 1lpg n ASN 92 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1lpg n ARG 93 N -1.31 2.65 -1.97 -3.83 1.74 -1.26 -4.99 116.66 107.69 1lpg n ARG 93 Ca 0.05 -2.20 -0.42 0.00 -0.77 0.00 0.00 57.85 54.51 1lpg n ARG 93 Cb 0.10 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1lpg n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1lpg s PHE 94 N -1.04 3.07 -0.20 -1.55 5.36 -0.89 -4.63 117.98 118.11 1lpg s PHE 94 Ca 0.32 0.72 0.01 0.00 -0.96 0.00 0.00 56.93 57.02 1lpg s PHE 94 Cb 0.17 -3.89 0.04 0.00 -0.34 0.00 0.00 43.02 39.00 1lpg s PHE 94 CO 0.22 -3.20 -0.12 -0.08 -1.46 0.00 0.00 175.22 170.58 1lpg s THR 95 N 0.93 1.76 0.67 0.12 -1.32 -1.00 -4.98 115.64 111.83 1lpg s THR 95 Ca 0.68 -1.04 0.43 0.00 -1.21 0.00 0.00 61.69 60.55 1lpg s THR 95 Cb -0.43 -1.79 0.44 0.00 -1.51 0.00 0.00 72.50 69.21 1lpg s THR 95 CO 0.33 0.23 2.34 0.50 -2.21 0.00 0.00 174.62 175.81 1lpg h LYS 96 N 7.95 0.00 -0.15 7.08 1.63 -1.94 0.46 116.57 131.60 1lpg h LYS 96 Ca -0.30 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.38 1lpg h LYS 96 Cb 1.10 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.72 1lpg h LYS 96 CO 0.50 0.00 -0.41 0.93 -3.45 0.00 0.00 179.45 177.03 1lpg h GLU 97 N 0.00 0.33 0.00 1.90 4.39 -1.97 -3.36 114.58 115.87 1lpg h GLU 97 Ca 0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1lpg h GLU 97 Cb 0.05 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1lpg h GLU 97 CO -0.00 0.69 -0.11 0.25 -1.16 0.00 0.00 179.01 178.68 1lpg n THR 98 N -4.03 0.00 -1.28 1.13 -2.24 -0.89 -5.01 114.28 101.97 1lpg n THR 98 Ca -0.01 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.51 1lpg n THR 98 Cb 0.49 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 1lpg n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1lpg n TYR 99 N -0.52 -0.02 -2.30 4.78 4.02 0.16 -4.96 117.16 118.31 1lpg n TYR 99 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 1lpg n TYR 99 Cb 0.00 -1.65 -0.01 0.00 -0.02 0.00 0.00 39.34 37.66 1lpg n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1lpg s ASP 100 N -2.90 6.07 -1.37 7.72 2.15 -1.24 -3.14 116.67 123.95 1lpg s ASP 100 Ca 0.00 2.21 -0.09 0.00 0.43 0.00 0.00 52.55 55.10 1lpg s ASP 100 Cb 0.00 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.05 1lpg s ASP 100 CO 0.00 -0.98 1.16 0.49 -0.17 0.00 0.00 175.17 175.67 1lpg n PHE 101 N -0.79 -2.80 -2.03 -5.34 3.01 -1.26 -2.36 117.46 105.89 1lpg n PHE 101 Ca 0.09 1.00 -0.42 0.00 1.01 0.00 0.00 57.45 59.13 1lpg n PHE 101 Cb 0.50 -4.94 0.00 0.00 -0.01 0.00 0.00 39.48 35.02 1lpg n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1lpg n ASP 102 N -3.01 4.27 -3.79 4.37 2.03 -1.19 -4.08 116.55 115.16 1lpg n ASP 102 Ca -0.00 -2.88 -0.13 0.00 0.52 0.00 0.00 54.79 52.30 1lpg n ASP 102 Cb 0.56 -1.67 -0.11 0.00 -0.72 0.00 0.00 41.12 39.18 1lpg n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1lpg s ILE 103 N 3.28 0.02 -0.05 5.18 2.07 -1.26 -3.94 121.20 126.50 1lpg s ILE 103 Ca 0.48 -0.16 -0.16 0.00 -1.41 0.00 0.00 60.65 59.41 1lpg s ILE 103 Cb 0.11 -0.43 0.03 0.00 0.13 0.00 0.00 42.46 42.30 1lpg s ILE 103 CO -0.04 -0.09 0.37 0.00 -1.91 0.00 0.00 174.94 173.27 1lpg s ALA 104 N -0.27 -0.92 -0.04 1.50 0.00 -0.08 -2.13 121.76 119.81 1lpg s ALA 104 Ca -0.04 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.58 1lpg s ALA 104 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1lpg s ALA 104 CO 0.01 -0.25 -0.22 0.08 0.00 0.00 0.00 175.76 175.38 1lpg s VAL 105 N -0.98 1.78 -0.11 0.00 1.01 0.13 -0.99 120.40 121.24 1lpg s VAL 105 Ca -0.10 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1lpg s VAL 105 Cb -0.04 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1lpg s VAL 105 CO 0.04 0.50 -0.16 -0.76 0.00 0.00 0.00 175.10 174.72 1lpg s LEU 106 N -0.17 2.56 -0.27 3.92 1.43 0.32 -0.16 118.68 126.32 1lpg s LEU 106 Ca -0.01 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 1lpg s LEU 106 Cb -0.12 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 1lpg s LEU 106 CO 0.02 0.19 0.18 -0.60 0.23 0.00 0.00 176.35 176.37 1lpg s ARG 107 N 0.21 3.99 0.36 1.70 6.06 -0.06 -1.18 118.95 130.02 1lpg s ARG 107 Ca -0.10 -0.30 -0.18 0.00 -2.50 0.00 0.00 55.73 52.65 1lpg s ARG 107 Cb -0.16 -3.62 -0.10 0.00 0.06 0.00 0.00 34.95 31.13 1lpg s ARG 107 CO 0.06 -0.10 0.82 -0.51 -2.50 0.00 0.00 175.30 173.07 1lpg s LEU 108 N 1.54 4.03 0.15 -0.88 1.43 0.10 0.66 118.68 125.71 1lpg s LEU 108 Ca 0.07 1.46 -0.14 0.00 -1.03 0.00 0.00 54.13 54.49 1lpg s LEU 108 Cb -0.15 -4.24 0.02 0.00 0.03 0.00 0.00 46.19 41.85 1lpg s LEU 108 CO 0.09 -0.25 1.66 0.11 0.23 0.00 0.00 176.35 178.18 1lpg h LYS 109 N 2.19 0.76 -6.51 1.70 1.57 -1.39 -3.41 116.57 111.48 1lpg h LYS 109 Ca -0.48 -0.18 -0.69 0.00 -1.87 0.00 0.00 60.65 57.44 1lpg h LYS 109 Cb 1.18 -0.10 -0.22 0.00 0.08 0.00 0.00 32.23 33.17 1lpg h LYS 109 CO 0.64 0.73 -0.79 0.95 -0.57 0.00 0.00 179.45 180.41 1lpg s THR 110 N -5.34 2.89 0.51 -0.16 -4.23 -1.26 -5.00 115.64 103.05 1lpg s THR 110 Ca -0.13 -1.07 -0.21 0.00 -1.18 0.00 0.00 61.69 59.10 1lpg s THR 110 Cb 0.11 -2.20 -0.07 0.00 1.34 0.00 0.00 72.50 71.68 1lpg s THR 110 CO 0.79 0.39 1.13 -2.16 -0.54 0.00 0.00 174.62 174.22 1lpg s PRO 111 N -1.31 3.54 0.05 3.99 0.04 -1.26 -4.85 135.00 135.20 1lpg s PRO 111 Ca 0.14 1.63 -0.28 0.00 0.04 0.00 0.00 61.00 62.53 1lpg s PRO 111 Cb -0.11 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1lpg s PRO 111 CO 0.05 -0.70 0.87 0.42 0.04 0.00 0.00 177.00 177.68 1lpg s ILE 112 N -1.73 4.69 -0.36 0.56 1.01 0.26 -5.00 121.20 120.63 1lpg s ILE 112 Ca 0.69 1.86 -0.18 0.00 0.00 0.00 0.00 60.65 63.02 1lpg s ILE 112 Cb -0.24 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.00 1lpg s ILE 112 CO 0.28 0.30 0.50 -0.89 0.00 0.00 0.00 174.94 175.14 1lpg s THR 113 N 0.21 5.02 0.55 2.92 2.01 -1.26 -4.73 115.64 120.36 1lpg s THR 113 Ca 0.44 0.23 -0.20 0.00 0.31 0.00 0.00 61.69 62.47 1lpg s THR 113 Cb -0.21 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1lpg s THR 113 CO 0.26 -0.25 1.18 -0.36 -0.69 0.00 0.00 174.62 174.76 1lpg s PHE 114 N 2.36 2.57 0.00 4.92 0.08 -1.26 -4.93 117.98 121.72 1lpg s PHE 114 Ca 0.18 1.52 -0.01 0.00 0.12 0.00 0.00 56.93 58.74 1lpg s PHE 114 Cb -0.16 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 1lpg s PHE 114 CO 0.14 -1.87 0.02 2.89 -0.10 0.00 0.00 175.22 176.30 1lpg n ARG 115 N -1.28 0.01 -1.69 0.44 1.85 0.04 -4.98 116.66 111.05 1lpg n ARG 115 Ca 0.12 -0.03 -0.45 0.00 -1.00 0.00 0.00 57.85 56.49 1lpg n ARG 115 Cb 0.50 0.04 -0.04 0.00 -1.05 0.00 0.00 32.46 31.91 1lpg n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1lpg n MET 116 N -0.02 2.34 -0.89 2.89 0.00 -1.26 -0.76 117.12 119.43 1lpg n MET 116 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 57.70 58.54 1lpg n MET 116 Cb 0.01 -2.63 0.00 0.00 0.00 0.00 0.00 33.22 30.61 1lpg n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1lpg n ASN 117 N 3.45 -1.34 -3.67 6.12 3.02 -1.26 -4.91 115.26 116.67 1lpg n ASN 117 Ca 0.16 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.42 1lpg n ASN 117 Cb 0.31 -1.08 -0.15 0.00 -0.61 0.00 0.00 39.78 38.25 1lpg n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1lpg s VAL 118 N -2.53 0.53 -0.03 2.41 1.01 0.06 -3.84 120.40 118.01 1lpg s VAL 118 Ca 0.00 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.55 1lpg s VAL 118 Cb 0.00 -1.40 0.07 0.00 0.00 0.00 0.00 36.38 35.05 1lpg s VAL 118 CO 0.00 -0.67 0.66 0.00 0.00 0.00 0.00 175.10 175.08 1lpg s ALA 119 N 1.80 -1.71 0.50 5.51 0.00 -0.65 -0.78 121.76 126.43 1lpg s ALA 119 Ca 0.09 1.19 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 1lpg s ALA 119 Cb -0.17 0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.97 1lpg s ALA 119 CO -0.29 -0.41 0.99 -1.25 0.00 0.00 0.00 175.76 174.81 1lpg s PRO 120 N -1.47 3.93 0.27 0.00 0.04 -1.26 -2.34 135.00 134.17 1lpg s PRO 120 Ca -0.10 1.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.96 1lpg s PRO 120 Cb -0.00 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1lpg s PRO 120 CO 0.07 -0.29 0.51 0.00 0.04 0.00 0.00 177.00 177.33 1lpg s ALA 121 N -2.46 3.69 0.19 8.56 0.00 -0.52 -4.86 121.76 126.36 1lpg s ALA 121 Ca 0.61 -0.69 -0.24 0.00 0.00 0.00 0.00 51.96 51.64 1lpg s ALA 121 Cb -0.11 -2.19 -0.08 0.00 0.00 0.00 0.00 23.12 20.74 1lpg s ALA 121 CO 0.27 0.26 0.78 0.00 0.00 0.00 0.00 175.76 177.07 1lpg s LEU 123 N -1.40 4.08 0.79 0.00 1.43 -1.26 -0.10 118.68 122.23 1lpg s LEU 123 Ca 0.38 0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 53.88 1lpg s LEU 123 Cb -0.21 -2.56 0.14 0.00 0.03 0.00 0.00 46.19 43.59 1lpg s LEU 123 CO 0.25 -0.19 1.10 -2.16 0.23 0.00 0.00 176.35 175.58 1lpg s PRO 124 N 1.90 1.44 0.20 1.29 0.04 -1.26 -4.98 135.00 133.63 1lpg s PRO 124 Ca 0.19 -0.75 -0.15 0.00 0.04 0.00 0.00 61.00 60.32 1lpg s PRO 124 Cb -0.15 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 1lpg s PRO 124 CO 0.09 -1.71 0.63 -1.21 0.04 0.00 0.00 177.00 174.83 1lpg s GLU 124 N -5.39 4.04 0.07 4.56 2.02 -1.26 -4.96 118.70 117.78 1lpg s GLU 124 Ca 0.68 0.60 -0.32 0.00 0.02 0.00 0.00 54.97 55.95 1lpg s GLU 124 Cb -0.06 -2.81 -0.15 0.00 0.10 0.00 0.00 34.13 31.21 1lpg s GLU 124 CO 0.47 0.39 1.49 -0.09 0.02 0.00 0.00 175.26 177.54 1lpg h ARG 125 N 3.21 -0.88 -0.23 1.61 2.43 -1.98 0.63 114.38 119.16 1lpg h ARG 125 Ca -0.48 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 58.81 1lpg h ARG 125 Cb 1.19 0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 30.87 1lpg h ARG 125 CO 0.66 -0.59 -0.22 -0.44 -1.51 0.00 0.00 179.97 177.87 1lpg h ASP 126 N -0.92 -0.72 -0.68 -3.80 5.19 -1.95 -0.91 116.42 112.63 1lpg h ASP 126 Ca -0.06 0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 1lpg h ASP 126 Cb 0.79 0.34 -0.03 0.00 0.18 0.00 0.00 39.33 40.61 1lpg h ASP 126 CO -0.03 -0.26 0.31 -0.25 -3.12 0.00 0.00 179.24 175.88 1lpg h TRP 127 N -0.23 1.00 -0.44 4.55 7.01 -1.98 -1.02 115.95 124.83 1lpg h TRP 127 Ca 0.13 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 1lpg h TRP 127 Cb 0.44 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 1lpg h TRP 127 CO -0.38 0.76 0.27 0.00 -2.79 0.00 0.00 178.44 176.30 1lpg h ALA 128 N 1.14 0.56 -0.40 2.65 0.00 -0.42 0.43 119.26 123.23 1lpg h ALA 128 Ca 0.23 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1lpg h ALA 128 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1lpg h ALA 128 CO -0.03 0.05 -0.32 0.93 0.00 0.00 0.00 179.25 179.88 1lpg h GLU 129 N 0.59 0.91 0.07 0.00 5.08 -1.00 0.31 114.58 120.53 1lpg h GLU 129 Ca 0.16 -0.44 -0.25 0.00 -1.00 0.00 0.00 59.36 57.83 1lpg h GLU 129 Cb -0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1lpg h GLU 129 CO -0.03 1.10 -1.19 0.66 -1.00 0.00 0.00 179.01 178.55 1lpg h SER 130 N 0.76 0.22 0.00 1.42 4.64 -1.11 -3.37 113.55 116.11 1lpg h SER 130 Ca 0.08 -0.24 -0.24 0.00 -0.47 0.00 0.00 61.79 60.91 1lpg h SER 130 Cb 0.90 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.88 1lpg h SER 130 CO 0.08 1.19 -1.90 0.41 -0.87 0.00 0.00 176.83 175.75 1lpg n THR 131 N -3.42 0.90 0.02 2.95 -1.04 0.15 -4.47 114.28 109.37 1lpg n THR 131 Ca -0.06 -0.32 -0.20 0.00 -2.04 0.00 0.00 64.05 61.43 1lpg n THR 131 Cb 0.99 -1.18 -0.14 0.00 -1.82 0.00 0.00 70.33 68.18 1lpg n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1lpg h LEU 131 N -0.12 0.40 0.00 -4.42 3.38 -0.56 -3.30 115.31 110.69 1lpg h LEU 131 Ca -0.36 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 56.70 1lpg h LEU 131 Cb 1.51 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1lpg h LEU 131 CO -0.09 1.45 0.00 0.23 0.09 0.00 0.00 178.44 180.12 1lpg n MET 131 N -4.09 0.76 -0.10 1.13 2.81 0.71 -1.80 117.12 116.53 1lpg n MET 131 Ca -0.18 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.77 1lpg n MET 131 Cb 0.83 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.95 1lpg n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1lpg n THR 132 N -1.00 0.51 -1.41 2.03 -2.24 -1.25 -4.97 114.28 105.96 1lpg n THR 132 Ca 0.18 -0.76 -0.29 0.00 -2.27 0.00 0.00 64.05 60.92 1lpg n THR 132 Cb 0.08 0.87 0.14 0.00 -2.10 0.00 0.00 70.33 69.32 1lpg n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1lpg s GLN 133 N -1.01 1.12 0.07 -0.78 -1.52 -0.75 -4.98 119.66 111.80 1lpg s GLN 133 Ca 0.20 0.45 -0.17 0.00 -1.95 0.00 0.00 55.36 53.89 1lpg s GLN 133 Cb 0.12 -1.82 -0.12 0.00 -0.22 0.00 0.00 33.01 30.96 1lpg s GLN 133 CO 0.16 -2.25 1.36 0.87 -0.25 0.00 0.00 175.29 175.19 1lpg h LYS 134 N -1.54 0.54 -4.93 2.91 1.57 -1.93 -3.42 116.57 109.77 1lpg h LYS 134 Ca -0.51 -0.31 -0.43 0.00 -1.87 0.00 0.00 60.65 57.53 1lpg h LYS 134 Cb 1.32 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.51 1lpg h LYS 134 CO 0.60 0.90 -0.56 0.95 -0.57 0.00 0.00 179.45 180.77 1lpg s THR 135 N -4.22 0.46 0.32 -0.16 -4.23 -1.26 -1.46 115.64 105.09 1lpg s THR 135 Ca -0.13 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.42 1lpg s THR 135 Cb 0.07 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 1lpg s THR 135 CO 0.80 0.00 0.18 -0.83 -0.54 0.00 0.00 174.62 174.23 1lpg s GLY 136 N -3.41 2.18 -0.08 3.99 0.00 0.00 -4.73 107.32 105.28 1lpg s GLY 136 Ca 0.34 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 43.32 1lpg s GLY 136 CO 0.17 -1.58 -0.10 -0.42 0.00 0.00 0.00 173.10 171.16 1lpg s ILE 137 N -3.54 1.07 0.09 0.90 1.01 0.13 -0.59 121.20 120.28 1lpg s ILE 137 Ca 0.35 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.66 1lpg s ILE 137 Cb 0.04 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1lpg s ILE 137 CO 0.19 0.35 -0.05 0.54 0.00 0.00 0.00 174.94 175.98 1lpg s VAL 138 N 1.04 3.72 0.11 2.92 0.11 0.19 -0.96 120.40 127.53 1lpg s VAL 138 Ca -0.08 -1.11 -0.14 0.00 -2.93 0.00 0.00 61.98 57.73 1lpg s VAL 138 Cb -0.15 -2.76 0.02 0.00 -1.53 0.00 0.00 36.38 31.97 1lpg s VAL 138 CO -0.01 0.12 0.33 -0.94 -3.33 0.00 0.00 175.10 171.27 1lpg s SER 139 N -2.24 -0.11 0.00 3.54 1.04 -1.16 0.29 113.70 115.06 1lpg s SER 139 Ca 0.24 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1lpg s SER 139 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1lpg s SER 139 CO 0.16 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1lpg n GLY 140 N -0.12 0.27 1.53 7.32 0.00 0.36 -4.31 105.19 110.23 1lpg n GLY 140 Ca -0.16 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.76 1lpg n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1lpg n PHE 141 N -0.90 1.31 -0.32 1.61 3.72 -1.26 -1.77 117.46 119.85 1lpg n PHE 141 Ca 0.00 -0.56 -0.16 0.00 -0.05 0.00 0.00 57.45 56.67 1lpg n PHE 141 Cb 0.00 -0.15 0.15 0.00 -0.94 0.00 0.00 39.48 38.54 1lpg n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1lpg n GLY 142 N 1.38 -3.50 3.76 1.37 0.00 -1.26 -1.09 105.19 105.86 1lpg n GLY 142 Ca 0.26 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 1lpg n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lpg n ARG 143 N -3.83 2.38 0.01 1.61 1.74 0.04 -2.11 116.66 116.50 1lpg n ARG 143 Ca 0.08 0.84 0.13 0.00 -0.77 0.00 0.00 57.85 58.12 1lpg n ARG 143 Cb 0.32 -2.63 0.37 0.00 -1.02 0.00 0.00 32.46 29.49 1lpg n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1lpg n THR 144 N -0.01 0.05 -3.62 0.55 -2.24 -1.14 -0.54 114.28 107.34 1lpg n THR 144 Ca 0.04 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1lpg n THR 144 Cb 0.40 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 1lpg n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1lpg s HIS 145 N -3.02 -0.37 0.28 4.78 3.76 -1.26 -4.31 115.29 115.15 1lpg s HIS 145 Ca 0.12 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 1lpg s HIS 145 Cb 0.17 0.28 0.64 0.00 1.11 0.00 0.00 32.58 34.78 1lpg s HIS 145 CO 0.64 -0.59 1.67 1.49 -0.85 0.00 0.00 174.74 177.11 1lpg h GLU 147 N 3.00 0.27 -0.20 1.40 4.81 -1.90 -0.29 114.58 121.67 1lpg h GLU 147 Ca -0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1lpg h GLU 147 Cb 1.20 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1lpg h GLU 147 CO 0.42 0.18 0.00 1.63 -0.73 0.00 0.00 179.01 180.51 1lpg n LYS 148 N -5.16 2.08 -1.87 1.92 5.02 -1.26 -4.97 118.16 113.92 1lpg n LYS 148 Ca 0.19 -1.93 -0.30 0.00 -2.02 0.00 0.00 58.31 54.25 1lpg n LYS 148 Cb 0.61 -1.41 0.19 0.00 -0.02 0.00 0.00 35.03 34.39 1lpg n LYS 148 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1lpg s GLY 149 N -1.47 1.77 0.51 0.72 0.00 -0.12 -5.08 107.32 103.66 1lpg s GLY 149 Ca 0.29 -1.20 0.08 0.00 0.00 0.00 0.00 44.72 43.89 1lpg s GLY 149 CO 0.26 -0.42 0.71 1.09 0.00 0.00 0.00 173.10 174.74 1lpg s ARG 150 N -5.87 2.51 0.76 2.90 1.70 -1.26 -4.73 118.95 114.96 1lpg s ARG 150 Ca 0.74 -1.43 -0.15 0.00 -0.47 0.00 0.00 55.73 54.43 1lpg s ARG 150 Cb -0.04 -2.68 0.05 0.00 -0.57 0.00 0.00 34.95 31.71 1lpg s ARG 150 CO 0.53 -0.63 1.16 0.94 -1.08 0.00 0.00 175.30 176.22 1lpg n GLN 151 N -2.10 0.45 -3.38 3.89 -0.06 -1.26 -2.87 117.38 112.04 1lpg n GLN 151 Ca 0.12 0.22 -0.38 0.00 -2.00 0.00 0.00 57.00 54.96 1lpg n GLN 151 Cb 0.60 -2.40 -0.06 0.00 -4.06 0.00 0.00 30.24 24.32 1lpg n GLN 151 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1lpg s SER 152 N -1.85 6.88 0.02 1.69 0.15 -0.25 -4.82 113.70 115.53 1lpg s SER 152 Ca 0.75 1.05 0.25 0.00 0.70 0.00 0.00 55.95 58.71 1lpg s SER 152 Cb -0.32 -2.30 0.57 0.00 -1.71 0.00 0.00 66.02 62.26 1lpg s SER 152 CO 0.49 0.25 1.47 0.35 1.20 0.00 0.00 173.24 176.99 1lpg n THR 153 N 2.12 0.07 -4.72 6.45 -2.24 -1.26 -4.75 114.28 109.95 1lpg n THR 153 Ca -0.11 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 1lpg n THR 153 Cb 0.52 0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.69 1lpg n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1lpg s ARG 154 N -3.03 2.91 -0.01 -0.78 1.81 -1.26 -0.26 118.95 118.33 1lpg s ARG 154 Ca 0.10 -0.62 -0.30 0.00 -1.72 0.00 0.00 55.73 53.19 1lpg s ARG 154 Cb 0.17 -2.57 -0.05 0.00 -0.45 0.00 0.00 34.95 32.05 1lpg s ARG 154 CO 0.68 0.51 1.32 -1.17 -0.68 0.00 0.00 175.30 175.96 1lpg s LEU 155 N -0.41 4.31 0.32 2.53 2.96 0.61 -4.69 118.68 124.31 1lpg s LEU 155 Ca 0.05 2.02 0.09 0.00 -0.22 0.00 0.00 54.13 56.08 1lpg s LEU 155 Cb -0.12 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1lpg s LEU 155 CO 0.02 -0.65 -0.02 -0.54 -1.32 0.00 0.00 176.35 173.84 1lpg s LYS 156 N 2.17 2.05 0.09 1.98 1.02 -0.73 -0.16 119.74 126.16 1lpg s LYS 156 Ca 0.61 -1.71 0.01 0.00 0.02 0.00 0.00 55.97 54.89 1lpg s LYS 156 Cb -0.29 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1lpg s LYS 156 CO 0.25 0.19 -0.04 0.00 -0.92 0.00 0.00 175.35 174.84 1lpg s MET 157 N -3.68 0.77 -0.21 1.68 0.23 -0.02 -0.49 119.30 117.59 1lpg s MET 157 Ca 0.34 -1.31 -0.14 0.00 -1.03 0.00 0.00 55.69 53.54 1lpg s MET 157 Cb -0.01 -0.03 0.06 0.00 -1.53 0.00 0.00 34.83 33.32 1lpg s MET 157 CO 0.19 -0.07 0.52 -1.17 -2.03 0.00 0.00 175.02 172.45 1lpg s LEU 158 N -3.01 -0.26 -0.18 0.18 2.96 0.14 -1.62 118.68 116.89 1lpg s LEU 158 Ca 0.12 1.10 -0.25 0.00 -0.22 0.00 0.00 54.13 54.88 1lpg s LEU 158 Cb 0.06 1.77 -0.01 0.00 0.50 0.00 0.00 46.19 48.51 1lpg s LEU 158 CO -0.06 -0.20 0.83 -0.70 -1.32 0.00 0.00 176.35 174.91 1lpg s GLU 159 N 1.02 4.28 -0.17 1.98 2.12 -1.26 -0.64 118.70 126.03 1lpg s GLU 159 Ca -0.06 1.01 0.01 0.00 0.36 0.00 0.00 54.97 56.29 1lpg s GLU 159 Cb -0.06 -3.58 0.02 0.00 0.26 0.00 0.00 34.13 30.77 1lpg s GLU 159 CO -0.09 -0.36 -0.17 0.14 -0.54 0.00 0.00 175.26 174.24 1lpg s VAL 160 N 2.25 1.88 0.51 3.70 -7.23 0.24 -4.94 120.40 116.81 1lpg s VAL 160 Ca 0.38 -0.86 -0.23 0.00 -1.81 0.00 0.00 61.98 59.47 1lpg s VAL 160 Cb -0.16 -1.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.98 1lpg s VAL 160 CO 0.12 0.49 1.31 -2.84 -0.31 0.00 0.00 175.10 173.87 1lpg s PRO 161 N 1.36 3.38 0.32 4.82 0.02 -1.26 -0.82 135.00 142.83 1lpg s PRO 161 Ca 0.04 2.14 -0.28 0.00 0.02 0.00 0.00 61.00 62.92 1lpg s PRO 161 Cb -0.13 -2.36 -0.09 0.00 0.02 0.00 0.00 34.50 31.94 1lpg s PRO 161 CO -0.12 -0.96 1.16 0.71 -0.33 0.00 0.00 177.00 177.45 1lpg s TYR 162 N -1.35 3.33 -0.14 6.54 2.02 -0.54 -1.87 117.35 125.34 1lpg s TYR 162 Ca 0.68 1.60 -0.05 0.00 -0.37 0.00 0.00 57.07 58.93 1lpg s TYR 162 Cb -0.38 -3.38 -0.04 0.00 -0.40 0.00 0.00 41.96 37.76 1lpg s TYR 162 CO 0.45 -1.00 0.03 0.08 -1.57 0.00 0.00 175.55 173.54 1lpg s VAL 163 N -1.24 4.49 0.13 0.71 1.01 -0.73 -4.87 120.40 119.89 1lpg s VAL 163 Ca 0.49 -0.16 -0.35 0.00 0.00 0.00 0.00 61.98 61.97 1lpg s VAL 163 Cb -0.33 -2.97 -0.15 0.00 0.00 0.00 0.00 36.38 32.93 1lpg s VAL 163 CO 0.42 0.52 1.38 -0.67 0.00 0.00 0.00 175.10 176.76 1lpg n ASP 164 N 3.03 2.09 -0.21 3.32 2.03 -1.26 -4.58 116.55 120.98 1lpg n ASP 164 Ca -0.18 1.11 0.01 0.00 0.52 0.00 0.00 54.79 56.26 1lpg n ASP 164 Cb 0.53 -1.28 0.12 0.00 -0.72 0.00 0.00 41.12 39.77 1lpg n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1lpg h ARG 165 N 4.71 0.26 -0.13 -0.67 2.43 -1.97 0.59 114.38 119.59 1lpg h ARG 165 Ca -0.46 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1lpg h ARG 165 Cb 1.31 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1lpg h ARG 165 CO 0.79 0.17 0.07 -0.97 -1.51 0.00 0.00 179.97 178.53 1lpg h ASN 166 N 0.27 0.16 -0.60 -3.80 -0.00 -1.99 -0.71 115.58 108.90 1lpg h ASN 166 Ca 0.33 -0.08 -0.01 0.00 -0.00 0.00 0.00 56.30 56.54 1lpg h ASN 166 Cb 0.50 -0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.74 1lpg h ASN 166 CO -0.41 0.19 0.33 0.28 -0.00 0.00 0.00 177.43 177.82 1lpg h SER 167 N 0.12 0.76 0.49 1.15 0.02 -1.73 0.35 113.55 114.71 1lpg h SER 167 Ca 0.05 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1lpg h SER 167 Cb 0.07 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1lpg h SER 167 CO -0.01 0.62 -0.28 0.00 -1.14 0.00 0.00 176.83 176.02 1lpg h LYS 169 N -0.73 0.99 -0.58 0.00 1.57 -0.55 -1.37 116.57 115.89 1lpg h LYS 169 Ca -0.06 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1lpg h LYS 169 Cb 0.59 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1lpg h LYS 169 CO 0.07 0.66 0.17 -0.07 -0.57 0.00 0.00 179.45 179.71 1lpg h LEU 170 N 1.02 0.82 -0.53 2.94 3.38 -0.52 -3.03 115.31 119.39 1lpg h LEU 170 Ca 0.41 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 1lpg h LEU 170 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1lpg h LEU 170 CO -0.19 0.78 -0.68 0.77 0.09 0.00 0.00 178.44 179.21 1lpg h SER 171 N 0.85 0.31 -3.61 -0.43 4.64 0.11 -3.46 113.55 111.96 1lpg h SER 171 Ca 0.19 -0.20 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 1lpg h SER 171 Cb 0.26 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1lpg h SER 171 CO -0.01 0.90 0.49 -0.55 -0.87 0.00 0.00 176.83 176.79 1lpg s SER 172 N -6.92 7.23 0.00 4.97 0.15 -0.97 -4.88 113.70 113.29 1lpg s SER 172 Ca -0.04 2.17 0.27 0.00 0.70 0.00 0.00 55.95 59.05 1lpg s SER 172 Cb 0.11 -2.61 0.88 0.00 -1.71 0.00 0.00 66.02 62.70 1lpg s SER 172 CO 0.81 -0.23 1.67 -1.20 1.20 0.00 0.00 173.24 175.49 1lpg n SER 173 N 2.07 0.40 -4.31 5.45 7.64 -1.26 -4.83 113.62 118.79 1lpg n SER 173 Ca 0.02 -0.17 -0.19 0.00 1.01 0.00 0.00 58.87 59.54 1lpg n SER 173 Cb 0.45 -0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.51 1lpg n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1lpg s PHE 174 N -2.84 1.65 0.23 1.43 0.08 -1.26 -5.11 117.98 112.16 1lpg s PHE 174 Ca 0.17 -0.54 -0.31 0.00 0.12 0.00 0.00 56.93 56.37 1lpg s PHE 174 Cb 0.19 -0.81 -0.11 0.00 -0.57 0.00 0.00 43.02 41.71 1lpg s PHE 174 CO 0.59 0.28 1.65 -1.50 -0.10 0.00 0.00 175.22 176.14 1lpg s ILE 175 N -2.43 2.14 -0.62 0.64 2.07 -1.26 -4.95 121.20 116.79 1lpg s ILE 175 Ca 0.16 0.11 -0.10 0.00 -1.41 0.00 0.00 60.65 59.41 1lpg s ILE 175 Cb -0.03 -3.07 0.16 0.00 0.13 0.00 0.00 42.46 39.65 1lpg s ILE 175 CO 0.05 0.01 0.51 -0.63 -1.91 0.00 0.00 174.94 172.97 1lpg s ILE 176 N 0.71 4.60 1.01 2.00 -1.09 -1.26 -5.03 121.20 122.14 1lpg s ILE 176 Ca 0.70 -2.25 -0.12 0.00 -2.23 0.00 0.00 60.65 56.75 1lpg s ILE 176 Cb -0.48 -3.95 0.19 0.00 -1.58 0.00 0.00 42.46 36.65 1lpg s ILE 176 CO 0.38 -0.88 1.08 0.42 -1.23 0.00 0.00 174.94 174.71 1lpg s THR 177 N 0.69 2.17 -1.30 2.92 -4.23 -1.26 -4.90 115.64 109.72 1lpg s THR 177 Ca 0.12 0.05 0.11 0.00 -1.18 0.00 0.00 61.69 60.79 1lpg s THR 177 Cb -0.20 -2.47 0.16 0.00 1.34 0.00 0.00 72.50 71.32 1lpg s THR 177 CO -0.03 -0.07 1.27 0.00 -0.54 0.00 0.00 174.62 175.25 1lpg n GLN 178 N -4.24 0.11 -0.52 3.99 0.00 -1.26 -1.56 117.38 113.89 1lpg n GLN 178 Ca 0.05 0.22 0.10 0.00 0.00 0.00 0.00 57.00 57.37 1lpg n GLN 178 Cb 0.56 -1.50 0.33 0.00 0.00 0.00 0.00 30.24 29.64 1lpg n GLN 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1lpg n ASN 179 N -1.35 4.31 -4.27 2.61 3.02 -1.26 -4.89 115.26 113.42 1lpg n ASN 179 Ca 0.04 -2.29 -0.15 0.00 -0.03 0.00 0.00 54.58 52.16 1lpg n ASN 179 Cb 0.10 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.63 1lpg n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1lpg s MET 180 N -1.59 1.15 0.02 3.52 -1.94 -0.60 -0.18 119.30 119.68 1lpg s MET 180 Ca 0.48 -1.54 -0.22 0.00 -1.71 0.00 0.00 55.69 52.70 1lpg s MET 180 Cb 0.29 -0.51 0.05 0.00 2.01 0.00 0.00 34.83 36.67 1lpg s MET 180 CO 0.26 -0.04 0.50 -0.59 -0.01 0.00 0.00 175.02 175.15 1lpg s PHE 181 N -3.45 -0.40 0.08 -0.03 -0.12 -0.52 -4.75 117.98 108.78 1lpg s PHE 181 Ca 0.22 0.51 -0.01 0.00 -0.05 0.00 0.00 56.93 57.61 1lpg s PHE 181 Cb 0.05 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 1lpg s PHE 181 CO 0.04 -0.59 0.24 0.00 -0.05 0.00 0.00 175.22 174.86 1lpg s ALA 183 N -1.56 -1.15 0.00 0.00 0.00 -0.11 -1.77 121.76 117.17 1lpg s ALA 183 Ca 0.36 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1lpg s ALA 183 Cb -0.13 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1lpg s ALA 183 CO 0.28 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1lpg n GLY 184 N 2.37 0.70 3.29 0.00 0.00 -0.78 -0.28 105.19 110.48 1lpg n GLY 184 Ca -0.15 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 1lpg n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lpg s TYR 185 N -3.92 1.56 -0.09 1.61 2.02 -1.26 -4.04 117.35 113.24 1lpg s TYR 185 Ca 0.00 -0.57 -0.27 0.00 -0.37 0.00 0.00 57.07 55.86 1lpg s TYR 185 Cb 0.00 -0.78 -0.24 0.00 -0.40 0.00 0.00 41.96 40.54 1lpg s TYR 185 CO 0.00 0.24 0.94 0.22 -1.57 0.00 0.00 175.55 175.38 1lpg h ASP 185 N 3.09 0.07 0.00 2.29 3.58 -1.92 -3.42 116.42 120.10 1lpg h ASP 185 Ca -0.39 -0.84 0.00 0.00 0.42 0.00 0.00 57.03 56.22 1lpg h ASP 185 Cb 1.20 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1lpg h ASP 185 CO 0.56 0.90 -0.70 0.35 -2.88 0.00 0.00 179.24 177.46 1lpg n THR 185 N -4.62 0.00 -1.67 2.25 -2.24 -1.26 0.54 114.28 107.27 1lpg n THR 185 Ca -0.10 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.22 1lpg n THR 185 Cb 0.45 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 1lpg n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1lpg n LYS 186 N -1.36 2.16 -1.27 -0.78 4.81 -1.26 -4.77 118.16 115.69 1lpg n LYS 186 Ca 0.00 0.78 -0.43 0.00 -0.87 0.00 0.00 58.31 57.79 1lpg n LYS 186 Cb 0.22 -2.55 -0.04 0.00 0.02 0.00 0.00 35.03 32.68 1lpg n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1lpg n GLN 187 N 3.50 1.83 -3.72 1.64 1.13 -1.26 -4.71 117.38 115.78 1lpg n GLN 187 Ca 0.17 -2.00 -0.13 0.00 -1.94 0.00 0.00 57.00 53.10 1lpg n GLN 187 Cb 0.29 -2.99 -0.13 0.00 0.11 0.00 0.00 30.24 27.52 1lpg n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1lpg s GLU 188 N 4.54 0.19 0.00 -1.09 2.02 -1.26 -4.09 118.70 119.01 1lpg s GLU 188 Ca 0.55 0.56 0.00 0.00 0.02 0.00 0.00 54.97 56.09 1lpg s GLU 188 Cb 0.14 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.26 1lpg s GLU 188 CO 0.07 -0.18 0.00 -3.47 0.02 0.00 0.00 175.26 171.69 1lpg n ASP 189 N 4.41 0.00 -4.26 -0.19 2.03 -1.05 -4.24 116.55 113.25 1lpg n ASP 189 Ca -0.22 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.80 1lpg n ASP 189 Cb 0.52 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.14 1lpg n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1lpg s ALA 190 N -2.00 0.44 0.07 -1.67 0.00 -1.26 -0.39 121.76 116.95 1lpg s ALA 190 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1lpg s ALA 190 Cb 0.00 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 20.09 1lpg s ALA 190 CO 0.00 -3.42 0.12 0.00 0.00 0.00 0.00 175.76 172.46 1lpg s GLN 192 N -2.10 4.18 0.00 0.00 0.74 -1.26 -2.00 119.66 119.21 1lpg s GLN 192 Ca 0.05 2.36 0.00 0.00 0.05 0.00 0.00 55.36 57.82 1lpg s GLN 192 Cb -0.00 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 31.13 1lpg s GLN 192 CO 0.03 -0.39 0.00 0.41 -0.55 0.00 0.00 175.29 174.79 1lpg n GLY 193 N 0.63 2.68 0.13 2.59 0.00 -1.26 -0.78 105.19 109.18 1lpg n GLY 193 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1lpg n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1lpg h ASP 194 N 0.28 0.00 -2.06 1.61 3.32 -1.71 -3.33 116.42 114.54 1lpg h ASP 194 Ca 0.00 -0.06 -0.64 0.00 0.02 0.00 0.00 57.03 56.35 1lpg h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1lpg h ASP 194 CO 0.00 0.03 0.19 -1.20 -1.72 0.00 0.00 179.24 176.54 1lpg n SER 195 N -2.54 1.22 0.00 6.45 7.64 -1.25 -1.15 113.62 123.99 1lpg n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1lpg n SER 195 Cb 0.49 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1lpg n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lpg n GLY 196 N 1.77 2.12 3.74 0.23 0.00 0.42 0.47 105.19 113.94 1lpg n GLY 196 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1lpg n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lpg s GLY 197 N -1.99 1.68 0.30 -0.02 0.00 -0.30 -2.97 107.32 104.01 1lpg s GLY 197 Ca 0.00 -1.10 -0.27 0.00 0.00 0.00 0.00 44.72 43.35 1lpg s GLY 197 CO 0.00 -0.25 0.94 -4.14 0.00 0.00 0.00 173.10 169.65 1lpg s PRO 198 N -5.65 4.64 -0.22 2.90 0.02 -1.26 -1.64 135.00 133.80 1lpg s PRO 198 Ca 0.73 1.35 -0.01 0.00 0.02 0.00 0.00 61.00 63.09 1lpg s PRO 198 Cb -0.06 -2.92 0.06 0.00 0.02 0.00 0.00 34.50 31.60 1lpg s PRO 198 CO 0.55 0.34 0.02 -1.58 -0.33 0.00 0.00 177.00 176.00 1lpg s HIS 199 N -1.50 1.54 0.29 6.54 2.46 -0.97 -2.97 115.29 120.68 1lpg s HIS 199 Ca 0.48 -1.25 0.11 0.00 0.47 0.00 0.00 55.06 54.87 1lpg s HIS 199 Cb -0.20 -1.29 -0.05 0.00 -0.13 0.00 0.00 32.58 30.91 1lpg s HIS 199 CO 0.26 -0.69 -0.14 0.14 -2.47 0.00 0.00 174.74 171.83 1lpg s VAL 200 N 1.68 2.62 -0.07 0.89 -7.23 -0.13 -0.69 120.40 117.47 1lpg s VAL 200 Ca -0.01 -2.27 0.02 0.00 -1.81 0.00 0.00 61.98 57.91 1lpg s VAL 200 Cb -0.18 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1lpg s VAL 200 CO -0.09 -0.36 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.31 1lpg s THR 201 N -2.49 1.27 0.08 5.32 2.01 0.17 0.20 115.64 122.21 1lpg s THR 201 Ca 0.31 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.51 1lpg s THR 201 Cb -0.04 -1.15 -0.06 0.00 0.01 0.00 0.00 72.50 71.25 1lpg s THR 201 CO 0.16 0.39 0.76 -0.60 -0.69 0.00 0.00 174.62 174.64 1lpg s ARG 202 N 0.66 4.50 -0.21 4.92 3.52 -1.26 -1.10 118.95 129.99 1lpg s ARG 202 Ca -0.14 1.08 -0.04 0.00 -0.13 0.00 0.00 55.73 56.50 1lpg s ARG 202 Cb -0.16 -3.32 0.09 0.00 -1.56 0.00 0.00 34.95 30.00 1lpg s ARG 202 CO 0.04 0.39 0.21 0.12 -0.81 0.00 0.00 175.30 175.25 1lpg s PHE 203 N -0.46 -0.21 -1.41 5.12 5.36 0.95 -4.89 117.98 122.45 1lpg s PHE 203 Ca 0.37 0.10 -0.09 0.00 -0.96 0.00 0.00 56.93 56.35 1lpg s PHE 203 Cb -0.21 -0.42 0.04 0.00 -0.34 0.00 0.00 43.02 42.08 1lpg s PHE 203 CO 0.24 -0.61 1.04 1.63 -1.46 0.00 0.00 175.22 176.05 1lpg n LYS 204 N 5.31 -6.54 -0.98 10.12 5.02 -1.26 -1.85 118.16 127.98 1lpg n LYS 204 Ca -0.06 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1lpg n LYS 204 Cb 0.49 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 1lpg n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1lpg n ASP 205 N -2.96 -2.84 -4.29 4.39 8.00 -1.26 -5.01 116.55 112.58 1lpg n ASP 205 Ca -0.04 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.14 1lpg n ASP 205 Cb 0.57 -0.98 -0.16 0.00 -0.02 0.00 0.00 41.12 40.53 1lpg n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1lpg s THR 206 N -2.14 2.49 -0.24 -3.53 2.01 -0.77 -5.11 115.64 108.35 1lpg s THR 206 Ca 0.00 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.01 1lpg s THR 206 Cb 0.00 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 1lpg s THR 206 CO 0.00 0.55 0.25 -0.31 -0.69 0.00 0.00 174.62 174.41 1lpg s TYR 207 N 0.29 3.30 0.02 4.92 1.51 -1.26 -0.03 117.35 126.10 1lpg s TYR 207 Ca -0.14 0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.28 1lpg s TYR 207 Cb -0.17 -2.39 -0.03 0.00 -0.11 0.00 0.00 41.96 39.26 1lpg s TYR 207 CO 0.07 -0.03 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.35 1lpg s PHE 208 N 1.37 2.86 0.03 2.71 0.08 -0.26 -2.24 117.98 122.53 1lpg s PHE 208 Ca 0.11 -0.06 -0.30 0.00 0.12 0.00 0.00 56.93 56.79 1lpg s PHE 208 Cb -0.14 -1.58 -0.06 0.00 -0.57 0.00 0.00 43.02 40.66 1lpg s PHE 208 CO 0.07 0.38 1.47 0.08 -0.10 0.00 0.00 175.22 177.11 1lpg s VAL 209 N -1.03 3.48 0.00 -0.44 1.01 0.86 -0.65 120.40 123.63 1lpg s VAL 209 Ca 0.18 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1lpg s VAL 209 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1lpg s VAL 209 CO 0.09 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.54 1lpg n THR 210 N 4.60 0.00 -3.78 3.92 -2.24 0.13 -4.58 114.28 112.33 1lpg n THR 210 Ca 0.14 -0.25 -0.04 0.00 -2.27 0.00 0.00 64.05 61.63 1lpg n THR 210 Cb 0.43 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 1lpg n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1lpg s GLY 211 N -0.90 -0.14 -0.08 3.38 0.00 -0.75 -3.24 107.32 105.58 1lpg s GLY 211 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.71 1lpg s GLY 211 CO 0.00 0.28 -0.10 -0.42 0.00 0.00 0.00 173.10 172.86 1lpg s ILE 212 N -3.16 1.04 -0.06 0.90 1.01 -1.19 -2.29 121.20 117.46 1lpg s ILE 212 Ca 0.14 -0.38 -0.35 0.00 0.00 0.00 0.00 60.65 60.06 1lpg s ILE 212 Cb -0.02 -1.00 -0.13 0.00 0.01 0.00 0.00 42.46 41.33 1lpg s ILE 212 CO 0.04 0.35 1.80 0.52 0.00 0.00 0.00 174.94 177.65 1lpg n VAL 213 N 4.25 0.44 -0.01 2.92 0.31 -0.65 -1.47 118.33 124.12 1lpg n VAL 213 Ca -0.19 -0.08 -0.03 0.00 -0.01 0.00 0.00 64.34 64.03 1lpg n VAL 213 Cb 0.51 -1.74 -0.01 0.00 -0.91 0.00 0.00 33.84 31.69 1lpg n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1lpg n SER 214 N 5.87 0.87 -0.95 4.52 2.88 -0.54 -0.44 113.62 125.84 1lpg n SER 214 Ca 0.22 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1lpg n SER 214 Cb 0.28 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1lpg n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1lpg n TRP 215 N -3.34 -0.68 0.00 0.66 4.27 -0.76 -4.86 117.44 112.73 1lpg n TRP 215 Ca -0.04 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.57 1lpg n TRP 215 Cb 0.16 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.11 1lpg n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1lpg n GLY 216 N 0.00 -0.27 3.26 -1.67 0.00 -1.26 -0.47 105.19 104.78 1lpg n GLY 216 Ca 0.00 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.56 1lpg n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lpg s GLU 217 N -2.00 2.76 3.95 1.61 2.02 -1.26 -4.95 118.70 120.83 1lpg s GLU 217 Ca 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.24 1lpg s GLU 217 Cb 0.00 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 30.10 1lpg s GLU 217 CO 0.00 -1.27 0.00 0.41 0.02 0.00 0.00 175.26 174.42 1lpg n GLY 219 N 5.07 0.50 3.20 -1.39 0.00 -1.26 -4.48 105.19 106.84 1lpg n GLY 219 Ca -0.11 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 1lpg n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lpg n ALA 221 N 5.32 -0.44 -2.15 0.00 0.00 -1.26 -4.57 120.51 117.41 1lpg n ALA 221 Ca -0.09 0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 1lpg n ALA 221 Cb 0.50 -1.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 1lpg n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1lpg s ARG 222 N -4.44 4.45 0.25 0.00 0.52 -1.26 -4.71 118.95 113.75 1lpg s ARG 222 Ca 0.00 1.89 -0.31 0.00 -0.52 0.00 0.00 55.73 56.79 1lpg s ARG 222 Cb 0.00 -3.26 -0.12 0.00 0.52 0.00 0.00 34.95 32.09 1lpg s ARG 222 CO 0.00 -0.19 1.65 1.63 0.02 0.00 0.00 175.30 178.42 1lpg n LYS 223 N 3.02 2.71 -0.70 3.54 5.02 -1.26 -1.45 118.16 129.05 1lpg n LYS 223 Ca 0.06 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 1lpg n LYS 223 Cb 0.45 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1lpg n LYS 223 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lpg n GLY 223 N 3.03 1.13 3.35 0.72 0.00 0.19 -4.99 105.19 108.62 1lpg n GLY 223 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1lpg n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lpg s LYS 224 N -0.19 1.35 0.48 1.61 -0.14 -0.53 -4.75 119.74 117.57 1lpg s LYS 224 Ca 0.00 -1.26 0.03 0.00 -1.36 0.00 0.00 55.97 53.39 1lpg s LYS 224 Cb 0.00 -1.73 -0.03 0.00 -1.68 0.00 0.00 37.83 34.39 1lpg s LYS 224 CO 0.00 0.41 0.05 0.71 -0.76 0.00 0.00 175.35 175.77 1lpg s TYR 225 N -1.06 2.05 -0.06 3.18 2.02 -1.26 -4.54 117.35 117.67 1lpg s TYR 225 Ca 0.11 -0.85 -0.19 0.00 -0.37 0.00 0.00 57.07 55.77 1lpg s TYR 225 Cb -0.10 -1.70 -0.05 0.00 -0.40 0.00 0.00 41.96 39.71 1lpg s TYR 225 CO 0.05 0.22 0.53 0.20 -1.57 0.00 0.00 175.55 174.98 1lpg s GLY 226 N -3.88 2.50 -0.22 0.71 0.00 0.61 -4.36 107.32 102.69 1lpg s GLY 226 Ca 0.17 -0.08 -0.10 0.00 0.00 0.00 0.00 44.72 44.71 1lpg s GLY 226 CO 0.09 0.74 0.14 -0.42 0.00 0.00 0.00 173.10 173.65 1lpg s ILE 227 N 0.17 5.37 0.09 0.90 -1.09 0.38 -0.93 121.20 126.09 1lpg s ILE 227 Ca 0.29 0.18 0.09 0.00 -2.23 0.00 0.00 60.65 58.98 1lpg s ILE 227 Cb -0.17 -3.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1lpg s ILE 227 CO 0.14 0.40 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.70 1lpg s TYR 228 N 0.67 2.02 0.26 3.97 1.51 -0.21 -1.46 117.35 124.11 1lpg s TYR 228 Ca 0.08 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 1lpg s TYR 228 Cb -0.12 -1.14 -0.09 0.00 -0.11 0.00 0.00 41.96 40.50 1lpg s TYR 228 CO 0.01 0.21 1.22 0.99 -1.11 0.00 0.00 175.55 176.87 1lpg s THR 229 N -1.01 3.20 -0.94 -0.71 2.01 -0.54 -1.44 115.64 116.21 1lpg s THR 229 Ca 0.10 1.12 -0.23 0.00 0.31 0.00 0.00 61.69 62.99 1lpg s THR 229 Cb -0.10 -3.71 0.06 0.00 0.01 0.00 0.00 72.50 68.76 1lpg s THR 229 CO 0.04 0.23 1.35 -0.75 -0.69 0.00 0.00 174.62 174.81 1lpg s LYS 230 N -1.07 3.50 0.27 4.92 2.20 0.74 -3.18 119.74 127.12 1lpg s LYS 230 Ca 0.50 -1.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.08 1lpg s LYS 230 Cb -0.35 -5.04 0.56 0.00 -1.51 0.00 0.00 37.83 31.49 1lpg s LYS 230 CO 0.43 -2.12 1.79 0.28 -0.36 0.00 0.00 175.35 175.38 1lpg h VAL 231 N 6.49 0.81 -0.10 4.02 2.07 -1.87 -1.63 116.25 126.04 1lpg h VAL 231 Ca 0.09 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1lpg h VAL 231 Cb 1.02 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1lpg h VAL 231 CO 1.35 0.14 0.13 0.71 0.02 0.00 0.00 177.57 179.93 1lpg h THR 232 N 0.79 0.41 0.00 2.57 1.35 -1.89 0.16 112.91 116.30 1lpg h THR 232 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.35 1lpg h THR 232 Cb 0.61 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1lpg h THR 232 CO -0.32 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 174.95 1lpg n ALA 233 N -2.28 2.23 -1.34 6.62 0.00 -0.61 -3.63 120.51 121.50 1lpg n ALA 233 Ca -0.00 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.43 1lpg n ALA 233 Cb 0.24 -1.44 0.12 0.00 0.00 0.00 0.00 19.45 18.37 1lpg n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1lpg n PHE 234 N -1.62 0.00 -0.03 0.00 3.72 0.56 -4.81 117.46 115.28 1lpg n PHE 234 Ca 0.06 -0.90 -0.11 0.00 -0.05 0.00 0.00 57.45 56.45 1lpg n PHE 234 Cb 0.33 -0.15 -0.06 0.00 -0.94 0.00 0.00 39.48 38.66 1lpg n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1lpg h LEU 235 N 0.18 0.17 -1.08 4.37 3.38 -1.59 0.89 115.31 121.64 1lpg h LEU 235 Ca -0.01 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1lpg h LEU 235 Cb 1.09 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1lpg h LEU 235 CO 0.00 0.31 0.59 0.11 0.09 0.00 0.00 178.44 179.54 1lpg h LYS 236 N 0.03 1.21 -0.21 1.13 1.57 -1.88 0.68 116.57 119.10 1lpg h LYS 236 Ca 0.04 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1lpg h LYS 236 Cb 0.19 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1lpg h LYS 236 CO -0.00 0.82 0.10 2.35 -0.57 0.00 0.00 179.45 182.14 1lpg h TRP 237 N 1.25 0.30 -0.25 -1.35 7.01 -1.81 -1.07 115.95 120.02 1lpg h TRP 237 Ca 0.33 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.34 1lpg h TRP 237 Cb -0.12 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 1lpg h TRP 237 CO 0.00 0.30 0.13 0.82 -2.79 0.00 0.00 178.44 176.90 1lpg h ILE 238 N 0.21 0.99 -0.13 2.65 2.04 -0.17 -0.95 117.51 122.14 1lpg h ILE 238 Ca 0.07 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1lpg h ILE 238 Cb 0.11 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 1lpg h ILE 238 CO -0.01 0.05 -0.16 0.44 0.00 0.00 0.00 178.15 178.47 1lpg h ASP 239 N 0.27 -0.51 0.02 1.72 3.32 -0.73 -0.86 116.42 119.65 1lpg h ASP 239 Ca 0.10 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.27 1lpg h ASP 239 Cb 0.03 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1lpg h ASP 239 CO -0.07 -0.21 -0.17 0.03 -1.72 0.00 0.00 179.24 177.10 1lpg h ARG 240 N -0.20 -0.27 -0.82 3.56 3.08 -0.95 -1.56 114.38 117.22 1lpg h ARG 240 Ca 0.10 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.30 1lpg h ARG 240 Cb 0.34 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 1lpg h ARG 240 CO -0.25 -0.18 0.53 0.77 -1.07 0.00 0.00 179.97 179.77 1lpg h SER 241 N -0.28 0.56 0.78 7.04 0.02 -0.67 -1.37 113.55 119.62 1lpg h SER 241 Ca 0.05 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.84 1lpg h SER 241 Cb 0.34 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1lpg h SER 241 CO -0.15 0.30 -0.88 0.24 -1.14 0.00 0.00 176.83 175.20 1lpg h MET 242 N 0.60 0.06 0.00 3.45 2.86 -0.61 -2.80 114.93 118.49 1lpg h MET 242 Ca 0.40 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1lpg h MET 242 Cb 0.70 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1lpg h MET 242 CO -0.16 0.90 0.00 -0.22 1.06 0.00 0.00 176.91 178.49 1lpg h LYS 243 N 0.03 0.00 0.00 1.72 1.63 -0.29 -3.52 116.57 116.14 1lpg h LYS 243 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1lpg h LYS 243 Cb 1.53 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 1lpg h LYS 243 CO 0.12 0.00 0.00 0.25 -3.45 0.00 0.00 179.45 176.37