#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lf8 n SER 8 N 0.00 -1.61 0.00 -1.84 3.41 -1.26 -4.76 113.62 107.57 1lf8 n SER 8 Ca 0.00 -0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.42 1lf8 n SER 8 Cb 0.00 -1.24 -0.07 0.00 -0.26 0.00 0.00 64.21 62.64 1lf8 n SER 8 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1lf8 h LEU 9 N -2.48 0.07 -1.08 1.04 3.38 -1.97 -1.94 115.31 112.33 1lf8 h LEU 9 Ca -0.58 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 1lf8 h LEU 9 Cb 1.33 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 1lf8 h LEU 9 CO 0.46 0.19 0.31 1.05 0.09 0.00 0.00 178.44 180.54 1lf8 h GLU 10 N -0.05 0.96 -0.22 1.13 9.09 -1.99 -1.66 114.58 121.84 1lf8 h GLU 10 Ca 0.02 -0.13 0.02 0.00 0.05 0.00 0.00 59.36 59.32 1lf8 h GLU 10 Cb 0.14 -0.18 -0.02 0.00 -1.65 0.00 0.00 28.75 27.04 1lf8 h GLU 10 CO -0.00 0.75 0.08 1.03 0.05 0.00 0.00 179.01 180.92 1lf8 h SER 11 N 0.96 0.11 -0.32 3.06 0.87 -1.84 0.35 113.55 116.73 1lf8 h SER 11 Ca 0.23 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1lf8 h SER 11 Cb 0.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1lf8 h SER 11 CO -0.03 0.09 0.15 -0.50 -0.53 0.00 0.00 176.83 176.02 1lf8 h TRP 12 N 0.19 0.46 -0.39 2.24 4.06 -0.98 -2.76 115.95 118.77 1lf8 h TRP 12 Ca 0.10 -0.02 -0.12 0.00 2.06 0.00 0.00 58.89 60.90 1lf8 h TRP 12 Cb 0.06 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.06 1lf8 h TRP 12 CO -0.11 0.41 -0.22 1.25 -3.56 0.00 0.00 178.44 176.20 1lf8 h LEU 13 N 0.38 0.88 -0.89 -4.49 5.85 -1.02 -0.53 115.31 115.49 1lf8 h LEU 13 Ca 0.11 -0.42 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1lf8 h LEU 13 Cb 0.12 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 1lf8 h LEU 13 CO -0.01 1.10 0.53 0.78 -0.34 0.00 0.00 178.44 180.51 1lf8 h ASN 14 N 0.65 0.79 0.72 1.25 2.35 -0.28 0.15 115.58 121.22 1lf8 h ASN 14 Ca 0.08 0.04 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 1lf8 h ASN 14 Cb 0.79 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 1lf8 h ASN 14 CO 0.06 0.45 -0.73 0.11 -1.65 0.00 0.00 177.43 175.68 1lf8 h LYS 15 N 0.90 0.00 0.00 0.81 1.57 -1.28 -1.45 116.57 117.12 1lf8 h LYS 15 Ca 0.42 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1lf8 h LYS 15 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1lf8 h LYS 15 CO -0.24 0.73 -0.10 0.00 -0.57 0.00 0.00 179.45 179.27 1lf8 n ALA 16 N -2.40 2.58 -0.41 3.86 0.00 -0.23 -3.81 120.51 120.10 1lf8 n ALA 16 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1lf8 n ALA 16 Cb 0.71 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1lf8 n ALA 16 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1lf8 n THR 17 N -1.53 0.47 -1.67 0.00 -2.24 0.35 -4.71 114.28 104.96 1lf8 n THR 17 Ca 0.07 -0.53 -0.51 0.00 -2.27 0.00 0.00 64.05 60.81 1lf8 n THR 17 Cb 0.34 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 1lf8 n THR 17 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1lf8 n ASN 18 N -0.24 2.75 0.23 3.42 2.85 -0.55 -4.36 115.26 119.36 1lf8 n ASN 18 Ca 0.00 1.05 0.16 0.00 -0.11 0.00 0.00 54.58 55.68 1lf8 n ASN 18 Cb 0.30 -1.29 0.84 0.00 1.24 0.00 0.00 39.78 40.88 1lf8 n ASN 18 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1lf8 h PRO 19 N 7.11 0.00 0.00 1.20 0.11 -1.89 -1.62 132.00 136.90 1lf8 h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1lf8 h PRO 19 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1lf8 h PRO 19 CO 0.91 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.47 1lf8 h SER 20 N 0.00 0.00 -1.97 -2.05 0.02 -1.98 -3.46 113.55 104.10 1lf8 h SER 20 Ca 0.06 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.37 1lf8 h SER 20 Cb 0.36 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.97 1lf8 h SER 20 CO -0.00 0.00 0.37 0.59 -1.14 0.00 0.00 176.83 176.65 1lf8 n ASN 21 N -2.98 1.62 0.18 3.07 3.02 -0.61 -4.83 115.26 114.73 1lf8 n ASN 21 Ca 0.04 1.13 0.07 0.00 -0.03 0.00 0.00 54.58 55.79 1lf8 n ASN 21 Cb 0.50 -1.24 0.14 0.00 -0.61 0.00 0.00 39.78 38.57 1lf8 n ASN 21 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1lf8 h ARG 22 N 3.83 0.00 -3.18 3.52 3.08 -1.90 -3.46 114.38 116.26 1lf8 h ARG 22 Ca -0.44 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 1lf8 h ARG 22 Cb 1.33 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.26 1lf8 h ARG 22 CO 0.73 0.28 0.09 1.14 -1.07 0.00 0.00 179.97 181.14 1lf8 s GLN 23 N -3.15 1.21 0.44 0.04 -2.07 -1.26 -5.14 119.66 109.73 1lf8 s GLN 23 Ca 0.05 -0.60 -0.25 0.00 -1.82 0.00 0.00 55.36 52.74 1lf8 s GLN 23 Cb 0.07 0.54 -0.09 0.00 -1.09 0.00 0.00 33.01 32.44 1lf8 s GLN 23 CO 0.70 -0.51 1.26 0.39 -1.32 0.00 0.00 175.29 175.81 1lf8 n GLU 24 N -0.32 1.87 -3.84 9.60 1.02 -1.26 -4.94 120.64 122.77 1lf8 n GLU 24 Ca -0.16 0.67 -0.33 0.00 -0.02 0.00 0.00 57.16 57.31 1lf8 n GLU 24 Cb 0.64 -2.38 -0.12 0.00 -0.02 0.00 0.00 31.44 29.56 1lf8 n GLU 24 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1lf8 s ASP 25 N -0.59 4.79 0.65 1.62 1.01 -1.26 -4.94 116.67 117.95 1lf8 s ASP 25 Ca 0.62 -2.92 0.44 0.00 0.71 0.00 0.00 52.55 51.40 1lf8 s ASP 25 Cb -0.50 -1.75 2.39 0.00 1.01 0.00 0.00 42.92 44.07 1lf8 s ASP 25 CO 0.57 -0.30 2.34 -0.50 0.21 0.00 0.00 175.17 177.49 1lf8 h TRP 26 N 6.78 0.00 -0.05 4.23 4.06 -1.97 -2.11 115.95 126.89 1lf8 h TRP 26 Ca -0.05 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 1lf8 h TRP 26 Cb 0.92 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.08 1lf8 h TRP 26 CO 0.61 0.00 0.03 1.49 -3.56 0.00 0.00 178.44 177.01 1lf8 h GLU 27 N 0.00 0.06 -0.18 0.49 4.81 -1.99 -0.85 114.58 116.92 1lf8 h GLU 27 Ca 0.00 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.01 1lf8 h GLU 27 Cb 0.00 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.37 1lf8 h GLU 27 CO 0.00 0.07 -0.71 1.88 -0.73 0.00 0.00 179.01 179.52 1lf8 h TYR 28 N 0.04 1.04 -0.45 0.92 0.05 -1.75 -0.77 116.97 116.05 1lf8 h TYR 28 Ca 0.02 -0.43 0.07 0.00 0.05 0.00 0.00 58.73 58.44 1lf8 h TYR 28 Cb 0.02 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 37.53 1lf8 h TYR 28 CO -0.07 1.26 0.08 0.82 -1.05 0.00 0.00 178.16 179.21 1lf8 h ILE 29 N 0.56 0.75 -0.39 -2.88 2.04 -1.28 0.29 117.51 116.59 1lf8 h ILE 29 Ca -0.03 -0.07 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 1lf8 h ILE 29 Cb 1.33 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1lf8 h ILE 29 CO 0.15 0.04 -0.35 0.40 0.00 0.00 0.00 178.15 178.39 1lf8 h ILE 30 N 0.21 1.27 -0.96 -0.67 1.08 -1.14 -2.77 117.51 114.54 1lf8 h ILE 30 Ca 0.22 -1.52 0.08 0.00 -0.39 0.00 0.00 64.86 63.25 1lf8 h ILE 30 Cb 0.29 1.34 -0.07 0.00 -3.07 0.00 0.00 36.82 35.31 1lf8 h ILE 30 CO -0.30 0.51 0.62 1.23 -0.69 0.00 0.00 178.15 179.52 1lf8 h GLY 31 N 0.84 1.45 0.92 5.37 0.00 0.15 -0.68 103.07 111.11 1lf8 h GLY 31 Ca 0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1lf8 h GLY 31 CO 0.09 0.27 0.11 -2.75 0.00 0.00 0.00 176.54 174.26 1lf8 h PHE 32 N 1.05 0.52 -0.06 5.60 3.57 -0.29 -1.98 116.94 125.36 1lf8 h PHE 32 Ca 0.43 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 1lf8 h PHE 32 Cb 0.28 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1lf8 h PHE 32 CO -0.00 0.51 0.03 0.00 -2.23 0.00 0.00 178.31 176.62 1lf8 h ASP 34 N 0.02 1.03 -0.40 0.00 3.32 -1.13 -2.05 116.42 117.21 1lf8 h ASP 34 Ca 0.02 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1lf8 h ASP 34 Cb 0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1lf8 h ASP 34 CO -0.00 0.68 0.25 -0.61 -1.72 0.00 0.00 179.24 177.84 1lf8 h GLN 35 N 1.18 0.53 -0.61 3.56 5.75 -1.10 -2.50 115.11 121.92 1lf8 h GLN 35 Ca 0.40 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.88 1lf8 h GLN 35 Cb 0.07 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.47 1lf8 h GLN 35 CO -0.14 0.38 0.38 0.82 -2.65 0.00 0.00 178.83 177.62 1lf8 h ILE 36 N 0.53 1.09 0.00 2.39 2.04 -0.87 0.12 117.51 122.80 1lf8 h ILE 36 Ca 0.14 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1lf8 h ILE 36 Cb -0.03 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1lf8 h ILE 36 CO -0.03 0.14 0.00 0.78 0.00 0.00 0.00 178.15 179.04 1lf8 h ASN 37 N 0.76 0.00 0.09 1.72 2.35 -0.97 -2.51 115.58 117.01 1lf8 h ASN 37 Ca 0.24 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.62 1lf8 h ASN 37 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1lf8 h ASN 37 CO -0.09 0.00 -2.20 0.29 -1.65 0.00 0.00 177.43 173.78 1lf8 n LYS 38 N -2.64 0.71 -2.06 0.81 4.76 -0.43 -4.96 118.16 114.35 1lf8 n LYS 38 Ca -0.01 0.21 -0.42 0.00 -2.87 0.00 0.00 58.31 55.22 1lf8 n LYS 38 Cb 0.11 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.65 1lf8 n LYS 38 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1lf8 s GLU 39 N -2.54 4.29 0.26 1.97 0.41 -0.10 -4.93 118.70 118.05 1lf8 s GLU 39 Ca -0.26 2.23 -0.04 0.00 -0.41 0.00 0.00 54.97 56.48 1lf8 s GLU 39 Cb 0.08 -3.16 0.32 0.00 -1.78 0.00 0.00 34.13 29.58 1lf8 s GLU 39 CO 0.70 -0.43 1.89 1.25 -0.49 0.00 0.00 175.26 178.18 1lf8 h LEU 40 N 5.83 1.02 -3.19 1.80 5.85 -1.92 -2.78 115.31 121.94 1lf8 h LEU 40 Ca -0.44 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.16 1lf8 h LEU 40 Cb 1.21 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1lf8 h LEU 40 CO 0.82 0.81 -0.06 -0.62 -0.34 0.00 0.00 178.44 179.05 1lf8 n GLU 41 N -4.35 2.10 -0.21 1.25 1.02 -1.26 -4.77 120.64 114.41 1lf8 n GLU 41 Ca 0.09 -2.89 0.01 0.00 -0.02 0.00 0.00 57.16 54.34 1lf8 n GLU 41 Cb 0.09 -1.72 0.12 0.00 -0.02 0.00 0.00 31.44 29.90 1lf8 n GLU 41 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1lf8 h GLY 42 N 1.04 0.87 0.85 0.62 0.00 -1.69 -1.93 103.07 102.84 1lf8 h GLY 42 Ca 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1lf8 h GLY 42 CO 0.18 -0.04 -0.09 -2.55 0.00 0.00 0.00 176.54 174.05 1lf8 h PRO 43 N 0.40 -0.17 -0.28 4.80 0.11 -1.83 0.27 132.00 135.30 1lf8 h PRO 43 Ca 0.32 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.44 1lf8 h PRO 43 Cb 0.41 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1lf8 h PRO 43 CO -0.33 -0.11 0.17 1.96 -0.21 0.00 0.00 178.00 179.48 1lf8 h GLN 44 N -0.18 0.37 -0.23 1.05 7.50 -1.86 -1.77 115.11 119.99 1lf8 h GLN 44 Ca 0.01 -0.03 -0.03 0.00 0.50 0.00 0.00 58.65 59.10 1lf8 h GLN 44 Cb 0.19 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 1lf8 h GLN 44 CO -0.05 0.29 0.02 0.82 -1.50 0.00 0.00 178.83 178.42 1lf8 h ILE 45 N 0.35 1.24 -0.19 2.54 2.04 -1.30 -3.18 117.51 119.02 1lf8 h ILE 45 Ca 0.10 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.19 1lf8 h ILE 45 Cb 0.02 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1lf8 h ILE 45 CO -0.02 0.26 -0.15 0.00 0.00 0.00 0.00 178.15 178.24 1lf8 h ALA 46 N 0.83 -0.02 -0.29 1.87 0.00 -0.28 -1.14 119.26 120.22 1lf8 h ALA 46 Ca 0.07 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1lf8 h ALA 46 Cb 0.36 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1lf8 h ALA 46 CO 0.01 -0.59 0.11 -0.39 0.00 0.00 0.00 179.25 178.39 1lf8 h VAL 47 N -0.16 0.93 -0.88 0.00 -1.51 -1.37 0.97 116.25 114.23 1lf8 h VAL 47 Ca 0.11 -0.08 0.01 0.00 -1.23 0.00 0.00 66.70 65.51 1lf8 h VAL 47 Cb 0.33 0.67 -0.05 0.00 -2.13 0.00 0.00 31.29 30.11 1lf8 h VAL 47 CO -0.28 0.04 0.58 0.03 -1.23 0.00 0.00 177.57 176.71 1lf8 h ARG 48 N 0.24 1.15 -0.16 5.19 3.08 -1.48 0.37 114.38 122.77 1lf8 h ARG 48 Ca 0.13 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1lf8 h ARG 48 Cb 0.09 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1lf8 h ARG 48 CO -0.13 0.76 0.05 -0.07 -1.07 0.00 0.00 179.97 179.51 1lf8 h LEU 49 N 1.18 0.24 -0.45 3.04 3.38 -0.77 -2.87 115.31 119.06 1lf8 h LEU 49 Ca 0.33 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1lf8 h LEU 49 Cb -0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1lf8 h LEU 49 CO -0.08 0.39 0.18 -0.07 0.09 0.00 0.00 178.44 178.95 1lf8 h LEU 50 N 0.08 0.62 -0.43 1.67 3.38 -0.34 -2.61 115.31 117.68 1lf8 h LEU 50 Ca 0.05 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1lf8 h LEU 50 Cb 0.24 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 1lf8 h LEU 50 CO -0.00 0.62 -0.21 0.00 0.09 0.00 0.00 178.44 178.93 1lf8 h ALA 51 N 1.03 0.09 0.01 1.53 0.00 -0.22 -0.57 119.26 121.13 1lf8 h ALA 51 Ca 0.15 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1lf8 h ALA 51 Cb 0.19 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1lf8 h ALA 51 CO -0.01 -0.57 -0.14 1.25 0.00 0.00 0.00 179.25 179.77 1lf8 h HIS 52 N -0.13 -0.37 -0.62 0.00 -0.00 -1.37 -2.17 115.15 110.50 1lf8 h HIS 52 Ca 0.21 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.62 1lf8 h HIS 52 Cb 0.45 0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.99 1lf8 h HIS 52 CO -0.46 -0.21 0.41 0.87 -0.00 0.00 0.00 177.93 178.53 1lf8 h LYS 53 N -0.25 0.71 0.00 5.26 1.79 -1.05 -1.69 116.57 121.35 1lf8 h LYS 53 Ca 0.04 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1lf8 h LYS 53 Cb 0.30 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1lf8 h LYS 53 CO -0.13 0.47 -0.44 0.82 -1.08 0.00 0.00 179.45 179.09 1lf8 h ILE 54 N 0.73 1.19 -0.33 1.86 2.04 -0.67 -2.75 117.51 119.58 1lf8 h ILE 54 Ca 0.25 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1lf8 h ILE 54 Cb 0.09 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1lf8 h ILE 54 CO -0.07 0.43 0.00 0.00 0.00 0.00 0.00 178.15 178.51 1lf8 n GLN 55 N -3.85 2.93 -2.75 2.37 6.02 -0.64 -4.77 117.38 116.69 1lf8 n GLN 55 Ca -0.01 -1.67 -0.41 0.00 -0.01 0.00 0.00 57.00 54.90 1lf8 n GLN 55 Cb 0.49 -1.82 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 1lf8 n GLN 55 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1lf8 s SER 56 N -0.52 7.47 0.59 1.08 0.15 -1.04 -4.94 113.70 116.49 1lf8 s SER 56 Ca 0.29 1.76 0.30 0.00 0.70 0.00 0.00 55.95 59.00 1lf8 s SER 56 Cb 0.21 -2.58 1.81 0.00 -1.71 0.00 0.00 66.02 63.76 1lf8 s SER 56 CO 0.10 -0.07 2.24 -0.65 1.20 0.00 0.00 173.24 176.07 1lf8 h PRO 57 N 5.63 0.00 -6.68 5.44 0.11 -1.91 -3.39 132.00 131.20 1lf8 h PRO 57 Ca -0.43 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.12 1lf8 h PRO 57 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1lf8 h PRO 57 CO 0.72 0.00 0.96 -0.65 -0.21 0.00 0.00 178.00 178.82 1lf8 s GLN 58 N -4.63 3.69 0.24 1.05 -0.21 -1.26 -4.92 119.66 113.62 1lf8 s GLN 58 Ca -0.05 0.62 -0.05 0.00 0.02 0.00 0.00 55.36 55.90 1lf8 s GLN 58 Cb 0.15 -3.93 0.35 0.00 1.00 0.00 0.00 33.01 30.58 1lf8 s GLN 58 CO 0.55 -1.43 1.84 1.49 -2.12 0.00 0.00 175.29 175.61 1lf8 h GLU 59 N 9.52 0.87 -0.17 2.91 4.81 -1.99 -2.09 114.58 128.44 1lf8 h GLU 59 Ca -0.24 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.87 1lf8 h GLU 59 Cb 1.07 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1lf8 h GLU 59 CO 1.12 0.58 -0.21 2.35 -0.73 0.00 0.00 179.01 182.12 1lf8 h TRP 60 N 0.90 0.33 -0.27 0.92 -0.00 -1.92 0.14 115.95 116.05 1lf8 h TRP 60 Ca 0.38 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.89 59.09 1lf8 h TRP 60 Cb 0.24 -0.09 -0.00 0.00 -0.00 0.00 0.00 29.16 29.31 1lf8 h TRP 60 CO -0.04 0.50 -0.31 1.49 -0.00 0.00 0.00 178.44 180.07 1lf8 h GLU 61 N 0.28 0.68 -0.48 2.65 4.81 -1.61 -1.87 114.58 119.04 1lf8 h GLU 61 Ca 0.05 -0.38 -0.13 0.00 -0.13 0.00 0.00 59.36 58.77 1lf8 h GLU 61 Cb 0.53 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1lf8 h GLU 61 CO 0.04 0.99 -0.21 0.00 -0.73 0.00 0.00 179.01 179.10 1lf8 h ALA 62 N 0.68 0.67 -0.01 2.92 0.00 -1.04 -1.30 119.26 121.19 1lf8 h ALA 62 Ca 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1lf8 h ALA 62 Cb 0.89 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1lf8 h ALA 62 CO 0.08 0.66 0.00 1.25 0.00 0.00 0.00 179.25 181.24 1lf8 h LEU 63 N 0.85 0.01 -0.83 0.00 5.85 -0.71 -1.47 115.31 119.01 1lf8 h LEU 63 Ca 0.11 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1lf8 h LEU 63 Cb 0.79 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1lf8 h LEU 63 CO 0.07 0.14 0.54 1.56 -0.34 0.00 0.00 178.44 180.40 1lf8 h GLN 64 N -0.12 1.11 -0.66 1.25 4.20 -1.32 -1.37 115.11 118.19 1lf8 h GLN 64 Ca 0.00 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.65 1lf8 h GLN 64 Cb 0.13 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1lf8 h GLN 64 CO -0.00 0.75 0.44 0.00 -0.67 0.00 0.00 178.83 179.34 1lf8 h ALA 65 N 1.29 1.56 -0.39 3.87 0.00 -0.95 0.22 119.26 124.87 1lf8 h ALA 65 Ca 0.30 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 1lf8 h ALA 65 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1lf8 h ALA 65 CO -0.06 0.39 -0.37 -0.07 0.00 0.00 0.00 179.25 179.14 1lf8 h LEU 66 N 0.86 0.99 -1.02 0.00 3.38 -0.37 0.08 115.31 119.22 1lf8 h LEU 66 Ca 0.25 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1lf8 h LEU 66 Cb -0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1lf8 h LEU 66 CO -0.06 1.24 -0.07 0.74 0.09 0.00 0.00 178.44 180.38 1lf8 h THR 67 N 0.76 1.23 -0.19 0.22 2.02 -0.48 0.07 112.91 116.55 1lf8 h THR 67 Ca 0.07 -1.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.09 1lf8 h THR 67 Cb 0.96 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1lf8 h THR 67 CO 0.09 0.34 -0.53 0.58 0.37 0.00 0.00 175.52 176.37 1lf8 h VAL 68 N 0.58 1.32 -0.58 3.16 2.07 -0.77 -1.74 116.25 120.29 1lf8 h VAL 68 Ca 0.11 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 1lf8 h VAL 68 Cb 0.47 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1lf8 h VAL 68 CO 0.02 0.55 0.20 0.25 0.02 0.00 0.00 177.57 178.62 1lf8 h LEU 69 N 0.42 0.83 -0.62 2.57 5.85 -0.30 -0.90 115.31 123.15 1lf8 h LEU 69 Ca 0.01 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1lf8 h LEU 69 Cb 1.06 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1lf8 h LEU 69 CO 0.10 0.80 0.34 -0.08 -0.34 0.00 0.00 178.44 179.25 1lf8 h GLU 70 N 0.81 0.87 -0.64 1.25 4.81 -0.82 -2.31 114.58 118.55 1lf8 h GLU 70 Ca 0.19 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1lf8 h GLU 70 Cb 0.25 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1lf8 h GLU 70 CO -0.01 0.66 0.35 0.00 -0.73 0.00 0.00 179.01 179.27 1lf8 h ALA 71 N 1.16 0.82 -0.98 2.92 0.00 -0.96 -2.73 119.26 119.49 1lf8 h ALA 71 Ca 0.22 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1lf8 h ALA 71 Cb 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1lf8 h ALA 71 CO -0.03 0.34 0.64 0.00 0.00 0.00 0.00 179.25 180.19 1lf8 h MET 73 N 1.27 0.21 0.00 0.00 2.07 -1.12 0.55 114.93 117.91 1lf8 h MET 73 Ca 0.38 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.97 1lf8 h MET 73 Cb -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.64 1lf8 h MET 73 CO -0.10 0.32 -0.82 1.63 1.07 0.00 0.00 176.91 179.01 1lf8 n LYS 74 N -4.32 0.34 -0.01 1.72 5.02 -0.73 -4.47 118.16 115.71 1lf8 n LYS 74 Ca -0.01 0.06 0.01 0.00 -2.02 0.00 0.00 58.31 56.35 1lf8 n LYS 74 Cb 0.23 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 1lf8 n LYS 74 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1lf8 n ASN 75 N -2.15 3.75 -1.78 4.39 3.02 -0.15 -4.75 115.26 117.60 1lf8 n ASN 75 Ca 0.02 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.65 1lf8 n ASN 75 Cb 0.46 1.03 0.39 0.00 -0.61 0.00 0.00 39.78 41.04 1lf8 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lf8 n GLY 77 N 0.80 0.20 0.33 0.00 0.00 -1.26 -3.17 105.19 102.09 1lf8 n GLY 77 Ca 0.27 -0.57 0.16 0.00 0.00 0.00 0.00 46.02 45.89 1lf8 n GLY 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1lf8 h ARG 78 N 0.00 0.47 0.00 1.61 2.43 -1.97 -0.91 114.38 116.01 1lf8 h ARG 78 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1lf8 h ARG 78 Cb 0.00 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1lf8 h ARG 78 CO 0.00 0.31 -0.06 0.07 -1.51 0.00 0.00 179.97 178.79 1lf8 h ARG 79 N 0.49 0.00 0.03 0.20 0.11 -2.02 -1.75 114.38 111.44 1lf8 h ARG 79 Ca 0.62 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.54 1lf8 h ARG 79 Cb 1.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 1lf8 h ARG 79 CO -0.51 0.06 -0.84 0.35 0.10 0.00 0.00 179.97 179.13 1lf8 h PHE 80 N 0.00 0.10 -1.00 4.08 3.57 -1.13 -3.34 116.94 119.23 1lf8 h PHE 80 Ca -0.00 -0.08 0.22 0.00 3.53 0.00 0.00 57.97 61.64 1lf8 h PHE 80 Cb 0.32 -0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.95 1lf8 h PHE 80 CO 0.00 1.33 0.62 0.45 -2.23 0.00 0.00 178.31 178.48 1lf8 h HIS 81 N -0.84 0.91 -0.68 0.41 3.86 -1.15 0.16 115.15 117.82 1lf8 h HIS 81 Ca -0.21 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 1lf8 h HIS 81 Cb 1.30 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 29.47 1lf8 h HIS 81 CO 0.17 0.16 0.33 -0.91 0.86 0.00 0.00 177.93 178.54 1lf8 h ASN 82 N 0.62 0.88 -0.23 2.45 2.35 -1.46 0.52 115.58 120.71 1lf8 h ASN 82 Ca 0.58 -0.09 -0.17 0.00 -0.55 0.00 0.00 56.30 56.06 1lf8 h ASN 82 Cb 1.11 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1lf8 h ASN 82 CO -0.36 0.75 -0.54 -0.33 -1.65 0.00 0.00 177.43 175.30 1lf8 h GLU 83 N 0.97 0.76 0.00 0.81 4.39 -0.83 -2.98 114.58 117.70 1lf8 h GLU 83 Ca 0.24 -0.52 -0.04 0.00 0.34 0.00 0.00 59.36 59.38 1lf8 h GLU 83 Cb 0.10 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1lf8 h GLU 83 CO -0.03 1.14 -0.18 0.28 -1.16 0.00 0.00 179.01 179.06 1lf8 h VAL 84 N 0.50 0.49 -0.02 3.13 2.07 -1.12 -2.90 116.25 118.40 1lf8 h VAL 84 Ca -0.00 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1lf8 h VAL 84 Cb 1.15 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1lf8 h VAL 84 CO 0.12 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.50 1lf8 n GLY 85 N 0.02 -0.88 3.80 2.17 0.00 0.15 -4.39 105.19 106.08 1lf8 n GLY 85 Ca -0.00 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1lf8 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lf8 s LYS 86 N -1.98 3.14 0.51 1.61 1.02 -1.10 -4.40 119.74 118.54 1lf8 s LYS 86 Ca 0.25 -0.44 0.19 0.00 0.02 0.00 0.00 55.97 55.99 1lf8 s LYS 86 Cb 0.12 -2.91 1.26 0.00 -0.52 0.00 0.00 37.83 35.78 1lf8 s LYS 86 CO 0.19 0.66 2.06 0.74 -0.92 0.00 0.00 175.35 178.08 1lf8 h PHE 87 N 4.13 0.09 -0.91 3.18 0.04 -1.89 -0.40 116.94 121.19 1lf8 h PHE 87 Ca -0.49 0.00 0.23 0.00 2.80 0.00 0.00 57.97 60.51 1lf8 h PHE 87 Cb 1.19 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 39.25 1lf8 h PHE 87 CO 0.65 0.05 0.62 -0.09 -0.60 0.00 0.00 178.31 178.94 1lf8 h ARG 88 N 0.09 0.20 0.01 1.51 2.43 -1.94 0.41 114.38 117.10 1lf8 h ARG 88 Ca 0.15 -0.01 -0.40 0.00 -0.81 0.00 0.00 59.98 58.90 1lf8 h ARG 88 Cb 0.47 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 1lf8 h ARG 88 CO -0.01 0.14 -2.44 0.34 -1.51 0.00 0.00 179.97 176.48 1lf8 n PHE 89 N -4.41 0.10 -0.27 2.20 7.35 -0.39 -4.43 117.46 117.61 1lf8 n PHE 89 Ca 0.19 0.03 0.08 0.00 -0.76 0.00 0.00 57.45 56.99 1lf8 n PHE 89 Cb 0.84 -1.01 0.32 0.00 0.35 0.00 0.00 39.48 39.97 1lf8 n PHE 89 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1lf8 h LEU 90 N -0.21 0.76 -1.25 -2.13 3.38 -0.49 -1.02 115.31 114.35 1lf8 h LEU 90 Ca -0.59 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 1lf8 h LEU 90 Cb 1.84 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 1lf8 h LEU 90 CO -0.15 0.44 0.07 0.78 0.09 0.00 0.00 178.44 179.68 1lf8 h ASN 91 N 0.84 0.54 -0.30 -0.43 2.35 -0.42 -1.74 115.58 116.42 1lf8 h ASN 91 Ca 0.41 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 1lf8 h ASN 91 Cb 0.46 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1lf8 h ASN 91 CO -0.18 0.56 0.15 -0.33 -1.65 0.00 0.00 177.43 175.99 1lf8 h GLU 92 N 0.57 0.48 0.10 0.81 4.39 -1.39 -0.86 114.58 118.68 1lf8 h GLU 92 Ca 0.13 -0.05 -0.27 0.00 0.34 0.00 0.00 59.36 59.50 1lf8 h GLU 92 Cb 0.25 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1lf8 h GLU 92 CO 0.00 0.40 -1.18 -0.07 -1.16 0.00 0.00 179.01 177.00 1lf8 h LEU 93 N 0.49 0.63 -0.10 1.33 3.38 -1.29 -3.19 115.31 116.56 1lf8 h LEU 93 Ca 0.12 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.51 1lf8 h LEU 93 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1lf8 h LEU 93 CO -0.01 1.42 0.03 0.40 0.09 0.00 0.00 178.44 180.37 1lf8 h ILE 94 N 0.19 0.98 -0.66 1.22 2.04 -0.79 -1.85 117.51 118.63 1lf8 h ILE 94 Ca -0.14 -0.03 0.19 0.00 1.00 0.00 0.00 64.86 65.87 1lf8 h ILE 94 Cb 1.86 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 1lf8 h ILE 94 CO 0.21 0.01 0.47 0.11 0.00 0.00 0.00 178.15 178.96 1lf8 h LYS 95 N 0.08 0.03 -0.11 2.37 1.57 -1.23 0.33 116.57 119.62 1lf8 h LYS 95 Ca 0.04 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1lf8 h LYS 95 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1lf8 h LYS 95 CO -0.04 0.02 -0.45 0.28 -0.57 0.00 0.00 179.45 178.69 1lf8 h VAL 96 N 0.03 1.32 -0.01 0.50 2.07 -1.32 -0.10 116.25 118.75 1lf8 h VAL 96 Ca 0.31 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1lf8 h VAL 96 Cb 1.22 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1lf8 h VAL 96 CO -0.01 0.48 -0.42 1.33 0.02 0.00 0.00 177.57 178.97 1lf8 n VAL 97 N -4.00 0.00 -3.42 2.57 0.24 -0.13 -3.15 118.33 110.45 1lf8 n VAL 97 Ca -0.02 -0.29 -0.38 0.00 -2.04 0.00 0.00 64.34 61.61 1lf8 n VAL 97 Cb 0.51 1.15 -0.08 0.00 -1.47 0.00 0.00 33.84 33.94 1lf8 n VAL 97 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1lf8 s SER 98 N -2.02 6.31 0.56 -1.34 0.01 -0.08 -4.67 113.70 112.46 1lf8 s SER 98 Ca 0.12 0.36 0.29 0.00 1.31 0.00 0.00 55.95 58.03 1lf8 s SER 98 Cb 0.13 -2.21 1.46 0.00 0.21 0.00 0.00 66.02 65.61 1lf8 s SER 98 CO 0.46 -0.11 1.90 -0.65 0.41 0.00 0.00 173.24 175.24 1lf8 h PRO 99 N 7.78 0.00 0.00 12.44 0.11 -1.88 0.35 132.00 150.80 1lf8 h PRO 99 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1lf8 h PRO 99 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1lf8 h PRO 99 CO 0.67 0.00 0.00 1.17 -0.21 0.00 0.00 178.00 179.63 1lf8 n LYS 100 N -3.99 0.13 0.00 1.05 4.81 -1.26 -4.38 118.16 114.52 1lf8 n LYS 100 Ca 0.12 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1lf8 n LYS 100 Cb 0.78 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 34.02 1lf8 n LYS 100 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1lf8 n TYR 101 N -2.07 0.00 0.07 5.64 4.02 0.12 -5.00 117.16 119.94 1lf8 n TYR 101 Ca 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.88 1lf8 n TYR 101 Cb 0.15 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.41 1lf8 n TYR 101 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1lf8 h LEU 102 N 0.00 0.00 -0.28 7.72 3.38 -0.99 -3.41 115.31 121.72 1lf8 h LEU 102 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1lf8 h LEU 102 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1lf8 h LEU 102 CO 0.00 0.73 -0.16 0.61 0.09 0.00 0.00 178.44 179.71 1lf8 n GLY 103 N 1.35 -0.72 0.05 0.83 0.00 -0.75 0.57 105.19 106.52 1lf8 n GLY 103 Ca -0.04 0.34 0.07 0.00 0.00 0.00 0.00 46.02 46.38 1lf8 n GLY 103 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lf8 n ASP 104 N -4.36 0.23 -0.58 1.61 8.00 -1.26 -2.17 116.55 118.02 1lf8 n ASP 104 Ca 0.01 0.57 0.06 0.00 0.71 0.00 0.00 54.79 56.14 1lf8 n ASP 104 Cb 0.08 -0.62 0.12 0.00 -0.02 0.00 0.00 41.12 40.68 1lf8 n ASP 104 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1lf8 n ARG 105 N -1.77 2.12 -4.72 -1.24 3.00 0.19 -4.99 116.66 109.26 1lf8 n ARG 105 Ca 0.02 -1.76 -0.32 0.00 -0.01 0.00 0.00 57.85 55.77 1lf8 n ARG 105 Cb 0.12 -1.25 -0.12 0.00 0.00 0.00 0.00 32.46 31.21 1lf8 n ARG 105 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1lf8 s VAL 106 N -0.98 3.16 0.79 1.55 1.01 -0.92 -5.01 120.40 120.00 1lf8 s VAL 106 Ca 0.20 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1lf8 s VAL 106 Cb 0.11 -2.30 0.07 0.00 0.00 0.00 0.00 36.38 34.26 1lf8 s VAL 106 CO 0.15 0.48 1.09 -0.94 0.00 0.00 0.00 175.10 175.88 1lf8 s SER 107 N -1.09 4.35 0.11 3.32 1.04 -1.26 -4.88 113.70 115.28 1lf8 s SER 107 Ca 0.14 1.81 -0.17 0.00 0.48 0.00 0.00 55.95 58.21 1lf8 s SER 107 Cb -0.11 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 1lf8 s SER 107 CO 0.04 -2.13 1.60 -0.33 0.98 0.00 0.00 173.24 173.39 1lf8 h GLU 108 N -1.20 0.54 -0.63 4.02 4.39 -1.98 -2.10 114.58 117.61 1lf8 h GLU 108 Ca -0.44 -0.14 0.13 0.00 0.34 0.00 0.00 59.36 59.26 1lf8 h GLU 108 Cb 1.24 -0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.71 1lf8 h GLU 108 CO 0.51 0.61 -0.01 -0.22 -1.16 0.00 0.00 179.01 178.74 1lf8 h LYS 109 N 0.38 0.11 -0.14 2.33 3.64 -1.99 0.49 116.57 121.39 1lf8 h LYS 109 Ca 0.10 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1lf8 h LYS 109 Cb 0.32 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1lf8 h LYS 109 CO 0.00 0.07 0.04 0.28 -2.27 0.00 0.00 179.45 177.58 1lf8 h VAL 110 N 0.11 1.18 -0.07 2.00 2.07 -1.91 -2.10 116.25 117.53 1lf8 h VAL 110 Ca 0.33 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1lf8 h VAL 110 Cb 0.54 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1lf8 h VAL 110 CO -0.55 0.17 0.04 0.11 0.02 0.00 0.00 177.57 177.35 1lf8 h LYS 111 N 0.04 0.08 -0.40 1.57 1.57 -0.44 -1.89 116.57 117.09 1lf8 h LYS 111 Ca 0.04 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1lf8 h LYS 111 Cb 0.22 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1lf8 h LYS 111 CO -0.00 0.05 0.11 1.79 -0.57 0.00 0.00 179.45 180.83 1lf8 h THR 112 N 0.08 1.17 -0.55 -0.16 1.35 -0.10 -0.89 112.91 113.82 1lf8 h THR 112 Ca 0.03 -0.60 -0.03 0.00 -0.55 0.00 0.00 66.41 65.26 1lf8 h THR 112 Cb -0.00 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 67.14 1lf8 h THR 112 CO -0.02 0.22 0.23 0.50 -0.25 0.00 0.00 175.52 176.20 1lf8 h LYS 113 N 0.57 0.81 -0.29 4.72 1.63 -1.04 0.23 116.57 123.20 1lf8 h LYS 113 Ca 0.14 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1lf8 h LYS 113 Cb 0.19 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1lf8 h LYS 113 CO -0.01 0.70 0.18 0.28 -3.45 0.00 0.00 179.45 177.16 1lf8 h VAL 114 N 0.75 1.09 -0.70 2.00 2.07 -0.60 -0.48 116.25 120.38 1lf8 h VAL 114 Ca 0.18 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1lf8 h VAL 114 Cb 0.18 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1lf8 h VAL 114 CO -0.02 0.09 0.38 0.40 0.02 0.00 0.00 177.57 178.45 1lf8 h ILE 115 N 0.38 1.22 -0.06 4.57 1.08 -0.84 0.07 117.51 123.93 1lf8 h ILE 115 Ca 0.11 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 1lf8 h ILE 115 Cb -0.01 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 34.03 1lf8 h ILE 115 CO -0.02 0.24 0.03 -0.08 -0.69 0.00 0.00 178.15 177.62 1lf8 h GLU 116 N 0.96 0.06 -0.18 2.37 4.81 -0.21 0.17 114.58 122.56 1lf8 h GLU 116 Ca 0.25 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1lf8 h GLU 116 Cb 0.04 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1lf8 h GLU 116 CO -0.04 0.04 0.10 -0.07 -0.73 0.00 0.00 179.01 178.31 1lf8 h LEU 117 N 0.06 0.21 -0.13 1.64 3.38 -0.78 0.94 115.31 120.64 1lf8 h LEU 117 Ca 0.02 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1lf8 h LEU 117 Cb 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1lf8 h LEU 117 CO -0.02 0.21 -0.03 -0.07 0.09 0.00 0.00 178.44 178.63 1lf8 h LEU 118 N 0.20 -0.11 -0.62 1.67 3.38 -0.80 0.55 115.31 119.58 1lf8 h LEU 118 Ca 0.06 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1lf8 h LEU 118 Cb 0.04 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1lf8 h LEU 118 CO -0.01 -0.04 0.37 0.22 0.09 0.00 0.00 178.44 179.07 1lf8 h TYR 119 N 0.01 0.68 -0.88 1.13 3.20 -0.44 -2.19 116.97 118.47 1lf8 h TYR 119 Ca 0.06 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1lf8 h TYR 119 Cb 0.09 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.09 1lf8 h TYR 119 CO -0.16 0.37 0.56 0.77 -1.64 0.00 0.00 178.16 178.05 1lf8 h SER 120 N 0.70 0.91 0.29 -2.11 0.02 -0.02 -2.67 113.55 110.67 1lf8 h SER 120 Ca 0.26 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.13 1lf8 h SER 120 Cb 0.08 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1lf8 h SER 120 CO -0.13 0.61 -0.36 -0.50 -1.14 0.00 0.00 176.83 175.31 1lf8 h TRP 121 N 1.06 0.12 0.00 3.45 6.55 -0.30 -0.93 115.95 125.91 1lf8 h TRP 121 Ca 0.37 -0.03 -0.02 0.00 0.95 0.00 0.00 58.89 60.16 1lf8 h TRP 121 Cb 0.08 -0.03 -0.00 0.00 -0.86 0.00 0.00 29.16 28.35 1lf8 h TRP 121 CO -0.02 0.46 -0.11 1.79 -1.05 0.00 0.00 178.44 179.51 1lf8 h THR 122 N 0.10 0.72 0.00 1.49 1.35 -1.10 0.40 112.91 115.87 1lf8 h THR 122 Ca 0.01 -0.43 -0.26 0.00 -0.55 0.00 0.00 66.41 65.17 1lf8 h THR 122 Cb 0.68 1.26 -0.04 0.00 -1.73 0.00 0.00 68.15 68.33 1lf8 h THR 122 CO 0.05 0.11 -1.44 0.23 -0.25 0.00 0.00 175.52 174.22 1lf8 n MET 123 N -3.89 0.57 -0.25 4.72 2.81 -0.99 -4.11 117.12 115.99 1lf8 n MET 123 Ca -0.02 0.53 -0.07 0.00 -1.81 0.00 0.00 57.70 56.33 1lf8 n MET 123 Cb 0.20 -1.72 0.05 0.00 -0.71 0.00 0.00 33.22 31.04 1lf8 n MET 123 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1lf8 h ALA 124 N -0.53 0.92 -2.05 3.04 0.00 -1.08 -3.32 119.26 116.24 1lf8 h ALA 124 Ca -0.40 -0.22 -0.67 0.00 0.00 0.00 0.00 54.91 53.62 1lf8 h ALA 124 Cb 1.37 -0.27 -0.37 0.00 0.00 0.00 0.00 17.79 18.52 1lf8 h ALA 124 CO -0.23 0.60 -0.09 1.28 0.00 0.00 0.00 179.25 180.81 1lf8 n LEU 125 N -4.30 4.93 0.33 0.00 4.77 0.14 -4.83 117.00 118.04 1lf8 n LEU 125 Ca 0.05 -5.42 0.23 0.00 -0.03 0.00 0.00 56.01 50.83 1lf8 n LEU 125 Cb 0.22 -0.85 1.20 0.00 -2.33 0.00 0.00 43.42 41.66 1lf8 n LEU 125 CO 0.41 2.01 1.18 -0.65 -1.33 0.00 0.00 177.39 179.01 1lf8 h PRO 126 N 4.30 0.00 -0.23 3.23 0.11 -1.71 -1.38 132.00 136.32 1lf8 h PRO 126 Ca 0.22 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.20 1lf8 h PRO 126 Cb 0.59 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1lf8 h PRO 126 CO 1.00 0.00 -0.41 1.05 -0.21 0.00 0.00 178.00 179.43 1lf8 h GLU 127 N 0.00 0.55 -5.47 1.05 4.11 -1.92 -3.38 114.58 109.52 1lf8 h GLU 127 Ca 0.00 -0.28 -0.68 0.00 0.07 0.00 0.00 59.36 58.47 1lf8 h GLU 127 Cb 0.02 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.15 1lf8 h GLU 127 CO 0.00 0.87 1.63 -1.21 0.07 0.00 0.00 179.01 180.36 1lf8 s GLU 128 N -4.23 3.89 0.49 1.06 0.41 -0.52 -4.85 118.70 114.95 1lf8 s GLU 128 Ca -0.07 -1.97 0.16 0.00 -0.41 0.00 0.00 54.97 52.68 1lf8 s GLU 128 Cb 0.12 -5.28 1.18 0.00 -1.78 0.00 0.00 34.13 28.38 1lf8 s GLU 128 CO 0.82 -2.04 2.08 0.00 -0.49 0.00 0.00 175.26 175.64 1lf8 h ALA 129 N 8.06 2.03 0.00 5.21 0.00 -1.82 -2.31 119.26 130.43 1lf8 h ALA 129 Ca 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1lf8 h ALA 129 Cb 0.92 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1lf8 h ALA 129 CO 1.34 -0.08 -0.16 0.87 0.00 0.00 0.00 179.25 181.22 1lf8 h LYS 130 N 0.16 0.00 -0.20 0.00 1.57 -1.89 -2.42 116.57 113.78 1lf8 h LYS 130 Ca 0.11 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.72 1lf8 h LYS 130 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1lf8 h LYS 130 CO -0.02 0.16 -0.57 0.82 -0.57 0.00 0.00 179.45 179.27 1lf8 h ILE 131 N 0.00 1.31 -0.33 1.86 2.04 -1.62 -2.40 117.51 118.38 1lf8 h ILE 131 Ca -0.00 -1.81 -0.04 0.00 1.00 0.00 0.00 64.86 64.00 1lf8 h ILE 131 Cb 0.43 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1lf8 h ILE 131 CO 0.02 0.57 0.03 0.11 0.00 0.00 0.00 178.15 178.88 1lf8 h LYS 132 N 0.48 0.56 -0.71 2.37 1.57 -1.53 -1.69 116.57 117.61 1lf8 h LYS 132 Ca 0.00 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1lf8 h LYS 132 Cb 1.13 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 1lf8 h LYS 132 CO 0.11 0.66 0.47 -0.44 -0.57 0.00 0.00 179.45 179.68 1lf8 h ASP 133 N 0.37 0.81 -0.55 0.86 3.32 -1.45 0.60 116.42 120.38 1lf8 h ASP 133 Ca 0.10 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1lf8 h ASP 133 Cb 0.39 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1lf8 h ASP 133 CO 0.01 0.58 0.35 0.00 -1.72 0.00 0.00 179.24 178.46 1lf8 h ALA 134 N 1.27 0.70 -0.28 3.45 0.00 -1.24 -0.61 119.26 122.54 1lf8 h ALA 134 Ca 0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1lf8 h ALA 134 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1lf8 h ALA 134 CO -0.06 0.10 -0.08 -0.92 0.00 0.00 0.00 179.25 178.29 1lf8 h TYR 135 N 0.71 0.61 -0.26 0.00 3.20 -0.70 -2.76 116.97 117.77 1lf8 h TYR 135 Ca 0.21 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1lf8 h TYR 135 Cb -0.04 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 1lf8 h TYR 135 CO -0.05 0.75 0.15 0.45 -1.64 0.00 0.00 178.16 177.82 1lf8 h HIS 136 N 0.30 0.35 -0.98 -3.82 3.86 -0.75 -1.76 115.15 112.35 1lf8 h HIS 136 Ca 0.07 -0.01 0.22 0.00 -1.16 0.00 0.00 60.37 59.49 1lf8 h HIS 136 Cb 0.56 -0.11 -0.09 0.00 1.06 0.00 0.00 27.41 28.83 1lf8 h HIS 136 CO 0.05 0.28 0.63 1.98 0.86 0.00 0.00 177.93 181.73 1lf8 h MET 137 N 0.31 0.50 -0.17 2.45 1.85 -1.06 0.36 114.93 119.15 1lf8 h MET 137 Ca 0.09 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.12 1lf8 h MET 137 Cb 0.05 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 31.96 1lf8 h MET 137 CO -0.02 0.33 -0.01 -0.07 -0.40 0.00 0.00 176.91 176.75 1lf8 h LEU 138 N 0.51 0.31 -0.23 3.39 3.38 -1.04 -2.03 115.31 119.60 1lf8 h LEU 138 Ca 0.54 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1lf8 h LEU 138 Cb 1.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1lf8 h LEU 138 CO -0.28 0.56 0.05 0.11 0.09 0.00 0.00 178.44 178.97 1lf8 h LYS 139 N 0.06 0.36 -0.98 1.13 1.57 -0.43 -0.01 116.57 118.27 1lf8 h LYS 139 Ca 0.05 -0.09 0.16 0.00 -1.87 0.00 0.00 60.65 58.90 1lf8 h LYS 139 Cb 0.40 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.57 1lf8 h LYS 139 CO 0.01 0.48 0.61 -0.09 -0.57 0.00 0.00 179.45 179.89 1lf8 h ARG 140 N 0.19 0.80 -0.10 3.15 2.43 -0.38 0.21 114.38 120.67 1lf8 h ARG 140 Ca 0.07 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1lf8 h ARG 140 Cb 0.28 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1lf8 h ARG 140 CO 0.00 0.53 0.00 1.04 -1.51 0.00 0.00 179.97 180.03 1lf8 n GLN 141 N -4.65 1.39 -1.03 0.20 1.13 -0.77 -4.91 117.38 108.73 1lf8 n GLN 141 Ca 0.20 -0.59 -0.01 0.00 -1.94 0.00 0.00 57.00 54.67 1lf8 n GLN 141 Cb 0.48 -1.33 -0.00 0.00 0.11 0.00 0.00 30.24 29.50 1lf8 n GLN 141 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1lf8 n GLY 142 N 0.95 0.49 0.11 1.08 0.00 0.73 -4.90 105.19 103.64 1lf8 n GLY 142 Ca 0.14 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 1lf8 n GLY 142 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1lf8 h ILE 143 N 0.00 1.56 -3.73 -0.61 2.04 -1.18 -3.39 117.51 112.19 1lf8 h ILE 143 Ca -0.02 -2.79 -0.66 0.00 1.00 0.00 0.00 64.86 62.38 1lf8 h ILE 143 Cb 0.21 2.54 -0.39 0.00 -0.74 0.00 0.00 36.82 38.44 1lf8 h ILE 143 CO 0.03 0.80 -0.74 -0.69 0.00 0.00 0.00 178.15 177.56 1lf8 s VAL 144 N -3.11 2.28 0.06 1.67 1.01 -1.19 -4.97 120.40 116.15 1lf8 s VAL 144 Ca -0.01 -2.16 -0.31 0.00 0.00 0.00 0.00 61.98 59.50 1lf8 s VAL 144 Cb 0.10 -2.60 -0.18 0.00 0.00 0.00 0.00 36.38 33.70 1lf8 s VAL 144 CO 0.81 -0.46 1.54 1.56 0.00 0.00 0.00 175.10 178.56 1lf8 h GLN 145 N 7.66 -0.76 -4.57 2.72 4.20 -1.89 -3.39 115.11 119.08 1lf8 h GLN 145 Ca -0.08 0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.46 1lf8 h GLN 145 Cb 1.03 0.17 -0.17 0.00 0.30 0.00 0.00 27.48 28.81 1lf8 h GLN 145 CO 0.51 -0.48 -0.70 -1.54 -0.67 0.00 0.00 178.83 175.95 1lf8 s SER 146 N -4.55 0.98 0.30 1.46 1.04 -1.26 -5.07 113.70 106.61 1lf8 s SER 146 Ca -0.17 -0.88 -0.30 0.00 0.48 0.00 0.00 55.95 55.09 1lf8 s SER 146 Cb 0.03 0.09 -0.12 0.00 0.10 0.00 0.00 66.02 66.12 1lf8 s SER 146 CO 0.60 -0.41 1.47 0.47 0.98 0.00 0.00 173.24 176.35 1lf8 n ASP 147 N 0.39 3.33 -4.93 7.02 8.00 -1.26 -4.96 116.55 124.14 1lf8 n ASP 147 Ca -0.15 1.17 -0.25 0.00 0.71 0.00 0.00 54.79 56.27 1lf8 n ASP 147 Cb 0.59 -1.53 0.02 0.00 -0.02 0.00 0.00 41.12 40.18 1lf8 n ASP 147 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1lf8 s PRO 148 N -1.01 3.11 0.45 -0.24 0.04 -1.26 -5.07 135.00 131.02 1lf8 s PRO 148 Ca 0.62 -0.17 -0.20 0.00 0.04 0.00 0.00 61.00 61.28 1lf8 s PRO 148 Cb -0.55 -2.42 -0.10 0.00 0.04 0.00 0.00 34.50 31.47 1lf8 s PRO 148 CO 0.54 -0.41 0.97 -1.25 0.04 0.00 0.00 177.00 176.89 1lf8 s PRO 149 N -4.75 4.12 0.06 0.56 0.04 -1.26 -5.07 135.00 128.70 1lf8 s PRO 149 Ca 0.50 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.69 1lf8 s PRO 149 Cb -0.10 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1lf8 s PRO 149 CO 0.42 -0.13 -0.06 0.96 0.04 0.00 0.00 177.00 178.23 1lf8 s ILE 150 N -2.20 0.48 0.59 0.56 -4.36 -1.26 -5.03 121.20 109.98 1lf8 s ILE 150 Ca 0.62 -1.40 -0.18 0.00 -0.26 0.00 0.00 60.65 59.43 1lf8 s ILE 150 Cb -0.10 -0.99 -0.06 0.00 1.25 0.00 0.00 42.46 42.56 1lf8 s ILE 150 CO 0.16 -0.62 0.85 -2.65 0.24 0.00 0.00 174.94 172.92 1lf8 n PRO 151 N 0.87 0.80 -2.54 0.37 -0.02 -1.26 -4.89 135.00 128.33 1lf8 n PRO 151 Ca -0.19 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 1lf8 n PRO 151 Cb 0.57 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1lf8 n PRO 151 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1lf8 s VAL 152 N -1.56 4.47 -0.28 -1.45 1.01 -1.26 -4.98 120.40 116.35 1lf8 s VAL 152 Ca 0.74 1.77 -0.02 0.00 0.00 0.00 0.00 61.98 64.47 1lf8 s VAL 152 Cb -0.43 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 31.93 1lf8 s VAL 152 CO 0.49 -0.13 0.23 -0.62 0.00 0.00 0.00 175.10 175.07 1lf8 s ASP 153 N 1.56 2.31 0.00 3.32 -1.08 -1.26 -5.02 116.67 116.50 1lf8 s ASP 153 Ca 0.50 -0.89 0.11 0.00 -0.52 0.00 0.00 52.55 51.74 1lf8 s ASP 153 Cb -0.19 0.19 0.58 0.00 -1.46 0.00 0.00 42.92 42.03 1lf8 s ASP 153 CO 0.12 -0.40 1.17 0.54 0.52 0.00 0.00 175.17 177.12 1lf8 n ARG 154 N 5.29 0.23 0.00 4.34 1.74 -1.26 -2.06 116.66 124.93 1lf8 n ARG 154 Ca -0.04 0.11 0.13 0.00 -0.77 0.00 0.00 57.85 57.28 1lf8 n ARG 154 Cb 0.45 -1.50 0.35 0.00 -1.02 0.00 0.00 32.46 30.74 1lf8 n ARG 154 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1lf8 n THR 155 N -1.17 0.00 0.74 0.55 -2.24 -1.26 -4.07 114.28 106.84 1lf8 n THR 155 Ca 0.06 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1lf8 n THR 155 Cb 0.06 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1lf8 n THR 155 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1lf8 n LEU 156 N -0.71 1.95 0.00 3.22 4.77 -0.88 -5.03 117.00 120.33 1lf8 n LEU 156 Ca 0.11 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1lf8 n LEU 156 Cb 0.35 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1lf8 n LEU 156 CO 0.27 0.34 0.00 -0.38 -1.33 0.00 0.00 177.39 176.29