#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bcf s LYS 2 N 0.00 4.30 -0.44 2.12 -2.85 -1.26 -3.76 119.74 117.86 1bcf s LYS 2 Ca 0.00 2.24 0.06 0.00 -1.00 0.00 0.00 55.97 57.28 1bcf s LYS 2 Cb 0.00 -3.11 0.18 0.00 -2.06 0.00 0.00 37.83 32.83 1bcf s LYS 2 CO 0.00 -0.34 0.59 0.20 0.10 0.00 0.00 175.35 175.89 1bcf s GLY 3 N 0.18 -0.79 -0.00 0.59 0.00 -0.55 -4.99 107.32 101.75 1bcf s GLY 3 Ca 0.57 -0.49 -0.01 0.00 0.00 0.00 0.00 44.72 44.79 1bcf s GLY 3 CO 0.45 3.34 0.02 1.34 0.00 0.00 0.00 173.10 178.24 1bcf n ASP 4 N 3.72 -5.67 -0.05 1.64 -0.08 -1.26 -4.67 116.55 110.19 1bcf n ASP 4 Ca 0.15 1.04 -0.08 0.00 -1.51 0.00 0.00 54.79 54.39 1bcf n ASP 4 Cb 0.53 -3.43 -0.02 0.00 2.34 0.00 0.00 41.12 40.54 1bcf n ASP 4 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1bcf h THR 5 N 2.44 0.81 -0.98 5.18 2.02 -1.98 -2.03 112.91 118.37 1bcf h THR 5 Ca -0.04 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 67.21 1bcf h THR 5 Cb 0.10 0.77 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 1bcf h THR 5 CO 0.00 0.01 0.62 0.50 0.37 0.00 0.00 175.52 177.02 1bcf h LYS 6 N 0.03 1.04 -0.38 6.66 3.11 -1.99 0.35 116.57 125.40 1bcf h LYS 6 Ca 0.11 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 57.84 1bcf h LYS 6 Cb 0.15 -0.24 -0.02 0.00 -1.00 0.00 0.00 32.23 31.13 1bcf h LYS 6 CO -0.20 0.69 0.07 0.28 -2.81 0.00 0.00 179.45 177.48 1bcf h VAL 7 N 1.08 1.24 0.00 2.00 2.07 -1.70 -1.50 116.25 119.42 1bcf h VAL 7 Ca 0.45 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1bcf h VAL 7 Cb 0.29 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1bcf h VAL 7 CO -0.21 0.29 -0.12 0.40 0.02 0.00 0.00 177.57 177.94 1bcf h ILE 8 N 0.48 0.50 0.03 4.57 2.04 -0.56 -0.75 117.51 123.81 1bcf h ILE 8 Ca 0.12 -0.60 -0.20 0.00 1.00 0.00 0.00 64.86 65.18 1bcf h ILE 8 Cb 0.35 1.41 0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1bcf h ILE 8 CO 0.01 0.12 -0.78 0.78 0.00 0.00 0.00 178.15 178.28 1bcf h ASN 9 N 0.00 0.64 -0.52 1.72 4.21 -0.50 -2.24 115.58 118.89 1bcf h ASN 9 Ca -0.00 -0.78 -0.01 0.00 1.21 0.00 0.00 56.30 56.71 1bcf h ASN 9 Cb 0.40 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.37 1bcf h ASN 9 CO 0.02 1.34 0.27 1.88 -1.29 0.00 0.00 177.43 179.65 1bcf h TYR 10 N 0.01 0.73 -0.70 1.19 0.05 -0.77 -1.51 116.97 115.97 1bcf h TYR 10 Ca -0.10 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.67 1bcf h TYR 10 Cb 1.49 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.95 1bcf h TYR 10 CO 0.14 0.56 0.44 -0.07 -1.05 0.00 0.00 178.16 178.18 1bcf h LEU 11 N 0.70 0.73 -0.81 3.88 4.07 -1.17 0.25 115.31 122.95 1bcf h LEU 11 Ca 0.18 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.02 1bcf h LEU 11 Cb 0.09 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1bcf h LEU 11 CO -0.03 0.51 -0.41 0.78 -1.08 0.00 0.00 178.44 178.21 1bcf h ASN 12 N 0.87 0.42 -0.32 -0.43 2.35 -1.23 -0.52 115.58 116.72 1bcf h ASN 12 Ca 0.28 -0.18 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 1bcf h ASN 12 Cb -0.00 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1bcf h ASN 12 CO -0.10 0.79 -0.39 0.50 -1.65 0.00 0.00 177.43 176.58 1bcf h LYS 13 N 0.33 0.82 -0.72 0.81 3.64 -0.65 -2.05 116.57 118.75 1bcf h LYS 13 Ca 0.03 -0.46 -0.06 0.00 -1.27 0.00 0.00 60.65 58.89 1bcf h LYS 13 Cb 0.86 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 1bcf h LYS 13 CO 0.07 1.10 0.23 -0.07 -2.27 0.00 0.00 179.45 178.51 1bcf h LEU 14 N 0.60 1.04 -0.70 5.20 4.07 -0.83 -1.82 115.31 122.86 1bcf h LEU 14 Ca 0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 1bcf h LEU 14 Cb 0.98 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.41 1bcf h LEU 14 CO 0.09 0.97 0.42 0.25 -1.08 0.00 0.00 178.44 179.09 1bcf h LEU 15 N 1.06 0.85 -0.70 1.67 5.85 -1.00 -1.84 115.31 121.20 1bcf h LEU 15 Ca 0.23 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1bcf h LEU 15 Cb 0.29 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1bcf h LEU 15 CO -0.01 0.67 0.44 1.23 -0.34 0.00 0.00 178.44 180.43 1bcf h GLY 16 N 0.96 1.00 0.61 3.75 0.00 -1.07 -0.51 103.07 107.82 1bcf h GLY 16 Ca 0.25 -0.40 0.08 0.00 0.00 0.00 0.00 47.33 47.26 1bcf h GLY 16 CO -0.05 0.39 0.48 3.43 0.00 0.00 0.00 176.54 180.79 1bcf h ASN 17 N 0.95 0.72 -0.29 0.19 -0.26 -0.72 -1.99 115.58 114.17 1bcf h ASN 17 Ca 0.25 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 56.01 1bcf h ASN 17 Cb -0.06 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 1bcf h ASN 17 CO -0.05 0.43 0.11 -0.33 -1.06 0.00 0.00 177.43 176.54 1bcf h GLU 18 N 0.84 0.44 -0.87 0.81 4.39 -0.47 -2.82 114.58 116.90 1bcf h GLU 18 Ca 0.38 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 60.06 1bcf h GLU 18 Cb 0.27 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 1bcf h GLU 18 CO -0.21 0.47 0.54 -0.07 -1.16 0.00 0.00 179.01 178.57 1bcf h LEU 19 N 0.32 0.83 -0.66 1.33 3.38 -0.40 -0.46 115.31 119.65 1bcf h LEU 19 Ca 0.10 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1bcf h LEU 19 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1bcf h LEU 19 CO -0.01 0.52 -0.34 1.62 0.09 0.00 0.00 178.44 180.32 1bcf h VAL 20 N 0.96 1.29 -0.62 1.22 3.04 -1.38 -3.00 116.25 117.76 1bcf h VAL 20 Ca 0.39 -1.48 -0.08 0.00 -1.01 0.00 0.00 66.70 64.52 1bcf h VAL 20 Cb 0.22 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 30.89 1bcf h VAL 20 CO -0.19 0.48 0.07 0.00 -1.01 0.00 0.00 177.57 176.92 1bcf h ALA 21 N 1.07 0.95 -0.60 3.17 0.00 -1.05 -0.73 119.26 122.07 1bcf h ALA 21 Ca 0.06 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1bcf h ALA 21 Cb 0.85 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1bcf h ALA 21 CO 0.07 0.65 0.14 -0.84 0.00 0.00 0.00 179.25 179.27 1bcf h ILE 22 N 0.96 1.25 -0.32 0.00 -2.65 -1.06 -1.85 117.51 113.84 1bcf h ILE 22 Ca 0.19 -0.92 -0.04 0.00 1.03 0.00 0.00 64.86 65.11 1bcf h ILE 22 Cb 0.45 0.70 -0.01 0.00 -2.05 0.00 0.00 36.82 35.91 1bcf h ILE 22 CO 0.02 0.34 0.03 0.78 0.03 0.00 0.00 178.15 179.35 1bcf h ASN 23 N 0.88 0.53 -0.44 2.16 4.21 -1.33 -1.00 115.58 120.58 1bcf h ASN 23 Ca 0.19 -0.28 -0.14 0.00 1.21 0.00 0.00 56.30 57.28 1bcf h ASN 23 Cb 0.36 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 1bcf h ASN 23 CO 0.00 0.68 -0.27 -0.61 -1.29 0.00 0.00 177.43 175.95 1bcf h GLN 24 N 0.36 0.96 -0.23 0.81 4.15 -1.11 -2.39 115.11 117.66 1bcf h GLN 24 Ca 0.09 -0.44 -0.11 0.00 0.77 0.00 0.00 58.65 58.96 1bcf h GLN 24 Cb 0.39 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1bcf h GLN 24 CO 0.01 1.11 -0.34 1.88 -1.93 0.00 0.00 178.83 179.56 1bcf h TYR 25 N 0.80 0.56 -0.16 3.99 0.05 -1.28 -1.60 116.97 119.32 1bcf h TYR 25 Ca 0.09 -0.14 -0.21 0.00 0.05 0.00 0.00 58.73 58.52 1bcf h TYR 25 Cb 0.85 -0.13 0.01 0.00 1.01 0.00 0.00 36.73 38.47 1bcf h TYR 25 CO 0.06 0.76 -0.73 0.35 -1.05 0.00 0.00 178.16 177.55 1bcf h PHE 26 N 0.41 0.98 -0.25 4.88 3.04 -1.13 -1.31 116.94 123.55 1bcf h PHE 26 Ca 0.05 -0.42 -0.09 0.00 3.98 0.00 0.00 57.97 61.49 1bcf h PHE 26 Cb 0.79 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 1bcf h PHE 26 CO 0.03 1.23 -0.18 1.25 -2.02 0.00 0.00 178.31 178.62 1bcf h LEU 27 N 0.51 0.59 -0.40 0.59 5.85 -1.35 -2.41 115.31 118.69 1bcf h LEU 27 Ca -0.04 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.28 1bcf h LEU 27 Cb 1.35 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1bcf h LEU 27 CO 0.15 0.91 0.18 0.45 -0.34 0.00 0.00 178.44 179.79 1bcf h HIS 28 N 0.28 0.33 -0.23 1.25 3.86 -1.33 0.47 115.15 119.78 1bcf h HIS 28 Ca 0.05 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1bcf h HIS 28 Cb 0.71 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 29.03 1bcf h HIS 28 CO 0.07 0.15 -0.22 0.00 0.86 0.00 0.00 177.93 178.79 1bcf h ALA 29 N 1.23 -0.10 0.00 2.45 0.00 -1.11 -0.76 119.26 120.97 1bcf h ALA 29 Ca 0.18 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1bcf h ALA 29 Cb 0.12 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1bcf h ALA 29 CO -0.15 -0.65 -0.24 0.00 0.00 0.00 0.00 179.25 178.21 1bcf h ARG 30 N -0.23 0.00 -0.16 0.00 2.47 -1.07 -0.08 114.38 115.30 1bcf h ARG 30 Ca 0.13 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.77 1bcf h ARG 30 Cb 0.43 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1bcf h ARG 30 CO -0.36 0.24 -0.23 0.52 0.56 0.00 0.00 179.97 180.70 1bcf h MET 31 N 0.00 0.44 0.22 0.04 2.86 -0.16 -2.03 114.93 116.30 1bcf h MET 31 Ca -0.00 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1bcf h MET 31 Cb 0.69 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1bcf h MET 31 CO 0.03 0.85 -0.11 0.74 1.06 0.00 0.00 176.91 179.48 1bcf h PHE 32 N 0.07 -0.27 -0.42 -0.22 0.04 -0.92 -1.87 116.94 113.35 1bcf h PHE 32 Ca 0.02 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.87 1bcf h PHE 32 Cb 0.80 0.09 -0.09 0.00 2.20 0.00 0.00 35.95 38.95 1bcf h PHE 32 CO 0.09 -0.09 -0.21 -0.22 -0.60 0.00 0.00 178.31 177.27 1bcf h LYS 33 N -0.40 -0.13 -1.00 1.51 3.64 -1.07 -0.93 116.57 118.19 1bcf h LYS 33 Ca -0.03 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.56 1bcf h LYS 33 Cb 0.30 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.05 1bcf h LYS 33 CO 0.05 -0.09 0.61 -0.97 -2.27 0.00 0.00 179.45 176.79 1bcf h ASN 34 N -0.13 0.74 0.86 4.20 -1.24 -1.16 0.43 115.58 119.28 1bcf h ASN 34 Ca 0.20 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.31 1bcf h ASN 34 Cb 0.45 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1bcf h ASN 34 CO -0.50 0.24 0.00 0.79 -1.29 0.00 0.00 177.43 176.67 1bcf n TRP 35 N -4.76 0.00 -0.14 0.67 8.01 -0.43 -4.90 117.44 115.89 1bcf n TRP 35 Ca 0.24 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.43 1bcf n TRP 35 Cb 0.61 -0.48 0.00 0.00 -2.01 0.00 0.00 31.31 29.44 1bcf n TRP 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bcf n GLY 36 N 1.18 0.77 3.45 6.99 0.00 0.15 -5.01 105.19 112.71 1bcf n GLY 36 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1bcf n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bcf n LEU 37 N 0.00 5.27 -0.30 0.99 4.32 -0.72 -4.38 117.00 122.17 1bcf n LEU 37 Ca 0.00 -4.37 -0.00 0.00 -0.02 0.00 0.00 56.01 51.62 1bcf n LEU 37 Cb 0.00 -1.64 0.13 0.00 -1.62 0.00 0.00 43.42 40.29 1bcf n LEU 37 CO 0.00 0.66 1.19 0.11 -1.22 0.00 0.00 177.39 178.13 1bcf h LYS 38 N 7.12 0.96 -0.65 3.23 1.57 -1.57 -2.29 116.57 124.93 1bcf h LYS 38 Ca 0.35 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1bcf h LYS 38 Cb 0.85 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1bcf h LYS 38 CO 1.31 0.63 0.30 -0.09 -0.57 0.00 0.00 179.45 181.04 1bcf h ARG 39 N 0.98 0.95 -0.17 3.15 2.43 -1.20 -0.89 114.38 119.63 1bcf h ARG 39 Ca 0.36 -0.15 -0.16 0.00 -0.81 0.00 0.00 59.98 59.22 1bcf h ARG 39 Cb 0.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1bcf h ARG 39 CO -0.15 0.77 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.44 1bcf h LEU 40 N 0.91 0.59 -0.18 3.80 4.07 -1.74 -2.25 115.31 120.51 1bcf h LEU 40 Ca 0.22 -0.32 -0.04 0.00 0.08 0.00 0.00 57.88 57.82 1bcf h LEU 40 Cb 0.14 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1bcf h LEU 40 CO -0.03 1.03 -0.05 -1.13 -1.08 0.00 0.00 178.44 177.18 1bcf h ASN 41 N 0.40 0.35 -0.53 -0.43 -1.24 -1.28 -1.89 115.58 110.97 1bcf h ASN 41 Ca 0.00 -0.38 0.04 0.00 0.71 0.00 0.00 56.30 56.68 1bcf h ASN 41 Cb 1.10 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 40.01 1bcf h ASN 41 CO 0.10 0.65 0.28 0.44 -1.29 0.00 0.00 177.43 177.61 1bcf h ASP 42 N 0.05 0.40 0.26 1.15 5.19 -1.08 -0.83 116.42 121.57 1bcf h ASP 42 Ca 0.04 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1bcf h ASP 42 Cb 0.50 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1bcf h ASP 42 CO 0.02 0.28 -0.12 0.58 -3.12 0.00 0.00 179.24 176.87 1bcf h VAL 43 N 0.54 0.70 -0.53 -1.35 2.07 -1.41 -2.98 116.25 113.29 1bcf h VAL 43 Ca 0.23 -0.83 0.10 0.00 0.82 0.00 0.00 66.70 67.01 1bcf h VAL 43 Cb 0.13 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1bcf h VAL 43 CO -0.15 0.15 0.36 -0.33 0.02 0.00 0.00 177.57 177.62 1bcf h GLU 44 N -0.84 0.29 -0.11 1.57 4.39 -1.34 -2.35 114.58 116.19 1bcf h GLU 44 Ca -0.04 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1bcf h GLU 44 Cb 0.51 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1bcf h GLU 44 CO 0.06 0.19 0.02 -0.92 -1.16 0.00 0.00 179.01 177.20 1bcf h TYR 45 N 0.30 0.19 0.00 4.33 3.20 -1.19 -2.72 116.97 121.08 1bcf h TYR 45 Ca 0.25 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 1bcf h TYR 45 Cb 0.57 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1bcf h TYR 45 CO -0.00 0.36 -0.36 1.25 -1.64 0.00 0.00 178.16 177.77 1bcf h HIS 46 N -0.04 0.00 -0.24 -3.82 2.76 -1.29 -2.25 115.15 110.28 1bcf h HIS 46 Ca 0.03 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.09 1bcf h HIS 46 Cb 0.27 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 1bcf h HIS 46 CO 0.01 0.36 -0.32 0.93 -1.30 0.00 0.00 177.93 177.61 1bcf h GLU 47 N 0.00 0.50 -0.73 5.26 5.08 -1.41 -0.54 114.58 122.73 1bcf h GLU 47 Ca -0.00 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1bcf h GLU 47 Cb 0.64 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1bcf h GLU 47 CO 0.05 0.76 0.26 1.03 -1.00 0.00 0.00 179.01 180.10 1bcf h SER 48 N 0.43 1.03 -0.28 1.42 0.87 -1.10 -0.57 113.55 115.34 1bcf h SER 48 Ca 0.05 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.34 1bcf h SER 48 Cb 0.77 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1bcf h SER 48 CO 0.06 0.94 -0.09 0.40 -0.53 0.00 0.00 176.83 177.61 1bcf h ILE 49 N 1.06 1.25 0.05 2.23 1.08 -1.00 -0.78 117.51 121.39 1bcf h ILE 49 Ca 0.24 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.62 1bcf h ILE 49 Cb 0.26 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 1bcf h ILE 49 CO -0.01 0.37 -0.02 0.44 -0.69 0.00 0.00 178.15 178.23 1bcf h ASP 50 N 0.63 -0.05 -0.99 1.72 3.32 -0.50 -1.75 116.42 118.79 1bcf h ASP 50 Ca 0.11 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 57.09 1bcf h ASP 50 Cb 0.53 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.02 1bcf h ASP 50 CO 0.03 0.12 0.64 -0.33 -1.72 0.00 0.00 179.24 177.97 1bcf h GLU 51 N -0.22 1.11 -0.92 3.56 4.39 -0.91 0.74 114.58 122.33 1bcf h GLU 51 Ca -0.01 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.66 1bcf h GLU 51 Cb 0.20 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1bcf h GLU 51 CO 0.01 0.73 0.61 0.52 -1.16 0.00 0.00 179.01 179.72 1bcf h MET 52 N 1.14 1.14 0.05 2.33 2.86 -0.94 -0.51 114.93 121.00 1bcf h MET 52 Ca 0.44 -0.07 -0.23 0.00 -2.06 0.00 0.00 59.70 57.78 1bcf h MET 52 Cb 0.21 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1bcf h MET 52 CO -0.19 0.75 -1.04 0.87 1.06 0.00 0.00 176.91 178.37 1bcf h LYS 53 N 1.17 0.17 -0.22 1.72 1.57 -0.32 -2.84 116.57 117.82 1bcf h LYS 53 Ca 0.36 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1bcf h LYS 53 Cb -0.01 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1bcf h LYS 53 CO -0.11 1.06 0.14 0.45 -0.57 0.00 0.00 179.45 180.42 1bcf h HIS 54 N 0.07 0.27 -0.45 -1.35 3.86 -0.27 -2.61 115.15 114.67 1bcf h HIS 54 Ca -0.07 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1bcf h HIS 54 Cb 1.74 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 30.07 1bcf h HIS 54 CO 0.03 0.17 0.20 0.00 0.86 0.00 0.00 177.93 179.19 1bcf h ALA 55 N 1.08 0.56 -0.50 2.45 0.00 -1.12 -1.64 119.26 120.08 1bcf h ALA 55 Ca 0.08 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1bcf h ALA 55 Cb -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1bcf h ALA 55 CO -0.02 -0.18 0.33 0.22 0.00 0.00 0.00 179.25 179.61 1bcf h ASP 56 N 0.39 0.56 -0.29 0.00 3.58 -1.37 -1.12 116.42 118.17 1bcf h ASP 56 Ca 0.20 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1bcf h ASP 56 Cb 0.16 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1bcf h ASP 56 CO -0.18 0.40 0.19 0.03 -2.88 0.00 0.00 179.24 176.80 1bcf h ARG 57 N 0.66 0.38 -0.20 0.28 3.08 -0.92 -2.12 114.38 115.53 1bcf h ARG 57 Ca 0.19 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1bcf h ARG 57 Cb -0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1bcf h ARG 57 CO -0.04 0.25 0.05 1.88 -1.07 0.00 0.00 179.97 181.04 1bcf h TYR 58 N 0.39 0.33 -0.82 3.04 0.05 -1.04 -1.94 116.97 116.99 1bcf h TYR 58 Ca 0.11 -0.04 0.10 0.00 0.05 0.00 0.00 58.73 58.95 1bcf h TYR 58 Cb -0.04 -0.09 -0.08 0.00 1.01 0.00 0.00 36.73 37.53 1bcf h TYR 58 CO -0.06 0.43 0.45 0.82 -1.05 0.00 0.00 178.16 178.75 1bcf h ILE 59 N 0.14 0.87 -0.14 -2.88 2.04 -1.12 0.84 117.51 117.26 1bcf h ILE 59 Ca 0.06 -0.25 -0.20 0.00 1.00 0.00 0.00 64.86 65.47 1bcf h ILE 59 Cb 0.26 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1bcf h ILE 59 CO 0.00 0.13 -0.74 -0.33 0.00 0.00 0.00 178.15 177.22 1bcf h GLU 60 N 0.74 0.65 -0.26 2.37 5.08 -1.27 -2.29 114.58 119.59 1bcf h GLU 60 Ca 0.40 -0.51 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1bcf h GLU 60 Cb 0.42 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1bcf h GLU 60 CO -0.27 1.13 0.02 -0.09 -1.00 0.00 0.00 179.01 178.80 1bcf h ARG 61 N 0.45 0.45 -0.78 2.33 9.65 -0.79 -1.71 114.38 123.98 1bcf h ARG 61 Ca -0.04 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 58.71 1bcf h ARG 61 Cb 1.34 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.84 1bcf h ARG 61 CO 0.14 0.60 0.52 0.82 2.80 0.00 0.00 179.97 184.85 1bcf h ILE 62 N 0.24 1.20 -0.50 1.20 2.04 -0.87 -1.66 117.51 119.16 1bcf h ILE 62 Ca 0.08 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1bcf h ILE 62 Cb 0.39 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1bcf h ILE 62 CO 0.01 0.19 -0.04 -0.07 0.00 0.00 0.00 178.15 178.24 1bcf h LEU 63 N 1.06 0.86 0.02 1.44 4.07 -1.27 0.16 115.31 121.63 1bcf h LEU 63 Ca 0.29 -0.24 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1bcf h LEU 63 Cb -0.12 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.39 1bcf h LEU 63 CO -0.06 0.94 -0.01 0.15 -1.08 0.00 0.00 178.44 178.38 1bcf h PHE 64 N 0.80 -0.02 0.00 1.13 3.57 -0.89 -2.66 116.94 118.87 1bcf h PHE 64 Ca 0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1bcf h PHE 64 Cb 0.54 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1bcf h PHE 64 CO 0.03 0.20 0.00 1.28 -2.23 0.00 0.00 178.31 177.59 1bcf n LEU 65 N -5.00 0.00 -1.78 0.59 4.32 -0.66 -0.76 117.00 113.71 1bcf n LEU 65 Ca -0.08 0.23 -0.08 0.00 -0.02 0.00 0.00 56.01 56.06 1bcf n LEU 65 Cb 0.13 -0.23 0.03 0.00 -1.62 0.00 0.00 43.42 41.73 1bcf n LEU 65 CO 0.33 -0.16 0.07 -0.62 -1.22 0.00 0.00 177.39 175.80 1bcf n GLU 66 N -1.23 -2.87 -4.53 3.23 1.02 -0.93 -1.49 120.64 113.85 1bcf n GLU 66 Ca 0.05 0.32 -0.32 0.00 -0.02 0.00 0.00 57.16 57.19 1bcf n GLU 66 Cb 0.07 -3.80 -0.05 0.00 -0.02 0.00 0.00 31.44 27.64 1bcf n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1bcf s GLY 67 N -3.28 2.91 -0.21 0.62 0.00 0.50 -4.93 107.32 102.93 1bcf s GLY 67 Ca 0.14 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.48 1bcf s GLY 67 CO 0.28 -2.14 -0.15 -2.27 0.00 0.00 0.00 173.10 168.82 1bcf s LEU 68 N -4.02 2.58 0.49 0.66 0.20 -1.26 -4.26 118.68 113.06 1bcf s LEU 68 Ca 0.10 -0.80 -0.24 0.00 0.69 0.00 0.00 54.13 53.89 1bcf s LEU 68 Cb -0.01 -1.54 -0.07 0.00 -0.43 0.00 0.00 46.19 44.15 1bcf s LEU 68 CO 0.06 -0.05 1.40 -2.65 -0.29 0.00 0.00 176.35 174.82 1bcf n PRO 69 N 4.61 2.03 -3.56 0.98 -0.02 -1.26 -4.96 135.00 132.81 1bcf n PRO 69 Ca -0.19 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 1bcf n PRO 69 Cb 0.48 -2.61 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 1bcf n PRO 69 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1bcf s ASN 70 N -0.64 5.72 -0.17 2.55 3.84 -1.26 -4.91 114.94 120.06 1bcf s ASN 70 Ca 0.65 -1.56 0.17 0.00 0.21 0.00 0.00 52.86 52.33 1bcf s ASN 70 Cb -0.44 -2.02 0.51 0.00 -0.55 0.00 0.00 41.25 38.75 1bcf s ASN 70 CO 0.54 -0.58 1.40 0.18 -2.79 0.00 0.00 177.10 175.85 1bcf n LEU 71 N 4.96 3.75 -0.08 3.21 4.77 -1.26 -4.63 117.00 127.72 1bcf n LEU 71 Ca -0.10 -3.02 -0.15 0.00 -0.03 0.00 0.00 56.01 52.72 1bcf n LEU 71 Cb 0.43 -0.53 -0.14 0.00 -2.33 0.00 0.00 43.42 40.84 1bcf n LEU 71 CO 0.41 0.68 -1.08 1.67 -1.33 0.00 0.00 177.39 177.74 1bcf n GLN 72 N -0.58 0.68 -3.21 3.23 -0.06 -1.26 -4.89 117.38 111.29 1bcf n GLN 72 Ca 0.21 0.14 -0.40 0.00 -2.00 0.00 0.00 57.00 54.95 1bcf n GLN 72 Cb 0.87 -1.59 -0.07 0.00 -4.06 0.00 0.00 30.24 25.39 1bcf n GLN 72 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1bcf s ASP 73 N -6.23 6.53 -0.02 1.69 1.01 -1.26 -5.06 116.67 113.34 1bcf s ASP 73 Ca -0.21 0.64 0.01 0.00 0.71 0.00 0.00 52.55 53.71 1bcf s ASP 73 Cb 0.07 -2.30 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 1bcf s ASP 73 CO 0.73 -0.25 -0.01 -0.22 0.21 0.00 0.00 175.17 175.64 1bcf s LEU 74 N 2.00 3.48 0.00 1.23 1.98 -1.26 -4.92 118.68 121.19 1bcf s LEU 74 Ca 0.24 0.01 -0.03 0.00 -2.89 0.00 0.00 54.13 51.45 1bcf s LEU 74 Cb -0.16 -1.96 0.13 0.00 0.66 0.00 0.00 46.19 44.87 1bcf s LEU 74 CO 0.09 0.30 0.84 0.61 -1.89 0.00 0.00 176.35 176.30 1bcf n GLY 75 N 1.57 0.12 3.70 7.98 0.00 -1.26 -5.03 105.19 112.27 1bcf n GLY 75 Ca -0.15 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 1bcf n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bcf s LYS 76 N -4.68 4.46 -0.21 1.61 1.02 -1.26 -4.99 119.74 115.69 1bcf s LYS 76 Ca 0.53 1.52 -0.13 0.00 0.02 0.00 0.00 55.97 57.91 1bcf s LYS 76 Cb -0.03 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1bcf s LYS 76 CO 0.36 -0.24 0.29 -0.51 -0.92 0.00 0.00 175.35 174.32 1bcf s LEU 77 N 1.55 4.16 -0.53 3.17 1.43 -1.26 -5.02 118.68 122.19 1bcf s LEU 77 Ca 0.53 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.91 1bcf s LEU 77 Cb -0.22 -2.33 0.13 0.00 0.03 0.00 0.00 46.19 43.80 1bcf s LEU 77 CO 0.24 0.02 0.40 0.21 0.23 0.00 0.00 176.35 177.45 1bcf s ASN 78 N 0.89 5.74 -0.00 2.29 2.47 -1.26 -4.99 114.94 120.08 1bcf s ASN 78 Ca 0.14 -2.12 -0.05 0.00 0.42 0.00 0.00 52.86 51.26 1bcf s ASN 78 Cb -0.14 -2.01 -0.03 0.00 -1.45 0.00 0.00 41.25 37.63 1bcf s ASN 78 CO 0.05 -0.64 0.67 0.40 -3.72 0.00 0.00 177.10 173.87 1bcf h ILE 79 N 5.89 0.00 0.00 -5.21 1.08 -1.97 -3.46 117.51 113.85 1bcf h ILE 79 Ca -0.15 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1bcf h ILE 79 Cb 1.05 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1bcf h ILE 79 CO 0.83 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.90 1bcf n GLY 80 N 0.09 1.70 0.35 5.37 0.00 -1.26 -4.37 105.19 107.06 1bcf n GLY 80 Ca -0.02 -1.59 0.07 0.00 0.00 0.00 0.00 46.02 44.48 1bcf n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bcf n GLU 81 N 1.72 1.72 -4.14 1.61 -0.58 -1.26 -4.77 120.64 114.95 1bcf n GLU 81 Ca 0.00 -0.81 -0.16 0.00 -0.42 0.00 0.00 57.16 55.76 1bcf n GLU 81 Cb 0.00 -1.22 -0.12 0.00 -0.57 0.00 0.00 31.44 29.54 1bcf n GLU 81 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1bcf s ASP 82 N -1.65 1.39 0.27 1.62 1.47 -1.26 -5.03 116.67 113.48 1bcf s ASP 82 Ca 0.12 -0.61 -0.00 0.00 1.18 0.00 0.00 52.55 53.25 1bcf s ASP 82 Cb 0.11 -0.02 0.59 0.00 -0.34 0.00 0.00 42.92 43.26 1bcf s ASP 82 CO 0.33 -0.13 1.73 1.62 0.68 0.00 0.00 175.17 179.40 1bcf h VAL 83 N 4.32 0.61 -0.60 2.11 3.04 -1.98 0.14 116.25 123.88 1bcf h VAL 83 Ca -0.39 -0.17 -0.03 0.00 -1.01 0.00 0.00 66.70 65.11 1bcf h VAL 83 Cb 1.19 0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 30.53 1bcf h VAL 83 CO 0.41 0.09 0.27 -0.08 -1.01 0.00 0.00 177.57 177.25 1bcf h GLU 84 N 0.49 0.85 -0.06 4.17 4.22 -1.99 -0.17 114.58 122.10 1bcf h GLU 84 Ca 0.49 -0.12 -0.05 0.00 0.08 0.00 0.00 59.36 59.76 1bcf h GLU 84 Cb 0.80 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1bcf h GLU 84 CO -0.44 0.68 -0.17 1.49 -2.18 0.00 0.00 179.01 178.39 1bcf h GLU 85 N 0.85 0.22 -0.26 1.92 4.81 -1.50 -2.88 114.58 117.74 1bcf h GLU 85 Ca 0.21 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1bcf h GLU 85 Cb 0.12 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1bcf h GLU 85 CO -0.02 0.77 0.06 0.52 -0.73 0.00 0.00 179.01 179.61 1bcf h MET 86 N -0.30 0.15 -0.66 1.92 2.86 -0.33 -2.33 114.93 116.24 1bcf h MET 86 Ca -0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1bcf h MET 86 Cb 0.79 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1bcf h MET 86 CO 0.04 0.10 0.35 -0.07 1.06 0.00 0.00 176.91 178.39 1bcf h LEU 87 N 0.16 0.81 -0.93 1.22 4.07 -1.11 -2.21 115.31 117.32 1bcf h LEU 87 Ca 0.12 -0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 1bcf h LEU 87 Cb 0.11 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1bcf h LEU 87 CO -0.15 0.67 -0.41 0.03 -1.08 0.00 0.00 178.44 177.50 1bcf h ARG 88 N 0.92 0.26 -0.03 1.13 3.08 -1.26 -1.53 114.38 116.95 1bcf h ARG 88 Ca 0.23 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1bcf h ARG 88 Cb 0.04 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1bcf h ARG 88 CO -0.04 0.63 0.01 0.77 -1.07 0.00 0.00 179.97 180.27 1bcf h SER 89 N 0.22 0.05 -0.88 7.04 0.02 -1.01 -1.49 113.55 117.51 1bcf h SER 89 Ca 0.02 -0.26 0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1bcf h SER 89 Cb 0.82 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.26 1bcf h SER 89 CO 0.06 0.30 0.51 0.44 -1.14 0.00 0.00 176.83 177.00 1bcf h ASP 90 N -0.20 0.71 -0.21 3.07 3.32 -1.24 -1.46 116.42 120.41 1bcf h ASP 90 Ca 0.01 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1bcf h ASP 90 Cb 0.27 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1bcf h ASP 90 CO 0.00 0.37 -0.05 0.25 -1.72 0.00 0.00 179.24 178.09 1bcf h LEU 91 N 0.80 0.41 -0.81 1.55 5.85 -1.08 -2.21 115.31 119.82 1bcf h LEU 91 Ca 0.44 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1bcf h LEU 91 Cb 0.48 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1bcf h LEU 91 CO -0.28 0.68 0.53 0.00 -0.34 0.00 0.00 178.44 179.03 1bcf h ALA 92 N 0.74 1.02 -0.25 1.25 0.00 -0.89 -0.73 119.26 120.40 1bcf h ALA 92 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1bcf h ALA 92 Cb 0.51 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1bcf h ALA 92 CO 0.02 0.44 0.10 1.25 0.00 0.00 0.00 179.25 181.06 1bcf h LEU 93 N 1.10 0.34 -1.00 0.00 5.85 -1.25 -1.46 115.31 118.88 1bcf h LEU 93 Ca 0.29 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1bcf h LEU 93 Cb -0.11 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1bcf h LEU 93 CO -0.06 0.42 0.66 -0.33 -0.34 0.00 0.00 178.44 178.79 1bcf h GLU 94 N 0.24 1.27 -0.36 1.25 4.39 -0.88 -1.89 114.58 118.60 1bcf h GLU 94 Ca 0.08 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 1bcf h GLU 94 Cb 0.19 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1bcf h GLU 94 CO -0.01 0.84 0.05 -0.07 -1.16 0.00 0.00 179.01 178.66 1bcf h LEU 95 N 1.30 0.59 -0.40 1.33 4.07 -0.88 -1.50 115.31 119.82 1bcf h LEU 95 Ca 0.39 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1bcf h LEU 95 Cb -0.06 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.50 1bcf h LEU 95 CO -0.11 0.71 0.21 0.44 -1.08 0.00 0.00 178.44 178.62 1bcf h ASP 96 N 0.44 0.50 -0.52 -0.43 3.32 -0.75 -2.58 116.42 116.41 1bcf h ASP 96 Ca 0.11 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1bcf h ASP 96 Cb 0.38 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1bcf h ASP 96 CO 0.01 0.46 0.32 1.23 -1.72 0.00 0.00 179.24 179.53 1bcf h GLY 97 N 0.51 0.75 0.78 2.75 0.00 -1.29 -2.41 103.07 104.17 1bcf h GLY 97 Ca 0.14 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.24 1bcf h GLY 97 CO -0.02 0.30 0.59 0.00 0.00 0.00 0.00 176.54 177.41 1bcf h ALA 98 N 1.16 1.55 -0.69 3.60 0.00 -1.09 -0.66 119.26 123.12 1bcf h ALA 98 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bcf h ALA 98 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1bcf h ALA 98 CO -0.04 0.29 0.43 -0.22 0.00 0.00 0.00 179.25 179.72 1bcf h LYS 99 N 0.99 0.93 -0.37 0.00 3.64 -1.04 -1.47 116.57 119.24 1bcf h LYS 99 Ca 0.41 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.58 1bcf h LYS 99 Cb 0.28 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1bcf h LYS 99 CO -0.16 0.65 -0.27 -0.91 -2.27 0.00 0.00 179.45 176.48 1bcf h ASN 100 N 0.94 0.80 -0.55 4.20 2.35 -0.92 -2.99 115.58 119.41 1bcf h ASN 100 Ca 0.25 -0.31 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1bcf h ASN 100 Cb -0.05 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 1bcf h ASN 100 CO -0.05 1.03 0.33 -0.07 -1.65 0.00 0.00 177.43 177.02 1bcf h LEU 101 N 0.67 0.54 -0.97 1.61 3.38 -0.37 -1.95 115.31 118.21 1bcf h LEU 101 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1bcf h LEU 101 Cb 0.80 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1bcf h LEU 101 CO 0.07 0.38 0.18 0.03 0.09 0.00 0.00 178.44 179.18 1bcf h ARG 102 N 0.66 0.92 -0.26 1.13 3.08 -1.21 -0.07 114.38 118.63 1bcf h ARG 102 Ca 0.22 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1bcf h ARG 102 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1bcf h ARG 102 CO -0.09 0.80 0.08 1.49 -1.07 0.00 0.00 179.97 181.18 1bcf h GLU 103 N 0.89 0.41 -0.52 0.04 4.81 -1.36 -2.59 114.58 116.26 1bcf h GLU 103 Ca 0.20 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1bcf h GLU 103 Cb 0.28 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1bcf h GLU 103 CO -0.01 0.48 -0.09 0.00 -0.73 0.00 0.00 179.01 178.66 1bcf h ALA 104 N 0.91 0.86 -0.50 2.92 0.00 -1.10 -2.90 119.26 119.45 1bcf h ALA 104 Ca 0.09 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1bcf h ALA 104 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1bcf h ALA 104 CO -0.00 0.65 -0.04 0.82 0.00 0.00 0.00 179.25 180.67 1bcf h ILE 105 N 0.85 1.26 -0.51 0.00 2.04 -0.88 -2.31 117.51 117.95 1bcf h ILE 105 Ca 0.14 -1.11 -0.12 0.00 1.00 0.00 0.00 64.86 64.76 1bcf h ILE 105 Cb 0.63 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1bcf h ILE 105 CO 0.04 0.39 -0.16 1.23 0.00 0.00 0.00 178.15 179.66 1bcf h GLY 106 N 0.98 1.09 0.91 5.37 0.00 -1.43 -3.07 103.07 106.93 1bcf h GLY 106 Ca 0.14 -0.92 -0.07 0.00 0.00 0.00 0.00 47.33 46.48 1bcf h GLY 106 CO 0.03 0.84 -0.09 -1.82 0.00 0.00 0.00 176.54 175.50 1bcf h TYR 107 N 0.88 0.70 -0.81 5.60 3.20 -1.39 -2.75 116.97 122.40 1bcf h TYR 107 Ca 0.13 -0.15 0.08 0.00 3.14 0.00 0.00 58.73 61.92 1bcf h TYR 107 Cb 0.73 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 1bcf h TYR 107 CO 0.05 0.80 0.53 0.00 -1.64 0.00 0.00 178.16 177.90 1bcf h ALA 108 N 0.79 1.68 -0.23 1.82 0.00 -1.41 -1.30 119.26 120.61 1bcf h ALA 108 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1bcf h ALA 108 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1bcf h ALA 108 CO 0.03 0.18 0.09 0.22 0.00 0.00 0.00 179.25 179.77 1bcf h ASP 109 N 0.82 0.32 -0.78 0.00 3.58 -1.44 0.28 116.42 119.21 1bcf h ASP 109 Ca 0.36 -0.17 0.12 0.00 0.42 0.00 0.00 57.03 57.76 1bcf h ASP 109 Cb 0.34 -0.08 -0.08 0.00 1.72 0.00 0.00 39.33 41.22 1bcf h ASP 109 CO -0.13 0.41 0.38 0.28 -2.88 0.00 0.00 179.24 177.29 1bcf h SER 110 N 0.22 0.45 0.24 2.28 0.02 -0.97 -0.23 113.55 115.56 1bcf h SER 110 Ca 0.08 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1bcf h SER 110 Cb 0.19 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1bcf h SER 110 CO -0.01 0.22 -0.12 0.55 -1.14 0.00 0.00 176.83 176.34 1bcf n VAL 111 N -4.89 0.00 -1.12 2.27 3.14 -0.67 -4.96 118.33 112.09 1bcf n VAL 111 Ca 0.14 -0.10 -0.04 0.00 -2.96 0.00 0.00 64.34 61.38 1bcf n VAL 111 Cb 0.36 0.08 -0.02 0.00 -1.06 0.00 0.00 33.84 33.21 1bcf n VAL 111 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1bcf n HIS 112 N -0.71 0.00 -2.79 1.45 -0.00 0.46 -4.97 115.22 108.66 1bcf n HIS 112 Ca 0.15 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.44 1bcf n HIS 112 Cb 0.29 -1.15 0.00 0.00 -0.00 0.00 0.00 29.99 29.13 1bcf n HIS 112 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1bcf n ASP 113 N 0.50 5.13 0.17 0.41 -0.08 0.69 -4.79 116.55 118.59 1bcf n ASP 113 Ca -0.04 -2.98 0.03 0.00 -1.51 0.00 0.00 54.79 50.28 1bcf n ASP 113 Cb 0.19 -1.59 0.31 0.00 2.34 0.00 0.00 41.12 42.37 1bcf n ASP 113 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1bcf h TYR 114 N 7.01 0.00 -0.03 -0.67 0.05 -1.93 -2.17 116.97 119.23 1bcf h TYR 114 Ca 0.35 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.95 1bcf h TYR 114 Cb 0.84 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 1bcf h TYR 114 CO 1.18 0.44 -0.80 0.28 -1.05 0.00 0.00 178.16 178.22 1bcf h VAL 115 N 0.00 1.44 -0.25 -2.88 2.07 -1.97 0.17 116.25 114.83 1bcf h VAL 115 Ca -0.00 -2.37 -0.19 0.00 0.82 0.00 0.00 66.70 64.95 1bcf h VAL 115 Cb 0.84 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1bcf h VAL 115 CO 0.06 0.70 -0.60 0.28 0.02 0.00 0.00 177.57 178.02 1bcf h SER 116 N 0.17 0.95 0.88 0.57 0.02 -1.95 -2.30 113.55 111.88 1bcf h SER 116 Ca -0.04 -0.53 -0.05 0.00 -0.84 0.00 0.00 61.79 60.33 1bcf h SER 116 Cb 1.39 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1bcf h SER 116 CO 0.13 1.33 -0.25 0.08 -1.14 0.00 0.00 176.83 176.98 1bcf h ARG 117 N 0.63 0.00 0.07 3.45 -0.00 -1.24 -2.46 114.38 114.83 1bcf h ARG 117 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1bcf h ARG 117 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 1bcf h ARG 117 CO 0.13 0.25 -0.03 0.22 -0.00 0.00 0.00 179.97 180.54 1bcf h ASP 118 N 0.00 -0.08 -0.58 0.08 3.58 -0.46 -2.51 116.42 116.45 1bcf h ASP 118 Ca -0.00 -0.38 0.06 0.00 0.42 0.00 0.00 57.03 57.12 1bcf h ASP 118 Cb 0.76 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.77 1bcf h ASP 118 CO 0.03 0.35 0.30 -0.03 -2.88 0.00 0.00 179.24 177.01 1bcf h MET 119 N -0.52 0.55 -0.64 0.28 4.05 -1.32 -2.74 114.93 114.58 1bcf h MET 119 Ca -0.01 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 1bcf h MET 119 Cb 0.45 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 1bcf h MET 119 CO 0.02 0.36 0.20 0.52 0.23 0.00 0.00 176.91 178.24 1bcf h MET 120 N 0.56 0.97 0.00 0.39 2.86 -1.46 -2.01 114.93 116.25 1bcf h MET 120 Ca 0.26 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1bcf h MET 120 Cb 0.18 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1bcf h MET 120 CO -0.18 0.83 -0.42 0.82 1.06 0.00 0.00 176.91 179.02 1bcf h ILE 121 N 0.94 1.28 -0.05 -1.22 2.04 -1.26 0.10 117.51 119.34 1bcf h ILE 121 Ca 0.21 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 1bcf h ILE 121 Cb 0.26 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1bcf h ILE 121 CO -0.01 0.41 -0.01 -0.33 0.00 0.00 0.00 178.15 178.21 1bcf h GLU 122 N 0.00 0.09 -0.50 2.37 5.08 -1.19 -1.65 114.58 118.79 1bcf h GLU 122 Ca -0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1bcf h GLU 122 Cb 0.75 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1bcf h GLU 122 CO 0.05 0.41 0.13 0.82 -1.00 0.00 0.00 179.01 179.42 1bcf h ILE 123 N -0.23 1.21 -0.26 3.13 2.04 -1.12 -2.72 117.51 119.55 1bcf h ILE 123 Ca 0.01 -0.76 -0.14 0.00 1.00 0.00 0.00 64.86 64.98 1bcf h ILE 123 Cb 0.37 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1bcf h ILE 123 CO 0.00 0.28 -0.40 0.25 0.00 0.00 0.00 178.15 178.29 1bcf h LEU 124 N 0.74 0.65 -1.32 1.44 5.85 -0.71 -1.21 115.31 120.74 1bcf h LEU 124 Ca 0.17 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1bcf h LEU 124 Cb 0.27 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1bcf h LEU 124 CO -0.00 0.98 0.09 -0.09 -0.34 0.00 0.00 178.44 179.07 1bcf h ARG 125 N 0.51 0.55 -0.17 1.25 2.43 -1.06 -1.47 114.38 116.42 1bcf h ARG 125 Ca 0.04 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1bcf h ARG 125 Cb 0.91 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1bcf h ARG 125 CO 0.08 0.51 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.41 1bcf h ASP 126 N 0.54 0.47 -0.40 -3.80 3.32 -1.12 -3.05 116.42 112.37 1bcf h ASP 126 Ca 0.13 -0.50 0.02 0.00 0.02 0.00 0.00 57.03 56.70 1bcf h ASP 126 Cb 0.21 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1bcf h ASP 126 CO -0.00 0.87 0.24 -0.33 -1.72 0.00 0.00 179.24 178.29 1bcf h GLU 127 N 0.07 0.46 0.00 3.56 4.39 -0.91 -1.02 114.58 121.13 1bcf h GLU 127 Ca 0.02 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1bcf h GLU 127 Cb 0.75 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1bcf h GLU 127 CO 0.05 0.31 0.00 0.93 -1.16 0.00 0.00 179.01 179.13 1bcf h GLU 128 N 0.48 0.00 0.10 2.33 5.08 -1.30 0.23 114.58 121.49 1bcf h GLU 128 Ca 0.16 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.22 1bcf h GLU 128 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1bcf h GLU 128 CO -0.08 0.00 -1.52 0.78 -1.00 0.00 0.00 179.01 177.20 1bcf h GLY 129 N 0.13 0.24 1.10 -3.84 0.00 -1.09 -2.50 103.07 97.11 1bcf h GLY 129 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.60 1bcf h GLY 129 CO 0.00 0.54 -0.14 0.45 0.00 0.00 0.00 176.54 177.38 1bcf h HIS 130 N 0.06 1.17 -0.90 5.60 3.86 -0.01 -2.83 115.15 122.09 1bcf h HIS 130 Ca -0.23 -0.26 -0.02 0.00 -1.16 0.00 0.00 60.37 58.70 1bcf h HIS 130 Cb 2.00 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 30.14 1bcf h HIS 130 CO 0.05 1.09 0.50 0.82 0.86 0.00 0.00 177.93 181.25 1bcf h ILE 131 N 0.91 1.26 -0.44 2.45 2.04 -0.88 -2.42 117.51 120.43 1bcf h ILE 131 Ca 0.13 -0.63 -0.08 0.00 1.00 0.00 0.00 64.86 65.28 1bcf h ILE 131 Cb 0.72 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1bcf h ILE 131 CO 0.06 0.29 -0.05 -0.78 0.00 0.00 0.00 178.15 177.66 1bcf h ASP 132 N 1.26 0.80 -0.45 1.72 3.58 -1.34 -2.02 116.42 119.97 1bcf h ASP 132 Ca 0.32 -0.34 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 1bcf h ASP 132 Cb 0.02 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 1bcf h ASP 132 CO -0.05 0.95 0.12 -0.25 -2.88 0.00 0.00 179.24 177.13 1bcf h TRP 133 N 0.64 0.74 -0.31 0.28 7.01 -1.35 -1.58 115.95 121.39 1bcf h TRP 133 Ca 0.12 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 1bcf h TRP 133 Cb 0.57 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1bcf h TRP 133 CO 0.04 0.68 0.10 -0.07 -2.79 0.00 0.00 178.44 176.41 1bcf h LEU 134 N 0.59 0.44 -0.65 0.65 3.38 -1.43 -1.25 115.31 117.05 1bcf h LEU 134 Ca 0.14 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1bcf h LEU 134 Cb 0.30 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1bcf h LEU 134 CO -0.00 0.53 0.40 -0.33 0.09 0.00 0.00 178.44 179.13 1bcf h GLU 135 N 0.34 0.76 -0.47 1.13 5.08 -1.23 -1.21 114.58 118.99 1bcf h GLU 135 Ca 0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1bcf h GLU 135 Cb 0.24 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1bcf h GLU 135 CO -0.00 0.51 0.19 1.15 -1.00 0.00 0.00 179.01 179.85 1bcf h THR 136 N 0.79 1.21 -0.20 1.13 2.02 -1.15 -2.78 112.91 113.92 1bcf h THR 136 Ca 0.26 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1bcf h THR 136 Cb 0.02 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1bcf h THR 136 CO -0.10 0.24 0.11 -0.33 0.37 0.00 0.00 175.52 175.80 1bcf h GLU 137 N 0.61 0.23 0.00 6.66 4.39 -0.72 -2.32 114.58 123.44 1bcf h GLU 137 Ca 0.16 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1bcf h GLU 137 Cb 0.19 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1bcf h GLU 137 CO -0.01 0.15 -0.02 -0.07 -1.16 0.00 0.00 179.01 177.90 1bcf h LEU 138 N 0.24 0.00 0.00 1.33 3.38 -1.14 -2.38 115.31 116.74 1bcf h LEU 138 Ca 0.08 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.82 1bcf h LEU 138 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1bcf h LEU 138 CO -0.04 0.02 -1.08 0.44 0.09 0.00 0.00 178.44 177.86 1bcf h ASP 139 N 0.00 0.23 -0.72 -0.43 3.32 -1.21 -3.13 116.42 114.47 1bcf h ASP 139 Ca -0.00 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 1bcf h ASP 139 Cb 0.03 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1bcf h ASP 139 CO 0.00 1.16 0.22 -0.07 -1.72 0.00 0.00 179.24 178.83 1bcf h LEU 140 N 0.05 1.06 -0.72 1.55 4.07 -0.92 0.51 115.31 120.92 1bcf h LEU 140 Ca -0.07 -0.21 -0.07 0.00 0.08 0.00 0.00 57.88 57.61 1bcf h LEU 140 Cb 1.81 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 43.24 1bcf h LEU 140 CO 0.16 0.99 0.19 0.40 -1.08 0.00 0.00 178.44 179.11 1bcf h ILE 141 N 1.07 1.26 -0.38 1.22 2.04 -1.54 0.99 117.51 122.19 1bcf h ILE 141 Ca 0.23 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 1bcf h ILE 141 Cb 0.32 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1bcf h ILE 141 CO -0.01 0.37 0.07 -0.61 0.00 0.00 0.00 178.15 177.97 1bcf h GLN 142 N 1.08 0.62 0.22 2.37 -0.00 -1.38 -0.49 115.11 117.52 1bcf h GLN 142 Ca 0.23 -0.16 -0.32 0.00 -0.00 0.00 0.00 58.65 58.40 1bcf h GLN 142 Cb 0.35 -0.07 0.04 0.00 0.00 0.00 0.00 27.48 27.79 1bcf h GLN 142 CO -0.00 0.67 -1.39 0.87 0.00 0.00 0.00 178.83 178.98 1bcf h LYS 143 N 0.46 0.55 -0.00 1.69 1.57 0.33 -3.36 116.57 117.81 1bcf h LYS 143 Ca 0.12 -0.89 0.00 0.00 -1.87 0.00 0.00 60.65 58.01 1bcf h LYS 143 Cb 0.34 0.32 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1bcf h LYS 143 CO 0.01 1.42 -0.97 0.00 -0.57 0.00 0.00 179.45 179.34 1bcf n MET 144 N -3.77 0.09 0.00 3.15 0.00 0.32 -5.07 117.12 111.84 1bcf n MET 144 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.48 1bcf n MET 144 Cb 1.06 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.79 1bcf n MET 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1bcf n GLY 145 N 1.49 0.67 0.29 3.17 0.00 -0.19 -4.49 105.19 106.13 1bcf n GLY 145 Ca 0.04 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 1bcf n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bcf h LEU 146 N 0.00 1.02 -0.65 0.99 5.85 -1.91 -2.26 115.31 118.35 1bcf h LEU 146 Ca 0.00 -0.36 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 1bcf h LEU 146 Cb 0.00 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1bcf h LEU 146 CO 0.00 1.16 -0.13 1.56 -0.34 0.00 0.00 178.44 180.69 1bcf h GLN 147 N 0.88 0.93 -0.28 1.25 4.20 -1.94 0.31 115.11 120.45 1bcf h GLN 147 Ca 0.12 -0.34 -0.19 0.00 0.06 0.00 0.00 58.65 58.31 1bcf h GLN 147 Cb 0.74 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1bcf h GLN 147 CO 0.06 0.99 -0.57 -0.91 -0.67 0.00 0.00 178.83 177.73 1bcf h ASN 148 N 0.82 0.98 -0.55 1.46 -0.26 -1.78 -1.34 115.58 114.91 1bcf h ASN 148 Ca 0.13 -0.54 -0.01 0.00 -0.56 0.00 0.00 56.30 55.32 1bcf h ASN 148 Cb 0.66 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.62 1bcf h ASN 148 CO 0.05 1.34 0.30 0.22 -1.06 0.00 0.00 177.43 178.28 1bcf h TYR 149 N 0.66 0.76 -0.40 1.19 3.20 -1.20 -0.88 116.97 120.31 1bcf h TYR 149 Ca 0.01 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1bcf h TYR 149 Cb 1.18 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 1bcf h TYR 149 CO 0.07 0.55 0.08 -0.07 -1.64 0.00 0.00 178.16 177.16 1bcf h LEU 150 N 0.74 0.62 -1.59 2.82 4.07 -0.34 -2.78 115.31 118.85 1bcf h LEU 150 Ca 0.19 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 1bcf h LEU 150 Cb 0.05 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1bcf h LEU 150 CO -0.03 0.71 0.01 -0.61 -1.08 0.00 0.00 178.44 177.43 1bcf h GLN 151 N 0.50 0.26 0.00 1.13 4.15 -1.06 -2.16 115.11 117.94 1bcf h GLN 151 Ca 0.12 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1bcf h GLN 151 Cb 0.34 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1bcf h GLN 151 CO 0.01 0.28 0.00 0.00 -1.93 0.00 0.00 178.83 177.19 1bcf n ALA 152 N -2.50 2.29 0.30 3.38 0.00 -0.35 -3.38 120.51 120.26 1bcf n ALA 152 Ca -0.00 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.36 1bcf n ALA 152 Cb 0.17 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 1bcf n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bcf n GLN 153 N -0.94 3.06 0.00 0.00 1.13 -0.81 -4.71 117.38 115.11 1bcf n GLN 153 Ca 0.14 -0.02 0.05 0.00 -1.94 0.00 0.00 57.00 55.23 1bcf n GLN 153 Cb 0.07 -1.00 0.24 0.00 0.11 0.00 0.00 30.24 29.66 1bcf n GLN 153 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1bcf n ILE 154 N -1.37 0.66 -3.81 5.09 -5.35 -1.22 -0.96 119.36 112.40 1bcf n ILE 154 Ca 0.01 0.17 -0.14 0.00 -0.27 0.00 0.00 62.75 62.52 1bcf n ILE 154 Cb 0.16 -1.01 -0.15 0.00 -1.74 0.00 0.00 39.64 36.90 1bcf n ILE 154 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1bcf s ARG 155 N -2.48 -0.02 0.42 6.28 0.52 -1.26 -4.44 118.95 117.97 1bcf s ARG 155 Ca 0.10 0.12 -0.23 0.00 -0.52 0.00 0.00 55.73 55.20 1bcf s ARG 155 Cb 0.06 -0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.30 1bcf s ARG 155 CO 0.14 -0.10 1.04 -1.83 0.02 0.00 0.00 175.30 174.57 1bcf s GLU 156 N 0.64 4.08 0.00 3.54 1.03 -1.26 -4.11 118.70 122.62 1bcf s GLU 156 Ca -0.05 1.45 0.00 0.00 0.03 0.00 0.00 54.97 56.40 1bcf s GLU 156 Cb -0.08 -2.42 0.00 0.00 -0.80 0.00 0.00 34.13 30.83 1bcf s GLU 156 CO -0.02 -0.20 0.00 -1.91 -1.33 0.00 0.00 175.26 171.80 1bcf n GLU 157 N -0.31 -0.15 0.00 -4.83 0.00 -1.26 -4.95 120.64 109.15 1bcf n GLU 157 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1bcf n GLU 157 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.94 1bcf n GLU 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54