#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pou h LEU 6 N 0.00 -0.72 -1.36 -2.67 4.07 -2.00 0.16 115.31 112.79 1pou h LEU 6 Ca 0.00 0.29 0.15 0.00 0.08 0.00 0.00 57.88 58.40 1pou h LEU 6 Cb 0.00 0.56 -0.07 0.00 1.08 0.00 0.00 40.66 42.23 1pou h LEU 6 CO 0.00 -0.34 0.56 -0.33 -1.08 0.00 0.00 178.44 177.25 1pou h GLU 7 N 0.00 0.60 0.02 1.13 4.39 -2.06 0.10 114.58 118.77 1pou h GLU 7 Ca 0.54 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 60.17 1pou h GLU 7 Cb 0.98 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1pou h GLU 7 CO -0.98 0.40 -0.13 0.93 -1.16 0.00 0.00 179.01 178.07 1pou h GLU 8 N 0.62 0.05 -0.48 2.33 3.07 -1.21 -3.36 114.58 115.60 1pou h GLU 8 Ca 0.43 -0.08 0.09 0.00 -0.50 0.00 0.00 59.36 59.31 1pou h GLU 8 Cb 0.77 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.63 1pou h GLU 8 CO -0.19 1.03 -0.02 -0.07 -1.40 0.00 0.00 179.01 178.37 1pou h LEU 9 N -0.89 -0.24 0.45 1.33 3.38 -0.14 0.58 115.31 119.77 1pou h LEU 9 Ca -0.02 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1pou h LEU 9 Cb 1.10 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1pou h LEU 9 CO 0.02 -0.08 -0.37 1.05 0.09 0.00 0.00 178.44 179.15 1pou h GLU 10 N 0.09 -0.77 -0.66 1.13 4.11 -1.02 0.18 114.58 117.64 1pou h GLU 10 Ca 0.24 0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.74 1pou h GLU 10 Cb 0.36 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1pou h GLU 10 CO -0.42 -0.51 0.42 -0.56 0.07 0.00 0.00 179.01 178.01 1pou h GLN 11 N -0.80 0.81 -0.01 1.06 3.07 -1.68 0.23 115.11 117.80 1pou h GLN 11 Ca -0.06 -0.05 0.03 0.00 0.09 0.00 0.00 58.65 58.66 1pou h GLN 11 Cb 0.67 -0.18 -0.03 0.00 0.08 0.00 0.00 27.48 28.02 1pou h GLN 11 CO -0.01 0.53 -0.16 0.35 0.09 0.00 0.00 178.83 179.64 1pou h PHE 12 N 0.83 -0.41 0.16 0.06 3.57 -0.74 0.12 116.94 120.53 1pou h PHE 12 Ca 0.26 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1pou h PHE 12 Cb -0.02 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1pou h PHE 12 CO -0.04 -0.23 -0.13 0.00 -2.23 0.00 0.00 178.31 175.68 1pou h ALA 13 N 0.68 -0.27 -0.48 2.41 0.00 -0.17 0.19 119.26 121.62 1pou h ALA 13 Ca 0.05 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1pou h ALA 13 Cb 0.33 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1pou h ALA 13 CO -0.16 -0.67 -0.02 -0.22 0.00 0.00 0.00 179.25 178.18 1pou h LYS 14 N -0.30 0.09 -0.36 0.00 3.11 -0.82 0.64 116.57 118.93 1pou h LYS 14 Ca -0.01 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1pou h LYS 14 Cb 0.27 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.46 1pou h LYS 14 CO -0.01 0.06 0.18 1.15 -2.81 0.00 0.00 179.45 178.01 1pou h THR 15 N 0.09 1.16 -0.56 1.00 2.02 -0.27 -0.34 112.91 116.02 1pou h THR 15 Ca 0.24 -0.46 0.08 0.00 0.77 0.00 0.00 66.41 67.04 1pou h THR 15 Cb 0.37 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 1pou h THR 15 CO -0.42 0.17 0.22 0.15 0.37 0.00 0.00 175.52 176.01 1pou h PHE 16 N 0.45 0.39 -0.45 3.16 3.57 0.07 0.69 116.94 124.81 1pou h PHE 16 Ca 0.12 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1pou h PHE 16 Cb 0.11 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1pou h PHE 16 CO -0.02 0.13 0.24 -0.22 -2.23 0.00 0.00 178.31 176.21 1pou h LYS 17 N 0.41 0.46 -0.35 1.11 3.64 -0.40 0.13 116.57 121.57 1pou h LYS 17 Ca 0.27 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1pou h LYS 17 Cb 0.29 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1pou h LYS 17 CO -0.26 0.30 0.21 1.96 -2.27 0.00 0.00 179.45 179.39 1pou h GLN 18 N 0.47 0.41 -0.39 1.90 1.08 0.26 0.89 115.11 119.73 1pou h GLN 18 Ca 0.19 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1pou h GLN 18 Cb 0.08 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1pou h GLN 18 CO -0.13 0.27 0.23 0.00 -0.95 0.00 0.00 178.83 178.25 1pou h ARG 19 N 0.42 0.45 -0.46 1.46 2.47 -0.59 0.11 114.38 118.24 1pou h ARG 19 Ca 0.14 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.90 1pou h ARG 19 Cb 0.00 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.17 1pou h ARG 19 CO -0.06 0.30 0.14 -0.09 0.56 0.00 0.00 179.97 180.81 1pou h ARG 20 N 0.46 0.29 -0.32 0.04 2.43 -0.26 0.11 114.38 117.13 1pou h ARG 20 Ca 0.16 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1pou h ARG 20 Cb 0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1pou h ARG 20 CO -0.08 0.19 0.20 0.82 -1.51 0.00 0.00 179.97 179.59 1pou h ILE 21 N 0.30 1.05 -0.83 1.20 2.04 -0.39 0.26 117.51 121.14 1pou h ILE 21 Ca 0.22 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1pou h ILE 21 Cb 0.25 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1pou h ILE 21 CO -0.25 0.07 0.52 0.50 0.00 0.00 0.00 178.15 178.99 1pou h LYS 22 N 0.41 0.94 0.00 2.37 1.63 0.16 0.21 116.57 122.29 1pou h LYS 22 Ca 0.12 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1pou h LYS 22 Cb -0.02 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.40 1pou h LYS 22 CO -0.05 0.62 0.00 -0.07 -3.45 0.00 0.00 179.45 176.51 1pou h LEU 23 N 0.97 0.00 0.84 5.20 3.38 -0.51 -3.46 115.31 121.73 1pou h LEU 23 Ca 0.35 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.10 1pou h LEU 23 Cb 0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.87 1pou h LEU 23 CO -0.15 0.00 -0.31 0.61 0.09 0.00 0.00 178.44 178.68 1pou n GLY 24 N -0.32 -0.02 3.41 0.83 0.00 0.73 -4.94 105.19 104.88 1pou n GLY 24 Ca 0.01 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 1pou n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pou n PHE 25 N -3.96 4.92 -3.49 1.61 3.01 -0.01 -4.95 117.46 114.59 1pou n PHE 25 Ca -0.09 -3.44 -0.19 0.00 1.01 0.00 0.00 57.45 54.73 1pou n PHE 25 Cb 0.58 -2.07 0.02 0.00 -0.01 0.00 0.00 39.48 38.00 1pou n PHE 25 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1pou n THR 26 N 4.11 0.00 0.00 4.37 5.66 -1.26 -4.44 114.28 122.72 1pou n THR 26 Ca 0.34 -1.72 0.00 0.00 -3.05 0.00 0.00 64.05 59.62 1pou n THR 26 Cb 0.41 -0.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 1pou n THR 26 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pou n GLN 27 N -1.77 0.00 -2.03 1.09 1.13 -1.26 -0.84 117.38 113.70 1pou n GLN 27 Ca 0.05 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.09 1pou n GLN 27 Cb 0.51 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.92 1pou n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pou n GLY 28 N 0.00 0.62 0.05 1.08 0.00 -1.26 -4.24 105.19 101.44 1pou n GLY 28 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1pou n GLY 28 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1pou h ASP 29 N 0.50 -0.00 -0.44 1.61 1.82 -1.20 0.24 116.42 118.95 1pou h ASP 29 Ca -0.25 0.01 0.09 0.00 -0.39 0.00 0.00 57.03 56.48 1pou h ASP 29 Cb 1.15 0.01 -0.09 0.00 0.68 0.00 0.00 39.33 41.09 1pou h ASP 29 CO -0.11 0.01 -0.13 0.58 -1.61 0.00 0.00 179.24 177.98 1pou h VAL 30 N 0.03 0.52 -0.72 2.25 2.07 -1.84 -0.22 116.25 118.33 1pou h VAL 30 Ca 0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.67 1pou h VAL 30 Cb 0.02 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.21 1pou h VAL 30 CO -0.03 0.00 0.28 1.23 0.02 0.00 0.00 177.57 179.07 1pou h GLY 31 N -0.03 1.07 0.78 2.17 0.00 -1.11 0.16 103.07 106.10 1pou h GLY 31 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1pou h GLY 31 CO -0.47 -0.09 -0.08 -2.00 0.00 0.00 0.00 176.54 173.91 1pou h LEU 32 N 0.43 -0.19 0.44 3.11 5.85 0.23 0.35 115.31 125.52 1pou h LEU 32 Ca 0.39 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1pou h LEU 32 Cb 0.57 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1pou h LEU 32 CO -0.39 0.06 -0.39 0.00 -0.34 0.00 0.00 178.44 177.38 1pou h ALA 33 N 0.35 -0.87 -0.88 1.25 0.00 -0.51 0.51 119.26 119.11 1pou h ALA 33 Ca -0.02 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.92 1pou h ALA 33 Cb 0.35 0.54 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 1pou h ALA 33 CO 0.04 -1.03 0.43 1.98 0.00 0.00 0.00 179.25 180.67 1pou h MET 34 N -0.83 0.51 -0.67 0.00 1.85 -0.77 0.83 114.93 115.86 1pou h MET 34 Ca -0.04 -0.03 0.11 0.00 -0.61 0.00 0.00 59.70 59.13 1pou h MET 34 Cb 0.73 -0.12 -0.12 0.00 0.43 0.00 0.00 31.60 32.52 1pou h MET 34 CO -0.04 0.34 -0.35 0.78 -0.40 0.00 0.00 176.91 177.24 1pou h GLY 35 N 0.53 -0.10 0.68 1.39 0.00 0.10 0.42 103.07 106.10 1pou h GLY 35 Ca 0.51 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 48.29 1pou h GLY 35 CO -0.44 -0.20 -0.01 0.50 0.00 0.00 0.00 176.54 176.39 1pou h LYS 36 N -0.13 0.10 0.15 4.80 1.57 0.59 -3.24 116.57 120.39 1pou h LYS 36 Ca 0.25 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1pou h LYS 36 Cb 0.56 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1pou h LYS 36 CO -0.74 0.43 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.42 1pou h LEU 37 N -0.24 -0.17 0.00 2.94 3.38 -0.43 -3.44 115.31 117.36 1pou h LEU 37 Ca 0.01 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1pou h LEU 37 Cb 0.39 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1pou h LEU 37 CO 0.00 0.36 -0.38 -1.22 0.09 0.00 0.00 178.44 177.30 1pou n TYR 38 N -4.93 0.00 0.00 1.13 4.01 0.11 -5.07 117.16 112.42 1pou n TYR 38 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1pou n TYR 38 Cb 0.27 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1pou n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pou n GLY 39 N 3.06 2.39 2.47 2.72 0.00 0.72 -4.97 105.19 111.56 1pou n GLY 39 Ca -0.04 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 1pou n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pou n ASN 40 N 0.00 6.95 -4.85 1.61 6.94 -1.26 -2.88 115.26 121.77 1pou n ASN 40 Ca 0.00 -2.50 -0.25 0.00 -0.02 0.00 0.00 54.58 51.81 1pou n ASN 40 Cb 0.00 -1.39 -0.03 0.00 -2.36 0.00 0.00 39.78 36.00 1pou n ASN 40 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1pou s ASP 41 N 2.76 4.67 -0.91 0.53 2.15 -1.26 -4.80 116.67 119.80 1pou s ASP 41 Ca 0.58 -1.09 -0.06 0.00 0.43 0.00 0.00 52.55 52.40 1pou s ASP 41 Cb 0.15 -0.05 0.01 0.00 -0.30 0.00 0.00 42.92 42.73 1pou s ASP 41 CO -0.05 -0.85 0.78 0.49 -0.17 0.00 0.00 175.17 175.38 1pou n PHE 42 N -1.57 -1.91 -0.92 -5.34 3.01 -1.26 -4.44 117.46 105.02 1pou n PHE 42 Ca -0.01 0.67 -0.24 0.00 1.01 0.00 0.00 57.45 58.88 1pou n PHE 42 Cb 0.64 -3.69 -0.05 0.00 -0.01 0.00 0.00 39.48 36.38 1pou n PHE 42 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pou n SER 43 N -1.50 5.91 0.00 4.37 3.41 -1.26 -3.09 113.62 121.46 1pou n SER 43 Ca 0.00 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 1pou n SER 43 Cb 0.54 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1pou n SER 43 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1pou n GLN 44 N 3.64 0.00 0.00 4.33 -0.06 -1.26 -4.65 117.38 119.37 1pou n GLN 44 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.52 1pou n GLN 44 Cb 0.29 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.47 1pou n GLN 44 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1pou n THR 45 N 0.00 0.00 0.08 1.69 -2.24 -1.26 -0.71 114.28 111.84 1pou n THR 45 Ca 0.00 1.46 0.03 0.00 -2.27 0.00 0.00 64.05 63.27 1pou n THR 45 Cb 0.00 -2.00 0.40 0.00 -2.10 0.00 0.00 70.33 66.63 1pou n THR 45 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1pou h THR 46 N 0.00 1.15 0.35 4.28 2.02 -1.86 0.99 112.91 119.84 1pou h THR 46 Ca 0.00 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 1pou h THR 46 Cb 0.00 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1pou h THR 46 CO 0.00 0.20 -0.17 0.40 0.37 0.00 0.00 175.52 176.32 1pou h ILE 47 N 0.34 0.66 -0.42 3.11 1.08 -1.78 0.15 117.51 120.65 1pou h ILE 47 Ca 0.08 -0.05 0.07 0.00 -0.39 0.00 0.00 64.86 64.57 1pou h ILE 47 Cb 0.24 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.61 1pou h ILE 47 CO 0.01 0.01 0.04 0.28 -0.69 0.00 0.00 178.15 177.80 1pou h SER 48 N -0.50 -0.09 -0.77 1.72 0.02 0.39 -0.42 113.55 113.90 1pou h SER 48 Ca -0.05 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1pou h SER 48 Cb 0.38 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 1pou h SER 48 CO 0.08 -0.01 0.45 0.03 -1.14 0.00 0.00 176.83 176.24 1pou h ARG 49 N 0.16 0.80 0.40 3.45 3.08 -0.72 0.38 114.38 121.91 1pou h ARG 49 Ca 0.21 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1pou h ARG 49 Cb 0.28 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1pou h ARG 49 CO -0.31 0.53 -0.29 0.35 -1.07 0.00 0.00 179.97 179.18 1pou h PHE 50 N 0.82 -0.76 -0.87 3.04 3.57 0.82 0.18 116.94 123.74 1pou h PHE 50 Ca 0.34 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.91 1pou h PHE 50 Cb 0.20 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 1pou h PHE 50 CO -0.06 -0.43 0.56 0.93 -2.23 0.00 0.00 178.31 177.09 1pou h GLU 51 N -0.68 0.91 0.00 1.11 3.07 -0.90 0.11 114.58 118.21 1pou h GLU 51 Ca -0.04 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1pou h GLU 51 Cb 0.58 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1pou h GLU 51 CO 0.01 0.61 0.00 0.00 -1.40 0.00 0.00 179.01 178.22 1pou n ALA 52 N -2.41 2.42 -2.54 3.43 0.00 0.10 -4.89 120.51 116.63 1pou n ALA 52 Ca 0.13 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1pou n ALA 52 Cb 0.23 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.26 1pou n ALA 52 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pou n LEU 53 N -1.07 -1.17 -1.46 0.00 4.32 0.39 -4.85 117.00 113.16 1pou n LEU 53 Ca 0.18 0.15 -0.06 0.00 -0.02 0.00 0.00 56.01 56.25 1pou n LEU 53 Cb 0.11 -2.12 0.02 0.00 -1.62 0.00 0.00 43.42 39.82 1pou n LEU 53 CO 0.16 -0.09 0.88 -3.20 -1.22 0.00 0.00 177.39 173.92 1pou n ASN 54 N -1.85 4.54 -0.48 -1.43 5.15 0.37 -2.84 115.26 118.72 1pou n ASN 54 Ca -0.13 -2.50 0.00 0.00 -0.60 0.00 0.00 54.58 51.35 1pou n ASN 54 Cb 0.60 -0.85 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 1pou n ASN 54 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1pou n LEU 55 N 0.62 0.02 -3.82 1.20 4.77 -1.26 -4.95 117.00 113.57 1pou n LEU 55 Ca 0.12 -0.98 -0.20 0.00 -0.03 0.00 0.00 56.01 54.92 1pou n LEU 55 Cb 0.63 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.72 1pou n LEU 55 CO 0.14 0.24 -0.08 -1.20 -1.33 0.00 0.00 177.39 175.17 1pou n SER 56 N -0.01 -1.79 0.00 -1.43 7.64 -1.13 -3.62 113.62 113.28 1pou n SER 56 Ca 0.00 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1pou n SER 56 Cb 0.69 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1pou n SER 56 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1pou n PHE 57 N -2.63 0.00 -0.35 1.43 7.35 -1.26 -4.65 117.46 117.35 1pou n PHE 57 Ca -0.06 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.58 1pou n PHE 57 Cb 0.25 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.07 1pou n PHE 57 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 1pou h LYS 58 N 0.00 -0.05 0.00 -4.13 2.10 -2.01 0.12 116.57 112.59 1pou h LYS 58 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1pou h LYS 58 Cb 0.00 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1pou h LYS 58 CO 0.00 -0.03 -0.04 -0.97 -2.00 0.00 0.00 179.45 176.41 1pou h ASN 59 N -0.05 0.03 -0.88 7.07 -0.73 -1.83 -3.37 115.58 115.82 1pou h ASN 59 Ca 0.26 -0.83 0.24 0.00 1.87 0.00 0.00 56.30 57.84 1pou h ASN 59 Cb 0.54 -0.01 -0.14 0.00 0.27 0.00 0.00 38.32 38.98 1pou h ASN 59 CO -0.90 0.86 0.21 0.24 -0.37 0.00 0.00 177.43 177.46 1pou h MET 60 N -0.80 0.18 -0.58 6.67 2.86 -1.37 0.29 114.93 122.17 1pou h MET 60 Ca -0.00 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1pou h MET 60 Cb 0.86 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1pou h MET 60 CO 0.01 0.12 0.39 0.00 1.06 0.00 0.00 176.91 178.48 1pou h LYS 62 N 0.77 0.34 -0.32 0.00 1.57 -0.74 -3.36 116.57 114.83 1pou h LYS 62 Ca 0.22 -0.55 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 1pou h LYS 62 Cb -0.06 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1pou h LYS 62 CO -0.05 1.25 0.04 1.37 -0.57 0.00 0.00 179.45 181.49 1pou h LEU 63 N 0.11 0.51 -0.41 2.94 8.10 0.04 -3.26 115.31 123.33 1pou h LEU 63 Ca -0.15 -0.27 0.04 0.00 0.11 0.00 0.00 57.88 57.62 1pou h LEU 63 Cb 1.95 -0.14 -0.07 0.00 -0.44 0.00 0.00 40.66 41.97 1pou h LEU 63 CO 0.21 0.65 -0.44 0.50 -4.11 0.00 0.00 178.44 175.25 1pou h LYS 64 N 0.35 -0.24 -0.45 0.17 3.64 -0.83 -1.01 116.57 118.20 1pou h LYS 64 Ca 0.10 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1pou h LYS 64 Cb 0.36 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1pou h LYS 64 CO 0.01 -0.16 0.28 -1.00 -2.27 0.00 0.00 179.45 176.31 1pou h PRO 65 N -0.25 0.60 -0.15 1.90 0.13 -1.75 0.16 132.00 132.64 1pou h PRO 65 Ca 0.07 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1pou h PRO 65 Cb 0.43 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 1pou h PRO 65 CO -0.52 0.41 0.08 -0.07 -0.23 0.00 0.00 178.00 177.67 1pou h LEU 66 N 0.61 0.19 -0.84 1.56 4.07 -1.38 0.61 115.31 120.13 1pou h LEU 66 Ca 0.16 -0.11 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 1pou h LEU 66 Cb -0.04 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 1pou h LEU 66 CO -0.03 0.25 0.16 -0.07 -1.08 0.00 0.00 178.44 177.66 1pou h LEU 67 N 0.13 0.96 0.11 1.67 3.38 -0.41 0.25 115.31 121.40 1pou h LEU 67 Ca 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1pou h LEU 67 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1pou h LEU 67 CO -0.01 0.93 -0.09 -0.08 0.09 0.00 0.00 178.44 179.28 1pou h GLU 68 N 0.97 -0.20 -0.86 1.13 4.81 -0.27 0.31 114.58 120.47 1pou h GLU 68 Ca 0.21 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1pou h GLU 68 Cb 0.34 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1pou h GLU 68 CO 0.00 -0.14 0.51 -0.22 -0.73 0.00 0.00 179.01 178.44 1pou h LYS 69 N -0.21 1.17 -0.60 1.92 1.63 -0.73 -0.35 116.57 119.40 1pou h LYS 69 Ca -0.00 -0.11 0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1pou h LYS 69 Cb 0.19 -0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 31.53 1pou h LYS 69 CO -0.01 0.83 0.32 2.35 -3.45 0.00 0.00 179.45 179.48 1pou h TRP 70 N 1.19 0.59 -0.27 1.91 7.01 0.14 0.69 115.95 127.20 1pou h TRP 70 Ca 0.31 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.33 1pou h TRP 70 Cb -0.04 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 1pou h TRP 70 CO 0.01 0.28 0.18 1.25 -2.79 0.00 0.00 178.44 177.37 1pou h LEU 71 N 0.60 0.31 -0.47 0.65 6.46 0.74 0.27 115.31 123.87 1pou h LEU 71 Ca 0.26 -0.01 0.06 0.00 -0.12 0.00 0.00 57.88 58.07 1pou h LEU 71 Cb 0.16 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 39.96 1pou h LEU 71 CO -0.17 0.23 0.18 -1.13 -0.62 0.00 0.00 178.44 176.93 1pou h ASN 72 N 0.37 0.21 0.08 1.25 -0.00 -0.66 -3.16 115.58 113.65 1pou h ASN 72 Ca 0.10 0.05 -0.00 0.00 -0.00 0.00 0.00 56.30 56.44 1pou h ASN 72 Cb -0.04 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.31 1pou h ASN 72 CO -0.02 0.15 -0.04 -0.78 -0.00 0.00 0.00 177.43 176.74 1pou h ASP 73 N 0.37 -0.09 -7.03 1.15 3.58 -0.32 -3.48 116.42 110.60 1pou h ASP 73 Ca 0.22 -0.32 -0.61 0.00 0.42 0.00 0.00 57.03 56.74 1pou h ASP 73 Cb 0.21 0.02 -0.21 0.00 1.72 0.00 0.00 39.33 41.07 1pou h ASP 73 CO -0.21 0.28 -0.95 0.00 -2.88 0.00 0.00 179.24 175.48 1pou n ALA 74 N -2.33 -1.91 0.00 -0.78 0.00 0.89 -5.09 120.51 111.28 1pou n ALA 74 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1pou n ALA 74 Cb 0.21 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1pou n ALA 74 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59