#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pou n LEU 6 N 0.00 0.00 -0.26 -2.67 -0.00 -1.26 -0.94 117.00 111.88 1pou n LEU 6 Ca 0.00 0.40 0.11 0.00 -0.00 0.00 0.00 56.01 56.53 1pou n LEU 6 Cb 0.00 -0.40 0.38 0.00 -0.00 0.00 0.00 43.42 43.39 1pou n LEU 6 CO 0.00 -0.28 1.22 -0.33 -0.00 0.00 0.00 177.39 178.00 1pou h GLU 7 N 0.00 0.67 0.02 1.47 3.07 -2.05 0.26 114.58 118.03 1pou h GLU 7 Ca 0.00 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1pou h GLU 7 Cb 0.13 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 1pou h GLU 7 CO 0.00 0.44 -0.01 0.93 -1.40 0.00 0.00 179.01 178.97 1pou h GLU 8 N 0.69 -0.03 -0.74 2.33 5.08 -1.48 -0.36 114.58 120.08 1pou h GLU 8 Ca 0.43 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.87 1pou h GLU 8 Cb 0.67 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.86 1pou h GLU 8 CO -0.19 0.08 0.41 -0.07 -1.00 0.00 0.00 179.01 178.23 1pou h LEU 9 N -0.13 0.58 0.45 1.33 -0.00 -1.47 0.37 115.31 116.43 1pou h LEU 9 Ca -0.00 0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1pou h LEU 9 Cb 0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1pou h LEU 9 CO 0.01 0.35 -0.22 -0.08 -0.00 0.00 0.00 178.44 178.50 1pou h GLU 10 N 0.71 -0.58 0.15 1.13 4.81 -0.19 0.20 114.58 120.81 1pou h GLU 10 Ca 0.35 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.63 1pou h GLU 10 Cb 0.29 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1pou h GLU 10 CO -0.23 -0.30 -0.35 1.96 -0.73 0.00 0.00 179.01 179.37 1pou h GLN 11 N -0.80 -0.58 -0.25 1.92 4.20 -0.96 0.35 115.11 119.00 1pou h GLN 11 Ca -0.06 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.75 1pou h GLN 11 Cb 0.55 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.39 1pou h GLN 11 CO 0.10 -0.39 -0.29 0.35 -0.67 0.00 0.00 178.83 177.93 1pou h PHE 12 N -0.60 -0.79 0.04 2.96 3.57 -0.86 0.19 116.94 121.44 1pou h PHE 12 Ca 0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1pou h PHE 12 Cb 0.62 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1pou h PHE 12 CO -0.30 -0.36 -0.02 0.00 -2.23 0.00 0.00 178.31 175.40 1pou h ALA 13 N 0.66 -0.05 0.00 2.41 0.00 -0.30 0.14 119.26 122.12 1pou h ALA 13 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1pou h ALA 13 Cb 0.51 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1pou h ALA 13 CO -0.42 -0.51 -0.04 -0.22 0.00 0.00 0.00 179.25 178.06 1pou h LYS 14 N -0.09 0.00 -0.14 0.00 1.63 -0.64 0.11 116.57 117.45 1pou h LYS 14 Ca -0.01 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.71 1pou h LYS 14 Cb 0.07 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1pou h LYS 14 CO 0.01 0.04 -0.23 1.15 -3.45 0.00 0.00 179.45 176.97 1pou h THR 15 N 0.00 1.36 -0.68 1.00 2.02 0.51 -0.36 112.91 116.76 1pou h THR 15 Ca -0.00 -1.47 0.08 0.00 0.77 0.00 0.00 66.41 65.80 1pou h THR 15 Cb 0.09 1.97 -0.07 0.00 -1.74 0.00 0.00 68.15 68.40 1pou h THR 15 CO 0.01 0.43 0.34 0.15 0.37 0.00 0.00 175.52 176.82 1pou h PHE 16 N 0.02 0.60 0.13 3.16 3.04 0.30 0.12 116.94 124.31 1pou h PHE 16 Ca 0.01 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.00 1pou h PHE 16 Cb 0.80 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.12 1pou h PHE 16 CO 0.10 0.23 -0.24 -0.22 -2.02 0.00 0.00 178.31 176.16 1pou h LYS 17 N 0.59 -0.43 -0.52 1.11 3.64 -0.70 0.31 116.57 120.57 1pou h LYS 17 Ca 0.33 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.81 1pou h LYS 17 Cb 0.33 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 1pou h LYS 17 CO -0.25 -0.29 0.20 1.96 -2.27 0.00 0.00 179.45 178.79 1pou h GLN 18 N -0.45 0.37 -0.28 1.90 4.20 -0.29 0.12 115.11 120.67 1pou h GLN 18 Ca 0.02 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1pou h GLN 18 Cb 0.46 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 1pou h GLN 18 CO -0.13 0.24 -0.11 0.00 -0.67 0.00 0.00 178.83 178.17 1pou h ARG 19 N 0.38 -0.06 -0.43 1.46 2.47 -0.48 0.30 114.38 118.03 1pou h ARG 19 Ca 0.25 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 59.05 1pou h ARG 19 Cb 0.27 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.54 1pou h ARG 19 CO -0.25 -0.04 0.07 0.00 0.56 0.00 0.00 179.97 180.31 1pou h ARG 20 N -0.06 0.19 0.15 0.04 3.08 0.39 0.11 114.38 118.28 1pou h ARG 20 Ca 0.14 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1pou h ARG 20 Cb 0.28 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1pou h ARG 20 CO -0.33 0.13 -0.28 0.82 -1.07 0.00 0.00 179.97 179.24 1pou h ILE 21 N 0.20 0.40 -0.71 2.04 1.08 -0.10 0.38 117.51 120.80 1pou h ILE 21 Ca 0.21 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.76 1pou h ILE 21 Cb 0.27 0.40 -0.07 0.00 -3.07 0.00 0.00 36.82 34.35 1pou h ILE 21 CO -0.29 0.00 0.37 0.11 -0.69 0.00 0.00 178.15 177.65 1pou h LYS 22 N -0.51 0.63 0.00 2.37 6.56 -0.53 -1.05 116.57 124.04 1pou h LYS 22 Ca 0.02 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1pou h LYS 22 Cb 0.52 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1pou h LYS 22 CO -0.14 0.42 0.00 1.28 -2.06 0.00 0.00 179.45 178.95 1pou n LEU 23 N -4.82 0.68 -2.00 2.94 4.77 0.33 -4.92 117.00 113.98 1pou n LEU 23 Ca 0.10 0.60 -0.14 0.00 -0.03 0.00 0.00 56.01 56.54 1pou n LEU 23 Cb 0.23 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1pou n LEU 23 CO 0.27 -0.31 -0.01 0.61 -1.33 0.00 0.00 177.39 176.62 1pou n GLY 24 N 0.81 -0.10 3.44 -0.72 0.00 0.11 -4.95 105.19 103.77 1pou n GLY 24 Ca 0.04 -0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 1pou n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pou s PHE 25 N -2.93 3.07 0.08 1.61 0.40 0.38 -4.94 117.98 115.64 1pou s PHE 25 Ca 0.19 -1.27 0.00 0.00 -0.60 0.00 0.00 56.93 55.25 1pou s PHE 25 Cb -0.08 -4.24 -0.00 0.00 0.51 0.00 0.00 43.02 39.20 1pou s PHE 25 CO 0.23 -1.48 0.01 -2.37 0.70 0.00 0.00 175.22 172.31 1pou n THR 26 N 5.49 0.00 0.00 0.64 5.66 -1.26 -4.74 114.28 120.07 1pou n THR 26 Ca 0.17 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1pou n THR 26 Cb 0.48 0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 -0.18 0.00 -1.81 1.09 1.13 -1.26 -1.17 117.38 115.17 1pou n GLN 27 Ca -0.02 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.03 1pou n GLN 27 Cb 0.10 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.49 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 -0.01 0.34 1.08 0.00 -1.26 -3.77 105.19 101.57 1pou n GLY 28 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 0.31 -0.79 -0.50 1.61 1.82 -1.45 0.20 116.42 117.62 1pou h ASP 29 Ca -0.15 0.06 0.10 0.00 -0.39 0.00 0.00 57.03 56.65 1pou h ASP 29 Cb 1.08 0.25 -0.09 0.00 0.68 0.00 0.00 39.33 41.25 1pou h ASP 29 CO -0.06 -0.45 -0.09 0.58 -1.61 0.00 0.00 179.24 177.60 1pou h VAL 30 N -0.69 0.52 -0.72 2.25 2.07 -1.84 -1.69 116.25 116.16 1pou h VAL 30 Ca -0.03 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.63 1pou h VAL 30 Cb 0.60 0.49 -0.11 0.00 -1.52 0.00 0.00 31.29 30.75 1pou h VAL 30 CO -0.01 0.01 0.13 1.23 0.02 0.00 0.00 177.57 178.95 1pou h GLY 31 N 0.03 0.95 0.84 2.17 0.00 -1.09 0.20 103.07 106.16 1pou h GLY 31 Ca 0.25 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 1pou h GLY 31 CO -0.49 -0.21 -0.04 -2.00 0.00 0.00 0.00 176.54 173.80 1pou h LEU 32 N 0.22 -0.09 0.24 3.11 5.85 0.24 0.42 115.31 125.31 1pou h LEU 32 Ca 0.40 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1pou h LEU 32 Cb 0.69 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1pou h LEU 32 CO -0.53 0.10 -0.11 0.00 -0.34 0.00 0.00 178.44 177.55 1pou h ALA 33 N 0.64 -0.32 -0.95 1.25 0.00 -0.78 -0.37 119.26 118.73 1pou h ALA 33 Ca -0.01 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 54.99 1pou h ALA 33 Cb 0.23 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1pou h ALA 33 CO 0.02 -0.65 0.60 0.52 0.00 0.00 0.00 179.25 179.74 1pou h MET 34 N -0.36 0.66 -0.03 0.00 2.86 -0.65 0.73 114.93 118.14 1pou h MET 34 Ca -0.03 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1pou h MET 34 Cb 0.28 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.73 1pou h MET 34 CO 0.05 0.44 -0.53 0.78 1.06 0.00 0.00 176.91 178.71 1pou h GLY 35 N 0.68 -1.10 1.05 8.32 0.00 0.12 0.76 103.07 112.90 1pou h GLY 35 Ca 0.51 0.66 -0.04 0.00 0.00 0.00 0.00 47.33 48.46 1pou h GLY 35 CO -0.27 -0.23 0.36 0.50 0.00 0.00 0.00 176.54 176.90 1pou h LYS 36 N -0.65 1.21 0.00 4.80 1.79 -0.32 -3.15 116.57 120.24 1pou h LYS 36 Ca 0.02 -0.20 -0.10 0.00 -2.18 0.00 0.00 60.65 58.19 1pou h LYS 36 Cb 0.72 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 1pou h LYS 36 CO -0.37 0.95 -0.82 1.25 -1.08 0.00 0.00 179.45 179.38 1pou h LEU 37 N 1.19 0.00 0.00 2.94 5.85 -0.42 -3.45 115.31 121.41 1pou h LEU 37 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1pou h LEU 37 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1pou h LEU 37 CO -0.03 0.39 0.00 -1.22 -0.34 0.00 0.00 178.44 177.24 1pou n TYR 38 N -3.02 -2.34 0.00 1.25 4.02 0.23 -5.03 117.16 112.28 1pou n TYR 38 Ca -0.02 0.49 0.00 0.00 -0.01 0.00 0.00 57.90 58.37 1pou n TYR 38 Cb 0.72 1.33 0.00 0.00 -0.02 0.00 0.00 39.34 41.37 1pou n TYR 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pou n GLY 39 N 0.16 1.63 2.44 2.72 0.00 0.76 -4.94 105.19 107.96 1pou n GLY 39 Ca 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1pou n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pou n ASN 40 N 0.00 7.54 -1.16 1.61 5.15 -1.26 -3.30 115.26 123.84 1pou n ASN 40 Ca 0.00 -2.72 0.00 0.00 -0.60 0.00 0.00 54.58 51.26 1pou n ASN 40 Cb 0.00 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 37.70 1pou n ASN 40 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1pou n ASP 41 N 3.87 0.00 -3.62 1.20 2.03 -1.26 -4.84 116.55 113.93 1pou n ASP 41 Ca 0.70 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.77 1pou n ASP 41 Cb 0.27 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.75 1pou n ASP 41 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1pou n PHE 42 N 0.00 -2.82 -0.79 -0.67 3.72 -1.26 -4.21 117.46 111.43 1pou n PHE 42 Ca 0.00 1.01 -0.10 0.00 -0.05 0.00 0.00 57.45 58.30 1pou n PHE 42 Cb 0.00 -4.96 -0.13 0.00 -0.94 0.00 0.00 39.48 33.45 1pou n PHE 42 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pou n SER 43 N -3.01 4.19 0.00 4.37 3.41 -1.26 -2.67 113.62 118.65 1pou n SER 43 Ca -0.00 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 1pou n SER 43 Cb 0.56 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1pou n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pou n GLN 44 N 2.67 0.00 0.00 4.33 6.02 -1.25 -4.79 117.38 124.37 1pou n GLN 44 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1pou n GLN 44 Cb 0.69 -0.25 0.00 0.00 1.02 0.00 0.00 30.24 31.70 1pou n GLN 44 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1pou n THR 45 N 0.00 0.00 -0.23 5.09 -1.04 -1.26 0.20 114.28 117.04 1pou n THR 45 Ca 0.00 1.48 -0.08 0.00 -2.04 0.00 0.00 64.05 63.40 1pou n THR 45 Cb 0.00 -2.03 0.03 0.00 -1.82 0.00 0.00 70.33 66.51 1pou n THR 45 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1pou h THR 46 N 0.00 1.26 -0.91 12.58 1.35 -1.91 -0.57 112.91 124.71 1pou h THR 46 Ca 0.00 -1.05 0.12 0.00 -0.55 0.00 0.00 66.41 64.92 1pou h THR 46 Cb 0.00 0.70 -0.08 0.00 -1.73 0.00 0.00 68.15 67.04 1pou h THR 46 CO 0.00 0.39 0.54 0.40 -0.25 0.00 0.00 175.52 176.60 1pou h ILE 47 N 0.98 0.88 -0.08 6.82 1.08 -1.82 0.30 117.51 125.68 1pou h ILE 47 Ca 0.19 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1pou h ILE 47 Cb 0.46 -0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.16 1pou h ILE 47 CO 0.02 0.16 -0.04 0.28 -0.69 0.00 0.00 178.15 177.87 1pou h SER 48 N 0.86 0.17 -0.44 1.72 0.02 0.59 0.56 113.55 117.02 1pou h SER 48 Ca 0.46 -0.43 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1pou h SER 48 Cb 0.48 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1pou h SER 48 CO -0.28 0.56 0.30 0.03 -1.14 0.00 0.00 176.83 176.30 1pou h ARG 49 N -0.22 0.46 0.14 3.45 3.08 -0.52 0.33 114.38 121.10 1pou h ARG 49 Ca 0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1pou h ARG 49 Cb 0.50 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1pou h ARG 49 CO 0.01 0.30 -0.07 0.35 -1.07 0.00 0.00 179.97 179.50 1pou h PHE 50 N 0.47 -0.17 0.00 3.04 3.57 -0.33 0.21 116.94 123.73 1pou h PHE 50 Ca 0.18 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1pou h PHE 50 Cb 0.14 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1pou h PHE 50 CO -0.00 0.21 -0.01 0.93 -2.23 0.00 0.00 178.31 177.21 1pou h GLU 51 N -0.59 0.00 -0.01 1.11 5.08 -0.21 0.28 114.58 120.24 1pou h GLU 51 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1pou h GLU 51 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1pou h GLU 51 CO 0.03 0.01 -0.32 0.00 -1.00 0.00 0.00 179.01 177.74 1pou n ALA 52 N -2.25 3.19 -3.83 3.43 0.00 0.11 -4.77 120.51 116.39 1pou n ALA 52 Ca -0.03 -0.39 -0.28 0.00 0.00 0.00 0.00 53.44 52.75 1pou n ALA 52 Cb 0.10 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.88 -2.79 -0.27 0.00 4.32 0.99 -4.91 117.00 113.46 1pou n LEU 53 Ca 0.10 -0.73 0.10 0.00 -0.02 0.00 0.00 56.01 55.47 1pou n LEU 53 Cb 0.34 -2.67 -0.06 0.00 -1.62 0.00 0.00 43.42 39.41 1pou n LEU 53 CO 0.28 0.50 0.14 -0.46 -1.22 0.00 0.00 177.39 176.63 1pou n ASN 54 N -2.90 1.54 -2.24 -1.43 6.94 -0.18 -4.62 115.26 112.38 1pou n ASN 54 Ca -0.00 -1.27 -0.18 0.00 -0.02 0.00 0.00 54.58 53.10 1pou n ASN 54 Cb 0.55 0.72 -0.13 0.00 -2.36 0.00 0.00 39.78 38.56 1pou n ASN 54 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1pou n LEU 55 N -0.70 5.82 -2.73 -4.53 4.77 -1.26 -4.79 117.00 113.59 1pou n LEU 55 Ca 0.07 -3.55 -0.07 0.00 -0.03 0.00 0.00 56.01 52.43 1pou n LEU 55 Cb 0.40 -1.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.12 1pou n LEU 55 CO 0.35 1.73 -0.04 -1.20 -1.33 0.00 0.00 177.39 176.89 1pou n SER 56 N 1.98 -1.75 0.00 -1.43 7.64 -1.26 -2.83 113.62 115.98 1pou n SER 56 Ca 0.47 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1pou n SER 56 Cb 0.76 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 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 -2.88 0.00 -0.35 1.43 7.35 -1.26 -4.68 117.46 117.06 1pou n PHE 57 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1pou n PHE 57 Cb 0.52 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.40 1pou n PHE 57 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1pou n LYS 58 N 0.00 -0.19 -0.04 -4.13 2.85 -1.21 -0.75 118.16 114.68 1pou n LYS 58 Ca 0.00 1.42 -0.14 0.00 -1.05 0.00 0.00 58.31 58.54 1pou n LYS 58 Cb 0.00 -2.11 -0.12 0.00 -0.65 0.00 0.00 35.03 32.15 1pou n LYS 58 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 1pou h ASN 59 N 0.00 0.09 -0.72 -5.58 -0.00 -1.80 -3.35 115.58 104.23 1pou h ASN 59 Ca 0.34 -0.79 0.16 0.00 -0.00 0.00 0.00 56.30 56.01 1pou h ASN 59 Cb 0.57 -0.03 -0.12 0.00 -0.00 0.00 0.00 38.32 38.74 1pou h ASN 59 CO -0.92 0.87 0.06 0.24 -0.00 0.00 0.00 177.43 177.67 1pou h MET 60 N -0.68 0.14 -0.49 6.67 2.86 -1.31 0.21 114.93 122.34 1pou h MET 60 Ca -0.01 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1pou h MET 60 Cb 0.88 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 1pou h MET 60 CO 0.02 0.10 0.32 0.00 1.06 0.00 0.00 176.91 178.41 1pou h LYS 62 N 0.57 0.24 -0.72 0.00 1.79 -1.24 -3.36 116.57 113.86 1pou h LYS 62 Ca 0.19 -0.41 -0.04 0.00 -2.18 0.00 0.00 60.65 58.21 1pou h LYS 62 Cb 0.06 0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 1pou h LYS 62 CO -0.05 1.09 0.29 1.25 -1.08 0.00 0.00 179.45 180.95 1pou h LEU 63 N 0.07 0.98 0.19 2.94 5.85 0.03 -1.89 115.31 123.47 1pou h LEU 63 Ca -0.27 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1pou h LEU 63 Cb 2.02 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.78 1pou h LEU 63 CO 0.15 0.87 -0.31 0.50 -0.34 0.00 0.00 178.44 179.30 1pou h LYS 64 N 1.04 -0.51 -0.93 1.25 3.64 -0.96 0.10 116.57 120.21 1pou h LYS 64 Ca 0.24 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.70 1pou h LYS 64 Cb 0.19 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 1pou h LYS 64 CO -0.02 -0.34 0.61 -1.00 -2.27 0.00 0.00 179.45 176.42 1pou h PRO 65 N -0.53 1.11 -0.17 1.90 0.13 -1.74 0.17 132.00 132.87 1pou h PRO 65 Ca -0.02 -0.07 0.05 0.00 -0.87 0.00 0.00 66.00 65.09 1pou h PRO 65 Cb 0.49 -0.25 -0.06 0.00 0.13 0.00 0.00 31.00 31.31 1pou h PRO 65 CO -0.11 0.73 -0.20 1.25 -0.23 0.00 0.00 178.00 179.45 1pou h LEU 66 N 1.14 -0.62 -0.64 1.56 6.46 -1.05 0.13 115.31 122.28 1pou h LEU 66 Ca 0.37 0.11 -0.13 0.00 -0.12 0.00 0.00 57.88 58.11 1pou h LEU 66 Cb 0.05 0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1pou h LEU 66 CO -0.12 -0.24 -0.38 -0.07 -0.62 0.00 0.00 178.44 177.00 1pou h LEU 67 N -0.23 0.66 -0.14 2.25 3.38 -0.36 -0.68 115.31 120.19 1pou h LEU 67 Ca 0.11 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1pou h LEU 67 Cb 0.40 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1pou h LEU 67 CO -0.30 0.98 -0.01 -0.08 0.09 0.00 0.00 178.44 179.11 1pou h GLU 68 N 0.52 0.03 -0.60 1.13 4.22 -0.25 0.20 114.58 119.83 1pou h GLU 68 Ca 0.05 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.44 1pou h GLU 68 Cb 0.90 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1pou h GLU 68 CO 0.08 0.02 0.21 0.87 -2.18 0.00 0.00 179.01 178.00 1pou h LYS 69 N 0.03 0.92 -0.55 1.92 1.57 -0.63 0.83 116.57 120.67 1pou h LYS 69 Ca 0.07 -0.19 0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1pou h LYS 69 Cb 0.09 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.19 1pou h LYS 69 CO -0.13 0.81 0.12 2.35 -0.57 0.00 0.00 179.45 182.03 1pou h TRP 70 N 0.84 0.20 0.11 -1.35 7.01 -0.79 0.10 115.95 122.07 1pou h TRP 70 Ca 0.20 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 1pou h TRP 70 Cb 0.26 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 1pou h TRP 70 CO 0.02 -0.01 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.54 1pou h LEU 71 N 0.26 -0.12 -0.44 0.65 3.38 0.42 0.83 115.31 120.29 1pou h LEU 71 Ca 0.28 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.26 1pou h LEU 71 Cb 0.39 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1pou h LEU 71 CO -0.36 -0.02 0.11 -1.13 0.09 0.00 0.00 178.44 177.14 1pou h ASN 72 N -0.22 0.06 0.24 -0.43 -0.00 -0.60 0.13 115.58 114.76 1pou h ASN 72 Ca -0.01 0.07 -0.01 0.00 -0.00 0.00 0.00 56.30 56.35 1pou h ASN 72 Cb 0.17 0.08 -0.00 0.00 -0.00 0.00 0.00 38.32 38.57 1pou h ASN 72 CO 0.02 0.06 -0.15 -0.78 -0.00 0.00 0.00 177.43 176.59 1pou h ASP 73 N 0.25 -0.38 -0.33 1.15 3.58 -0.42 -2.87 116.42 117.40 1pou h ASP 73 Ca 0.21 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.74 1pou h ASP 73 Cb 0.25 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.37 1pou h ASP 73 CO -0.26 -0.24 0.04 0.00 -2.88 0.00 0.00 179.24 175.90 1pou h ALA 74 N 0.37 0.33 0.00 -0.78 0.00 -0.55 -3.51 119.26 115.13 1pou h ALA 74 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pou h ALA 74 Cb 0.32 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pou h ALA 74 CO 0.02 -0.37 0.00 0.39 0.00 0.00 0.00 179.25 179.29