#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 0.63 -0.86 -2.67 4.07 -2.04 0.18 115.31 114.61 1pou h LEU 6 Ca 0.00 0.09 0.15 0.00 0.08 0.00 0.00 57.88 58.20 1pou h LEU 6 Cb 0.00 -0.01 -0.10 0.00 1.08 0.00 0.00 40.66 41.63 1pou h LEU 6 CO 0.00 0.25 0.45 -0.33 -1.08 0.00 0.00 178.44 177.72 1pou h GLU 7 N 0.68 0.61 -0.06 1.13 5.08 -2.05 0.96 114.58 120.92 1pou h GLU 7 Ca 0.51 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.60 1pou h GLU 7 Cb 0.74 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1pou h GLU 7 CO -0.37 0.40 -0.87 0.93 -1.00 0.00 0.00 179.01 178.10 1pou h GLU 8 N 0.63 0.60 -0.38 2.33 4.39 -1.21 -3.10 114.58 117.84 1pou h GLU 8 Ca 0.47 -0.56 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1pou h GLU 8 Cb 0.67 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 1pou h GLU 8 CO -0.37 1.18 0.24 1.37 -1.16 0.00 0.00 179.01 180.27 1pou h LEU 9 N 0.38 0.40 0.75 1.33 8.10 0.51 0.17 115.31 126.95 1pou h LEU 9 Ca -0.07 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.88 1pou h LEU 9 Cb 1.50 -0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 41.63 1pou h LEU 9 CO 0.17 0.29 -0.42 1.05 -4.11 0.00 0.00 178.44 175.41 1pou h GLU 10 N 0.49 -1.05 -0.55 0.17 4.11 -0.94 0.15 114.58 116.96 1pou h GLU 10 Ca 0.15 0.07 0.10 0.00 0.07 0.00 0.00 59.36 59.74 1pou h GLU 10 Cb -0.03 0.24 -0.11 0.00 0.50 0.00 0.00 28.75 29.35 1pou h GLU 10 CO -0.05 -0.70 -0.34 1.96 0.07 0.00 0.00 179.01 179.95 1pou h GLN 11 N -1.09 -0.18 -0.34 1.06 4.20 -1.48 -0.11 115.11 117.17 1pou h GLN 11 Ca -0.10 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.69 1pou h GLN 11 Cb 0.87 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.62 1pou h GLN 11 CO 0.12 -0.12 -0.08 0.35 -0.67 0.00 0.00 178.83 178.43 1pou h PHE 12 N -0.19 -0.17 0.19 2.96 3.57 -0.46 0.15 116.94 122.99 1pou h PHE 12 Ca 0.21 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1pou h PHE 12 Cb 0.55 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1pou h PHE 12 CO -0.62 -0.14 -0.21 0.00 -2.23 0.00 0.00 178.31 175.10 1pou h ALA 13 N 1.34 -0.42 -0.75 2.41 0.00 0.47 0.25 119.26 122.57 1pou h ALA 13 Ca 0.16 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1pou h ALA 13 Cb 0.25 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1pou h ALA 13 CO -0.35 -0.76 0.44 0.87 0.00 0.00 0.00 179.25 179.45 1pou h LYS 14 N -0.45 0.78 -0.19 0.00 1.79 -0.76 -1.20 116.57 116.55 1pou h LYS 14 Ca 0.00 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1pou h LYS 14 Cb 0.43 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1pou h LYS 14 CO -0.06 0.52 0.11 1.15 -1.08 0.00 0.00 179.45 180.09 1pou h THR 15 N 0.81 1.08 -0.47 -0.16 2.02 -0.25 -1.79 112.91 114.16 1pou h THR 15 Ca 0.33 -0.21 0.07 0.00 0.77 0.00 0.00 66.41 67.37 1pou h THR 15 Cb 0.18 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 1pou h THR 15 CO -0.18 0.08 0.12 0.15 0.37 0.00 0.00 175.52 176.07 1pou h PHE 16 N 0.22 0.21 -0.36 3.16 3.57 0.20 0.13 116.94 124.06 1pou h PHE 16 Ca 0.07 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.63 1pou h PHE 16 Cb 0.03 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1pou h PHE 16 CO -0.05 0.04 0.15 -0.22 -2.23 0.00 0.00 178.31 176.00 1pou h LYS 17 N 0.27 0.31 -0.60 1.11 3.64 -1.04 0.17 116.57 120.42 1pou h LYS 17 Ca 0.23 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1pou h LYS 17 Cb 0.27 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1pou h LYS 17 CO -0.27 0.20 0.32 1.96 -2.27 0.00 0.00 179.45 179.39 1pou h GLN 18 N 0.32 0.58 -0.40 1.90 4.20 -0.32 0.58 115.11 121.96 1pou h GLN 18 Ca 0.16 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1pou h GLN 18 Cb 0.11 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1pou h GLN 18 CO -0.14 0.39 0.25 0.00 -0.67 0.00 0.00 178.83 178.66 1pou h ARG 19 N 0.60 0.50 -0.49 1.46 2.47 -0.21 0.84 114.38 119.55 1pou h ARG 19 Ca 0.27 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 59.03 1pou h ARG 19 Cb 0.17 -0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.32 1pou h ARG 19 CO -0.18 0.33 0.15 -0.09 0.56 0.00 0.00 179.97 180.74 1pou h ARG 20 N 0.52 0.29 0.01 0.04 2.43 0.13 0.14 114.38 117.94 1pou h ARG 20 Ca 0.15 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1pou h ARG 20 Cb -0.03 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1pou h ARG 20 CO -0.05 0.19 -0.01 0.82 -1.51 0.00 0.00 179.97 179.42 1pou h ILE 21 N 0.30 1.03 -0.53 1.20 2.04 -0.62 -0.06 117.51 120.88 1pou h ILE 21 Ca 0.24 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 66.05 1pou h ILE 21 Cb 0.28 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 37.42 1pou h ILE 21 CO -0.27 0.04 0.09 0.50 0.00 0.00 0.00 178.15 178.51 1pou h LYS 22 N -0.08 0.22 0.00 2.37 3.11 -0.10 0.16 116.57 122.24 1pou h LYS 22 Ca -0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1pou h LYS 22 Cb 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 1pou h LYS 22 CO 0.00 0.14 0.00 1.28 -2.81 0.00 0.00 179.45 178.07 1pou n LEU 23 N -5.14 0.41 -2.02 5.20 4.77 0.41 -4.87 117.00 115.76 1pou n LEU 23 Ca 0.07 0.62 -0.15 0.00 -0.03 0.00 0.00 56.01 56.51 1pou n LEU 23 Cb 0.27 -0.59 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1pou n LEU 23 CO 0.19 -0.53 -0.05 0.61 -1.33 0.00 0.00 177.39 176.27 1pou n GLY 24 N -0.35 -0.17 3.43 -0.72 0.00 0.55 -4.93 105.19 102.99 1pou n GLY 24 Ca 0.02 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.91 3.65 0.32 1.61 0.40 -0.09 -4.95 117.98 116.00 1pou s PHE 25 Ca 0.16 -2.16 0.03 0.00 -0.60 0.00 0.00 56.93 54.35 1pou s PHE 25 Cb -0.07 -4.17 0.03 0.00 0.51 0.00 0.00 43.02 39.31 1pou s PHE 25 CO 0.19 -1.28 0.23 -2.37 0.70 0.00 0.00 175.22 172.69 1pou n THR 26 N 4.25 0.00 0.00 0.64 5.66 -1.26 -4.52 114.28 119.05 1pou n THR 26 Ca 0.31 -1.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.03 1pou n THR 26 Cb 0.43 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 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 -1.24 0.00 -1.78 1.09 1.13 -1.26 -0.83 117.38 114.49 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 0.37 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.76 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 0.26 0.13 1.08 0.00 -1.26 -4.43 105.19 100.97 1pou n GLY 28 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 0.36 -0.25 -0.63 1.61 1.82 -1.22 0.18 116.42 118.29 1pou h ASP 29 Ca -0.20 0.04 0.12 0.00 -0.39 0.00 0.00 57.03 56.59 1pou h ASP 29 Cb 1.09 0.10 -0.09 0.00 0.68 0.00 0.00 39.33 41.11 1pou h ASP 29 CO -0.09 -0.13 0.15 0.58 -1.61 0.00 0.00 179.24 178.14 1pou h VAL 30 N -0.16 0.62 -0.55 2.25 2.07 -1.84 -0.40 116.25 118.24 1pou h VAL 30 Ca 0.03 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1pou h VAL 30 Cb 0.19 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 1pou h VAL 30 CO -0.08 0.05 0.24 1.23 0.02 0.00 0.00 177.57 179.03 1pou h GLY 31 N 0.28 0.77 0.85 2.17 0.00 -0.86 0.26 103.07 106.53 1pou h GLY 31 Ca 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1pou h GLY 31 CO -0.42 0.04 -0.07 -2.00 0.00 0.00 0.00 176.54 174.10 1pou h LEU 32 N 0.44 -0.16 -0.46 3.11 5.85 0.12 0.24 115.31 124.46 1pou h LEU 32 Ca 0.26 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1pou h LEU 32 Cb 0.26 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1pou h LEU 32 CO -0.23 0.02 0.24 0.00 -0.34 0.00 0.00 178.44 178.13 1pou h ALA 33 N 0.50 0.58 -0.82 1.25 0.00 -0.79 0.32 119.26 120.30 1pou h ALA 33 Ca -0.02 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1pou h ALA 33 Cb 0.27 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1pou h ALA 33 CO 0.03 -0.10 0.50 0.52 0.00 0.00 0.00 179.25 180.20 1pou h MET 34 N 0.48 0.88 -0.57 0.00 2.86 -0.41 -0.02 114.93 118.14 1pou h MET 34 Ca 0.19 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.87 1pou h MET 34 Cb 0.08 -0.20 -0.10 0.00 0.06 0.00 0.00 31.60 31.44 1pou h MET 34 CO -0.12 0.58 -0.45 0.78 1.06 0.00 0.00 176.91 178.76 1pou h GLY 35 N 0.91 -0.52 0.97 8.32 0.00 0.12 0.47 103.07 113.34 1pou h GLY 35 Ca 0.36 0.58 -0.01 0.00 0.00 0.00 0.00 47.33 48.26 1pou h GLY 35 CO -0.17 -0.15 -0.05 0.50 0.00 0.00 0.00 176.54 176.66 1pou h LYS 36 N -0.24 -0.14 0.00 4.80 6.56 -0.12 -3.23 116.57 124.21 1pou h LYS 36 Ca 0.17 0.01 -0.12 0.00 -1.06 0.00 0.00 60.65 59.65 1pou h LYS 36 Cb 0.56 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.24 1pou h LYS 36 CO -0.69 -0.07 -0.66 -0.07 -2.06 0.00 0.00 179.45 175.91 1pou h LEU 37 N -0.18 0.00 0.00 2.94 3.38 -0.60 -3.44 115.31 117.41 1pou h LEU 37 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pou h LEU 37 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1pou h LEU 37 CO 0.02 0.52 0.00 -1.22 0.09 0.00 0.00 178.44 177.86 1pou n TYR 38 N -3.17 -2.22 0.00 1.13 4.02 0.13 -5.07 117.16 111.99 1pou n TYR 38 Ca 0.00 0.47 0.00 0.00 -0.01 0.00 0.00 57.90 58.36 1pou n TYR 38 Cb 0.75 0.99 0.00 0.00 -0.02 0.00 0.00 39.34 41.06 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 1.00 1.86 2.25 2.72 0.00 0.77 -4.94 105.19 108.86 1pou n GLY 39 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.38 1.61 5.15 -1.26 -2.83 115.26 122.08 1pou n ASN 40 Ca 0.00 -2.65 -0.15 0.00 -0.60 0.00 0.00 54.58 51.19 1pou n ASN 40 Cb 0.00 -1.48 0.09 0.00 -0.53 0.00 0.00 39.78 37.86 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 2.89 0.57 -2.29 1.20 2.03 -1.26 -4.76 116.55 114.94 1pou n ASP 41 Ca 0.65 -1.55 -0.14 0.00 0.52 0.00 0.00 54.79 54.27 1pou n ASP 41 Cb 0.45 -0.45 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 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 -2.51 -1.65 -0.81 -0.67 3.72 -1.26 -4.29 117.46 110.00 1pou n PHE 42 Ca 0.10 0.58 -0.14 0.00 -0.05 0.00 0.00 57.45 57.94 1pou n PHE 42 Cb 0.35 -3.34 -0.10 0.00 -0.94 0.00 0.00 39.48 35.44 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 -1.14 4.58 0.00 4.37 3.41 -1.26 -2.59 113.62 120.99 1pou n SER 43 Ca -0.00 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1pou n SER 43 Cb 0.54 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 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 2.95 0.00 -0.03 4.33 6.02 -1.26 -4.67 117.38 124.72 1pou n GLN 44 Ca 0.39 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.36 1pou n GLN 44 Cb 0.56 -0.19 -0.02 0.00 1.02 0.00 0.00 30.24 31.61 1pou n GLN 44 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1pou h THR 45 N 0.00 0.00 -0.60 5.09 1.35 -1.93 0.21 112.91 117.03 1pou h THR 45 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.89 1pou h THR 45 Cb 0.00 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.39 1pou h THR 45 CO 0.00 0.00 0.40 0.74 -0.25 0.00 0.00 175.52 176.41 1pou h THR 46 N -0.04 1.10 -0.24 6.82 2.02 -1.88 0.74 112.91 121.42 1pou h THR 46 Ca 0.01 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1pou h THR 46 Cb 0.08 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1pou h THR 46 CO -0.11 0.13 0.06 0.40 0.37 0.00 0.00 175.52 176.38 1pou h ILE 47 N 0.73 1.21 -0.54 3.11 1.08 -1.78 0.99 117.51 122.30 1pou h ILE 47 Ca 0.23 -0.67 0.06 0.00 -0.39 0.00 0.00 64.86 64.09 1pou h ILE 47 Cb 0.04 1.18 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 1pou h ILE 47 CO -0.06 0.21 0.26 0.28 -0.69 0.00 0.00 178.15 178.15 1pou h SER 48 N 0.22 0.36 -0.88 1.72 0.02 0.94 0.14 113.55 116.07 1pou h SER 48 Ca 0.08 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1pou h SER 48 Cb 0.27 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 1pou h SER 48 CO -0.00 0.24 0.55 0.03 -1.14 0.00 0.00 176.83 176.51 1pou h ARG 49 N 0.50 0.97 0.16 3.45 3.08 -0.63 0.18 114.38 122.08 1pou h ARG 49 Ca 0.25 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1pou h ARG 49 Cb 0.19 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1pou h ARG 49 CO -0.19 0.64 -0.15 0.35 -1.07 0.00 0.00 179.97 179.55 1pou h PHE 50 N 0.99 -0.38 0.00 3.04 3.57 0.64 0.55 116.94 125.35 1pou h PHE 50 Ca 0.39 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.85 1pou h PHE 50 Cb 0.18 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1pou h PHE 50 CO -0.03 -0.22 -0.16 0.93 -2.23 0.00 0.00 178.31 176.60 1pou h GLU 51 N -0.33 0.00 0.00 1.11 3.07 -0.58 0.23 114.58 118.08 1pou h GLU 51 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pou h GLU 51 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1pou h GLU 51 CO -0.03 0.16 0.00 0.00 -1.40 0.00 0.00 179.01 177.74 1pou n ALA 52 N -2.39 2.19 -4.02 3.43 0.00 0.60 -4.89 120.51 115.42 1pou n ALA 52 Ca -0.02 -0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.01 1pou n ALA 52 Cb 0.25 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.41 -2.24 0.13 0.00 4.32 0.79 -4.90 117.00 113.69 1pou n LEU 53 Ca 0.08 -0.90 -0.21 0.00 -0.02 0.00 0.00 56.01 54.96 1pou n LEU 53 Cb 0.25 -2.35 -0.15 0.00 -1.62 0.00 0.00 43.42 39.55 1pou n LEU 53 CO 0.21 0.40 -0.15 -1.13 -1.22 0.00 0.00 177.39 175.50 1pou h ASN 54 N -1.83 0.70 -0.05 -1.43 -0.73 -1.18 -3.40 115.58 107.67 1pou h ASN 54 Ca -0.59 -0.74 -0.49 0.00 1.87 0.00 0.00 56.30 56.35 1pou h ASN 54 Cb 1.38 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.72 1pou h ASN 54 CO 0.70 1.58 2.19 0.18 -0.37 0.00 0.00 177.43 181.70 1pou n LEU 55 N -3.66 7.41 -3.05 0.34 4.77 -1.26 -4.81 117.00 116.74 1pou n LEU 55 Ca -0.14 -3.94 -0.03 0.00 -0.03 0.00 0.00 56.01 51.88 1pou n LEU 55 Cb 1.07 -1.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1pou n LEU 55 CO 0.58 1.93 -0.03 -1.20 -1.33 0.00 0.00 177.39 177.34 1pou n SER 56 N 3.08 -0.07 0.00 -1.43 7.64 -1.26 -3.42 113.62 118.16 1pou n SER 56 Ca 0.65 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1pou n SER 56 Cb 0.49 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 -1.30 0.00 -0.36 1.43 7.35 -1.26 -4.60 117.46 118.72 1pou n PHE 57 Ca -0.02 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1pou n PHE 57 Cb 0.06 0.00 0.06 0.00 0.35 0.00 0.00 39.48 39.95 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 0.13 -4.13 2.85 -1.24 -0.45 118.16 115.12 1pou n LYS 58 Ca 0.00 1.46 -0.09 0.00 -1.05 0.00 0.00 58.31 58.64 1pou n LYS 58 Cb 0.00 -2.18 -0.05 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 -0.34 -0.90 -5.58 -0.73 -1.81 -3.36 115.58 102.86 1pou h ASN 59 Ca 0.36 -0.11 0.25 0.00 1.87 0.00 0.00 56.30 58.67 1pou h ASN 59 Cb 0.60 0.09 -0.15 0.00 0.27 0.00 0.00 38.32 39.12 1pou h ASN 59 CO -0.95 0.14 0.20 0.24 -0.37 0.00 0.00 177.43 176.69 1pou h MET 60 N -1.04 0.14 -0.12 6.67 2.86 -1.35 0.24 114.93 122.34 1pou h MET 60 Ca -0.04 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1pou h MET 60 Cb 0.43 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1pou h MET 60 CO 0.07 0.09 -0.15 0.00 1.06 0.00 0.00 176.91 177.98 1pou h LYS 62 N 0.18 0.38 -0.89 0.00 3.64 -0.87 -3.37 116.57 115.64 1pou h LYS 62 Ca 0.04 -0.66 0.05 0.00 -1.27 0.00 0.00 60.65 58.81 1pou h LYS 62 Cb 0.38 0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 1pou h LYS 62 CO 0.02 1.29 0.57 1.25 -2.27 0.00 0.00 179.45 180.31 1pou h LEU 63 N 0.10 0.92 0.02 5.20 5.85 0.14 -0.36 115.31 127.18 1pou h LEU 63 Ca -0.25 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1pou h LEU 63 Cb 2.08 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 1pou h LEU 63 CO 0.21 0.60 -0.09 0.50 -0.34 0.00 0.00 178.44 179.33 1pou h LYS 64 N 1.06 -0.12 -0.81 1.25 3.64 -1.22 0.91 116.57 121.28 1pou h LYS 64 Ca 0.37 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.81 1pou h LYS 64 Cb 0.10 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1pou h LYS 64 CO -0.15 -0.08 0.53 -1.00 -2.27 0.00 0.00 179.45 176.48 1pou h PRO 65 N -0.13 0.93 -0.04 1.90 0.13 -1.73 0.77 132.00 133.84 1pou h PRO 65 Ca -0.00 -0.06 0.04 0.00 -0.87 0.00 0.00 66.00 65.11 1pou h PRO 65 Cb 0.13 -0.21 -0.05 0.00 0.13 0.00 0.00 31.00 31.00 1pou h PRO 65 CO -0.05 0.62 -0.26 1.25 -0.23 0.00 0.00 178.00 179.33 1pou h LEU 66 N 0.96 -0.78 -0.67 1.56 6.46 -0.83 0.13 115.31 122.14 1pou h LEU 66 Ca 0.33 0.11 -0.11 0.00 -0.12 0.00 0.00 57.88 58.09 1pou h LEU 66 Cb 0.11 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1pou h LEU 66 CO -0.11 -0.32 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.12 1pou h LEU 67 N -0.38 0.83 -0.15 2.25 3.38 -0.39 -0.14 115.31 120.72 1pou h LEU 67 Ca 0.07 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1pou h LEU 67 Cb 0.48 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1pou h LEU 67 CO -0.25 1.01 -0.03 -0.08 0.09 0.00 0.00 178.44 179.18 1pou h GLU 68 N 0.72 0.00 -0.44 1.13 4.81 -0.40 0.17 114.58 120.56 1pou h GLU 68 Ca 0.10 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1pou h GLU 68 Cb 0.72 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1pou h GLU 68 CO 0.06 0.00 -0.02 0.87 -0.73 0.00 0.00 179.01 179.19 1pou h LYS 69 N 0.00 0.80 -0.50 1.92 1.57 -0.65 0.49 116.57 120.20 1pou h LYS 69 Ca 0.07 -0.26 0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1pou h LYS 69 Cb 0.11 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.26 1pou h LYS 69 CO -0.15 0.87 -0.08 2.35 -0.57 0.00 0.00 179.45 181.87 1pou h TRP 70 N 0.64 -0.18 0.06 -1.35 7.01 -0.69 0.78 115.95 122.22 1pou h TRP 70 Ca 0.12 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1pou h TRP 70 Cb 0.52 0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.74 1pou h TRP 70 CO 0.04 -0.18 -0.03 1.25 -2.79 0.00 0.00 178.44 176.73 1pou h LEU 71 N 0.04 -0.07 -1.03 0.65 6.46 -0.27 0.14 115.31 121.23 1pou h LEU 71 Ca 0.25 -0.15 0.16 0.00 -0.12 0.00 0.00 57.88 58.02 1pou h LEU 71 Cb 0.38 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 40.23 1pou h LEU 71 CO -0.48 0.11 0.62 -1.13 -0.62 0.00 0.00 178.44 176.94 1pou h ASN 72 N -0.24 0.82 0.10 1.25 -0.00 -0.43 0.12 115.58 117.21 1pou h ASN 72 Ca -0.01 0.08 -0.00 0.00 -0.00 0.00 0.00 56.30 56.36 1pou h ASN 72 Cb 0.21 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 1pou h ASN 72 CO 0.01 0.36 -0.05 -0.78 -0.00 0.00 0.00 177.43 176.97 1pou h ASP 73 N 0.84 -0.11 -0.54 1.15 1.82 -0.53 -3.37 116.42 115.68 1pou h ASP 73 Ca 0.54 -0.44 -0.06 0.00 -0.39 0.00 0.00 57.03 56.68 1pou h ASP 73 Cb 0.75 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.77 1pou h ASP 73 CO -0.33 0.44 0.11 0.00 -1.61 0.00 0.00 179.24 177.85 1pou h ALA 74 N 0.03 0.71 0.00 -0.78 0.00 0.05 -3.51 119.26 115.76 1pou h ALA 74 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pou h ALA 74 Cb 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pou h ALA 74 CO 0.02 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.09