#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opv n GLN 6 N 0.00 2.05 -1.02 1.61 6.02 -1.26 -4.72 117.38 120.07 2opv n GLN 6 Ca 0.00 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 53.93 2opv n GLN 6 Cb 0.00 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.47 2opv n GLN 6 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2opv n PHE 7 N -1.00 0.00 0.00 1.08 7.35 -1.26 -3.83 117.46 119.80 2opv n PHE 7 Ca 0.29 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 2opv n PHE 7 Cb 0.96 -1.47 0.00 0.00 0.35 0.00 0.00 39.48 39.32 2opv n PHE 7 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 2opv n HIS 8 N 0.36 0.00 -1.70 -5.13 -0.00 -1.26 -2.38 115.22 105.11 2opv n HIS 8 Ca 0.00 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.96 2opv n HIS 8 Cb 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 29.99 29.95 2opv n HIS 8 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2opv n ASP 9 N 2.08 5.03 0.00 0.26 8.00 -1.26 -4.96 116.55 125.70 2opv n ASP 9 Ca 0.00 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.73 2opv n ASP 9 Cb 0.00 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 2opv n ASP 9 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2opv n ASN 10 N -0.87 0.00 -4.32 -2.24 4.13 -1.00 -4.72 115.26 106.23 2opv n ASN 10 Ca 0.46 0.00 -0.45 0.00 1.68 0.00 0.00 54.58 56.27 2opv n ASN 10 Cb 0.91 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 39.13 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2opv s ALA 11 N 0.00 4.45 0.60 5.41 0.00 -1.26 -4.56 121.76 126.40 2opv s ALA 11 Ca 0.00 -3.63 -0.18 0.00 0.00 0.00 0.00 51.96 48.15 2opv s ALA 11 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2opv s ALA 11 CO 0.00 -2.23 1.14 0.54 0.00 0.00 0.00 175.76 175.21 2opv s ASN 12 N 1.59 5.35 -0.62 0.00 2.20 -1.25 -4.89 114.94 117.31 2opv s ASN 12 Ca 0.25 2.16 -0.07 0.00 -0.94 0.00 0.00 52.86 54.26 2opv s ASN 12 Cb -0.10 -2.57 -0.18 0.00 -2.00 0.00 0.00 41.25 36.39 2opv s ASN 12 CO -0.08 -1.47 3.19 0.61 -2.94 0.00 0.00 177.10 176.40 2opv n GLY 13 N 0.00 3.36 2.87 0.45 0.00 -1.26 -4.63 105.19 105.99 2opv n GLY 13 Ca 0.12 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2opv n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opv n GLY 14 N 2.97 1.68 3.25 -0.02 0.00 -1.26 -4.92 105.19 106.89 2opv n GLY 14 Ca 0.54 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 2opv n GLY 14 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2opv s GLN 15 N 0.00 3.08 0.43 1.61 0.74 -1.26 -5.11 119.66 119.14 2opv s GLN 15 Ca 0.00 -0.85 -0.24 0.00 0.05 0.00 0.00 55.36 54.33 2opv s GLN 15 Cb 0.00 -2.35 -0.08 0.00 1.10 0.00 0.00 33.01 31.68 2opv s GLN 15 CO 0.00 0.20 1.12 -0.80 -0.55 0.00 0.00 175.29 175.26 2opv s ASN 16 N 0.31 6.42 -0.15 6.67 0.01 -1.26 -4.95 114.94 121.98 2opv s ASN 16 Ca -0.17 2.21 0.05 0.00 -0.71 0.00 0.00 52.86 54.25 2opv s ASN 16 Cb -0.17 -2.60 -0.13 0.00 0.41 0.00 0.00 41.25 38.76 2opv s ASN 16 CO 0.08 -0.74 -0.08 0.61 -1.51 0.00 0.00 177.10 175.47 2opv n GLY 17 N 0.42 -0.38 3.70 0.66 0.00 -1.18 -4.62 105.19 103.78 2opv n GLY 17 Ca 0.06 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2opv n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2opv s THR 18 N -2.32 3.63 -0.01 2.61 2.01 -0.55 -4.81 115.64 116.20 2opv s THR 18 Ca -0.16 1.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.90 2opv s THR 18 Cb 0.05 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2opv s THR 18 CO 0.44 0.03 0.02 0.54 -0.69 0.00 0.00 174.62 174.95 2opv s VAL 19 N 1.98 0.01 -0.02 3.82 0.11 -1.26 0.75 120.40 125.79 2opv s VAL 19 Ca 0.64 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.67 2opv s VAL 19 Cb -0.33 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 2opv s VAL 19 CO 0.28 -0.04 -0.15 -1.10 -3.33 0.00 0.00 175.10 170.76 2opv s GLN 20 N -0.09 1.32 -0.31 1.54 -0.21 -1.10 -4.95 119.66 115.86 2opv s GLN 20 Ca -0.01 -0.54 -0.10 0.00 0.02 0.00 0.00 55.36 54.73 2opv s GLN 20 Cb -0.01 -1.25 -0.02 0.00 1.00 0.00 0.00 33.01 32.74 2opv s GLN 20 CO -0.00 0.29 0.17 -1.21 -2.12 0.00 0.00 175.29 172.43 2opv s GLU 21 N -0.23 3.53 0.07 2.91 2.02 -1.24 -1.95 118.70 123.80 2opv s GLU 21 Ca 0.03 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2opv s GLU 21 Cb -0.07 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 2opv s GLU 21 CO 0.00 -0.35 0.21 0.42 0.02 0.00 0.00 175.26 175.55 2opv s ILE 22 N 1.67 5.32 -0.74 -1.63 -1.09 0.10 -4.86 121.20 119.98 2opv s ILE 22 Ca 0.06 -0.44 -0.11 0.00 -2.23 0.00 0.00 60.65 57.93 2opv s ILE 22 Cb -0.17 -3.61 0.19 0.00 -1.58 0.00 0.00 42.46 37.30 2opv s ILE 22 CO 0.08 0.12 0.65 -0.04 -1.23 0.00 0.00 174.94 174.52 2opv s MET 23 N -2.55 3.26 -0.10 2.79 -1.94 -1.26 -1.24 119.30 118.26 2opv s MET 23 Ca 0.35 -2.37 -0.30 0.00 -1.71 0.00 0.00 55.69 51.66 2opv s MET 23 Cb -0.13 -4.23 -0.02 0.00 2.01 0.00 0.00 34.83 32.46 2opv s MET 23 CO 0.28 -1.26 1.13 0.42 -0.01 0.00 0.00 175.02 175.57 2opv s ILE 24 N 0.31 4.48 0.22 2.53 -1.09 -0.37 -4.64 121.20 122.63 2opv s ILE 24 Ca 0.16 1.78 -0.31 0.00 -2.23 0.00 0.00 60.65 60.04 2opv s ILE 24 Cb -0.15 -4.14 -0.14 0.00 -1.58 0.00 0.00 42.46 36.44 2opv s ILE 24 CO -0.06 -0.04 1.27 -2.65 -1.23 0.00 0.00 174.94 172.23 2opv n PRO 25 N 5.43 1.63 -0.16 2.79 -0.02 -1.26 -0.42 135.00 142.98 2opv n PRO 25 Ca 0.11 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.27 2opv n PRO 25 Cb 0.47 -2.14 0.42 0.00 -0.02 0.00 0.00 33.50 32.23 2opv n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2opv h ALA 26 N 3.58 1.87 0.00 3.55 0.00 -1.83 0.26 119.26 126.69 2opv h ALA 26 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2opv h ALA 26 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2opv h ALA 26 CO 0.71 -0.02 -0.02 0.78 0.00 0.00 0.00 179.25 180.71 2opv h GLY 27 N 0.60 0.00 -0.44 0.00 0.00 -1.89 -3.07 103.07 98.27 2opv h GLY 27 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2opv h GLY 27 CO -0.11 0.00 -0.33 0.28 0.00 0.00 0.00 176.54 176.38 2opv n LYS 28 N -2.44 1.12 0.27 4.80 4.01 0.80 -4.24 118.16 122.48 2opv n LYS 28 Ca 0.05 -0.81 0.10 0.00 -0.51 0.00 0.00 58.31 57.15 2opv n LYS 28 Cb 0.45 -1.48 0.71 0.00 -0.51 0.00 0.00 35.03 34.20 2opv n LYS 28 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2opv h ALA 29 N 3.86 1.72 0.00 7.82 0.00 -1.11 -0.42 119.26 131.12 2opv h ALA 29 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2opv h ALA 29 Cb 0.64 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2opv h ALA 29 CO 0.00 0.06 -0.11 0.78 0.00 0.00 0.00 179.25 179.98 2opv h GLY 30 N 0.19 0.00 0.64 0.00 0.00 -1.80 -2.50 103.07 99.60 2opv h GLY 30 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2opv h GLY 30 CO 0.01 0.00 -1.53 1.41 0.00 0.00 0.00 176.54 176.43 2opv h LEU 31 N 0.00 0.44 -1.12 3.11 3.38 -1.38 0.98 115.31 120.72 2opv h LEU 31 Ca -0.00 -0.88 -0.07 0.00 0.09 0.00 0.00 57.88 57.03 2opv h LEU 31 Cb 0.34 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2opv h LEU 31 CO 0.01 1.67 -0.09 -0.37 0.09 0.00 0.00 178.44 179.75 2opv h VAL 32 N -0.19 1.22 0.11 1.22 -1.51 -1.48 -2.94 116.25 112.68 2opv h VAL 32 Ca -0.32 -0.96 -0.14 0.00 -1.23 0.00 0.00 66.70 64.04 2opv h VAL 32 Cb 1.85 1.10 0.02 0.00 -2.13 0.00 0.00 31.29 32.13 2opv h VAL 32 CO 0.09 0.32 -0.63 0.40 -1.23 0.00 0.00 177.57 176.51 2opv h ILE 33 N 0.47 1.57 -0.50 7.19 2.04 -1.57 -3.02 117.51 123.69 2opv h ILE 33 Ca 0.09 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.46 2opv h ILE 33 Cb 0.45 3.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 2opv h ILE 33 CO 0.02 0.69 0.00 0.61 0.00 0.00 0.00 178.15 179.48 2opv n GLY 34 N 1.64 0.91 2.32 5.37 0.00 0.19 -1.96 105.19 113.66 2opv n GLY 34 Ca -0.13 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 2opv n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2opv n LYS 35 N -0.25 -1.65 0.00 1.61 4.01 -0.32 -2.49 118.16 119.06 2opv n LYS 35 Ca 0.00 0.87 0.00 0.00 -0.51 0.00 0.00 58.31 58.67 2opv n LYS 35 Cb 0.08 -5.32 0.00 0.00 -0.51 0.00 0.00 35.03 29.28 2opv n LYS 35 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2opv n GLY 36 N -0.58 2.98 0.00 0.72 0.00 -1.26 -4.89 105.19 102.16 2opv n GLY 36 Ca -0.18 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2opv n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opv n GLY 37 N 0.00 0.00 0.12 -0.02 0.00 -1.05 -5.02 105.19 99.23 2opv n GLY 37 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2opv n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2opv h GLU 38 N 0.00 0.27 0.27 1.61 4.39 -1.37 -3.24 114.58 116.51 2opv h GLU 38 Ca 0.00 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 2opv h GLU 38 Cb 0.00 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2opv h GLU 38 CO 0.00 1.22 -0.13 1.15 -1.16 0.00 0.00 179.01 180.09 2opv h THR 39 N -0.28 0.77 -0.50 1.13 2.02 -1.64 -2.20 112.91 112.21 2opv h THR 39 Ca -0.28 -0.59 0.11 0.00 0.77 0.00 0.00 66.41 66.41 2opv h THR 39 Cb 1.78 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 2opv h THR 39 CO 0.08 0.12 0.35 -0.29 0.37 0.00 0.00 175.52 176.15 2opv h ILE 40 N -0.69 0.85 -0.58 3.11 2.10 -1.26 1.00 117.51 122.04 2opv h ILE 40 Ca -0.04 -0.07 -0.02 0.00 1.08 0.00 0.00 64.86 65.81 2opv h ILE 40 Cb 0.47 0.62 -0.03 0.00 -1.09 0.00 0.00 36.82 36.80 2opv h ILE 40 CO 0.06 0.04 0.27 0.50 -1.08 0.00 0.00 178.15 177.94 2opv h LYS 41 N 0.21 0.83 -0.13 2.19 3.64 -1.53 -3.06 116.57 118.72 2opv h LYS 41 Ca 0.23 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 2opv h LYS 41 Cb 0.66 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2opv h LYS 41 CO -0.04 0.68 -0.44 1.96 -2.27 0.00 0.00 179.45 179.34 2opv h GLN 42 N 0.78 0.53 -0.27 1.90 1.08 -0.24 -3.32 115.11 115.57 2opv h GLN 42 Ca 0.20 -0.39 0.05 0.00 -1.45 0.00 0.00 58.65 57.06 2opv h GLN 42 Cb 0.13 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.58 2opv h GLN 42 CO -0.02 1.02 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.75 2opv h LEU 43 N 0.14 -0.21 -1.16 1.46 3.38 -1.06 0.10 115.31 117.96 2opv h LEU 43 Ca -0.02 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2opv h LEU 43 Cb 1.07 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 2opv h LEU 43 CO 0.09 -0.07 0.57 1.56 0.09 0.00 0.00 178.44 180.68 2opv h GLN 44 N 0.02 1.09 0.04 1.13 4.20 -1.66 -1.02 115.11 118.91 2opv h GLN 44 Ca 0.13 -0.07 -0.21 0.00 0.06 0.00 0.00 58.65 58.56 2opv h GLN 44 Cb 0.19 -0.25 0.02 0.00 0.30 0.00 0.00 27.48 27.75 2opv h GLN 44 CO -0.26 0.72 -0.86 0.93 -0.67 0.00 0.00 178.83 178.69 2opv h GLU 45 N 1.12 0.51 -0.04 1.46 4.39 -1.43 -2.19 114.58 118.41 2opv h GLU 45 Ca 0.33 -0.60 -0.18 0.00 0.34 0.00 0.00 59.36 59.24 2opv h GLU 45 Cb -0.06 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2opv h GLU 45 CO -0.08 1.23 -0.78 0.07 -1.16 0.00 0.00 179.01 178.29 2opv h ARG 46 N 0.05 0.29 0.00 2.33 0.11 -0.80 -3.20 114.38 113.16 2opv h ARG 46 Ca -0.12 -0.26 -0.03 0.00 0.10 0.00 0.00 59.98 59.67 2opv h ARG 46 Cb 1.56 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.70 2opv h ARG 46 CO 0.17 0.93 -1.07 0.00 0.10 0.00 0.00 179.97 180.10 2opv h ALA 47 N 0.99 0.53 -0.43 0.08 0.00 -1.31 -3.48 119.26 115.65 2opv h ALA 47 Ca -0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2opv h ALA 47 Cb 1.36 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2opv h ALA 47 CO 0.12 0.17 -0.08 0.41 0.00 0.00 0.00 179.25 179.88 2opv n GLY 48 N 1.22 0.30 3.57 0.00 0.00 -0.85 -4.88 105.19 104.54 2opv n GLY 48 Ca -0.02 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 2opv n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2opv s VAL 49 N -2.16 1.91 -0.25 1.61 -7.23 -1.03 -4.94 120.40 108.31 2opv s VAL 49 Ca 0.00 -2.05 -0.10 0.00 -1.81 0.00 0.00 61.98 58.02 2opv s VAL 49 Cb 0.00 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 2opv s VAL 49 CO 0.00 -0.06 0.15 -0.75 -0.31 0.00 0.00 175.10 174.13 2opv s LYS 50 N -3.72 3.96 -0.23 4.82 2.47 0.64 -4.51 119.74 123.18 2opv s LYS 50 Ca 0.34 -0.32 0.01 0.00 -1.56 0.00 0.00 55.97 54.44 2opv s LYS 50 Cb 0.08 -3.54 0.04 0.00 -1.46 0.00 0.00 37.83 32.94 2opv s LYS 50 CO 0.17 -0.06 -0.13 -1.64 0.16 0.00 0.00 175.35 173.85 2opv s MET 51 N 1.38 2.66 -0.38 4.03 -1.94 -1.26 0.55 119.30 124.34 2opv s MET 51 Ca 0.07 -1.07 -0.09 0.00 -1.71 0.00 0.00 55.69 52.88 2opv s MET 51 Cb -0.15 -2.80 0.05 0.00 2.01 0.00 0.00 34.83 33.94 2opv s MET 51 CO 0.07 -0.40 0.20 -1.50 -0.01 0.00 0.00 175.02 173.38 2opv s ILE 52 N 1.23 4.30 -0.65 2.53 2.07 -0.97 -5.00 121.20 124.71 2opv s ILE 52 Ca -0.02 -1.09 -0.26 0.00 -1.41 0.00 0.00 60.65 57.87 2opv s ILE 52 Cb -0.17 -3.48 0.04 0.00 0.13 0.00 0.00 42.46 38.98 2opv s ILE 52 CO -0.08 -0.31 1.15 -0.76 -1.91 0.00 0.00 174.94 173.04 2opv s LEU 53 N 1.48 3.58 -0.77 8.50 2.01 -1.26 -2.91 118.68 129.31 2opv s LEU 53 Ca 0.01 -0.35 -0.25 0.00 0.01 0.00 0.00 54.13 53.56 2opv s LEU 53 Cb -0.20 -2.76 0.05 0.00 0.01 0.00 0.00 46.19 43.28 2opv s LEU 53 CO 0.04 -1.57 1.23 -0.63 1.01 0.00 0.00 176.35 176.43 2opv s ILE 54 N 4.97 3.93 -0.19 -0.59 1.01 -0.50 -4.81 121.20 125.02 2opv s ILE 54 Ca 0.35 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 2opv s ILE 54 Cb -0.10 -4.88 -0.22 0.00 0.01 0.00 0.00 42.46 37.27 2opv s ILE 54 CO 0.18 -1.77 0.10 0.00 0.00 0.00 0.00 174.94 173.45 2opv n GLN 55 N 8.81 0.70 0.00 2.79 6.02 -1.26 -3.74 117.38 130.69 2opv n GLN 55 Ca 0.07 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 2opv n GLN 55 Cb 0.48 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.12 2opv n GLN 55 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2opv n ASP 56 N -3.48 0.75 -1.75 1.08 5.75 -1.26 -4.75 116.55 112.90 2opv n ASP 56 Ca -0.38 -1.01 -0.15 0.00 -0.01 0.00 0.00 54.79 53.24 2opv n ASP 56 Cb 1.00 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 41.16 2opv n ASP 56 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2opv n GLY 57 N -0.01 3.66 3.53 6.12 0.00 -1.26 -4.85 105.19 112.39 2opv n GLY 57 Ca 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 2opv n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2opv s SER 58 N -0.08 -0.37 0.00 1.61 0.15 -1.26 -5.04 113.70 108.71 2opv s SER 58 Ca 0.31 0.17 0.23 0.00 0.70 0.00 0.00 55.95 57.36 2opv s SER 58 Cb 0.25 0.35 0.12 0.00 -1.71 0.00 0.00 66.02 65.03 2opv s SER 58 CO 0.03 -0.51 1.18 0.00 1.20 0.00 0.00 173.24 175.14 2opv n GLN 59 N 0.15 1.53 -0.15 5.44 6.02 -1.26 -3.55 117.38 125.57 2opv n GLN 59 Ca -0.09 -1.25 0.03 0.00 -0.01 0.00 0.00 57.00 55.68 2opv n GLN 59 Cb 0.60 -1.47 0.11 0.00 1.02 0.00 0.00 30.24 30.49 2opv n GLN 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2opv n ASN 60 N 0.36 1.49 0.31 1.08 4.13 -1.26 -3.83 115.26 117.53 2opv n ASN 60 Ca 0.11 -2.06 0.20 0.00 1.68 0.00 0.00 54.58 54.51 2opv n ASN 60 Cb 0.50 -0.24 0.96 0.00 -1.54 0.00 0.00 39.78 39.46 2opv n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2opv h THR 61 N 1.34 0.05 0.00 3.41 1.03 -1.63 0.38 112.91 117.50 2opv h THR 61 Ca 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 2opv h THR 61 Cb 0.44 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 2opv h THR 61 CO 0.03 0.01 0.00 0.78 -0.01 0.00 0.00 175.52 176.33 2opv h ASN 62 N 0.00 0.00 0.00 0.00 4.21 -1.88 -3.37 115.58 114.54 2opv h ASN 62 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2opv h ASN 62 Cb 0.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 2opv h ASN 62 CO 0.00 0.00 -0.30 1.33 -1.29 0.00 0.00 177.43 177.18 2opv n VAL 63 N -3.00 1.03 -3.95 2.81 0.24 -0.50 -4.98 118.33 109.99 2opv n VAL 63 Ca 0.01 0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 2opv n VAL 63 Cb 0.33 -1.72 0.00 0.00 -1.47 0.00 0.00 33.84 30.98 2opv n VAL 63 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2opv n ASP 64 N -3.55 0.56 -3.70 -1.34 8.00 0.01 -2.68 116.55 113.85 2opv n ASP 64 Ca -0.04 -0.95 -0.25 0.00 0.71 0.00 0.00 54.79 54.27 2opv n ASP 64 Cb 0.15 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.08 2opv n ASP 64 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2opv s LYS 65 N -1.84 0.35 -0.07 -1.24 -0.14 0.44 -3.65 119.74 113.59 2opv s LYS 65 Ca 0.00 -0.05 -0.30 0.00 -1.36 0.00 0.00 55.97 54.26 2opv s LYS 65 Cb 0.00 -1.46 -0.08 0.00 -1.68 0.00 0.00 37.83 34.61 2opv s LYS 65 CO 0.00 -0.51 2.04 -2.30 -0.76 0.00 0.00 175.35 173.83 2opv n PRO 66 N 5.18 2.45 -4.08 -1.68 -0.02 -1.25 -1.24 135.00 134.37 2opv n PRO 66 Ca -0.07 0.84 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 2opv n PRO 66 Cb 0.49 -3.00 -0.15 0.00 -0.02 0.00 0.00 33.50 30.81 2opv n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2opv s LEU 67 N 5.62 2.80 -0.43 2.45 2.96 -0.37 -1.41 118.68 130.29 2opv s LEU 67 Ca 0.94 -1.05 -0.13 0.00 -0.22 0.00 0.00 54.13 53.67 2opv s LEU 67 Cb -0.46 -1.49 0.05 0.00 0.50 0.00 0.00 46.19 44.80 2opv s LEU 67 CO 0.42 -0.11 0.31 -0.13 -1.32 0.00 0.00 176.35 175.51 2opv s ARG 68 N 1.21 2.86 -0.55 1.98 0.52 -1.15 -0.72 118.95 123.11 2opv s ARG 68 Ca -0.03 -1.25 -0.22 0.00 -0.52 0.00 0.00 55.73 53.72 2opv s ARG 68 Cb -0.17 -3.94 0.05 0.00 0.52 0.00 0.00 34.95 31.42 2opv s ARG 68 CO -0.09 -0.88 0.81 0.42 0.02 0.00 0.00 175.30 175.58 2opv s ILE 69 N 1.58 4.59 -0.25 1.52 1.09 -0.82 -2.29 121.20 126.62 2opv s ILE 69 Ca 0.03 -0.16 -0.12 0.00 -1.10 0.00 0.00 60.65 59.31 2opv s ILE 69 Cb -0.22 -4.46 -0.05 0.00 -1.06 0.00 0.00 42.46 36.68 2opv s ILE 69 CO 0.06 -1.03 0.21 -0.63 -0.10 0.00 0.00 174.94 173.45 2opv s ILE 70 N 3.39 5.32 0.00 2.92 1.01 0.19 -2.70 121.20 131.32 2opv s ILE 70 Ca 0.23 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2opv s ILE 70 Cb -0.16 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2opv s ILE 70 CO 0.15 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2opv n GLY 71 N 4.46 -0.55 3.06 6.18 0.00 0.23 -0.26 105.19 118.30 2opv n GLY 71 Ca -0.14 0.56 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 2opv n GLY 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2opv s ASP 72 N -4.00 0.99 0.43 1.61 -1.08 -1.26 -1.48 116.67 111.87 2opv s ASP 72 Ca 0.00 -0.44 0.26 0.00 -0.52 0.00 0.00 52.55 51.85 2opv s ASP 72 Cb 0.00 -0.01 1.31 0.00 -1.46 0.00 0.00 42.92 42.76 2opv s ASP 72 CO 0.00 -0.10 1.68 -0.65 0.52 0.00 0.00 175.17 176.62 2opv h PRO 73 N 4.87 0.19 0.58 4.34 0.11 -1.97 0.58 132.00 140.70 2opv h PRO 73 Ca -0.35 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 2opv h PRO 73 Cb 1.20 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2opv h PRO 73 CO 0.43 0.12 -0.28 -0.92 -0.21 0.00 0.00 178.00 177.15 2opv h TYR 74 N 0.19 -0.73 -0.00 0.65 3.20 -1.96 -2.33 116.97 116.00 2opv h TYR 74 Ca 0.73 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.43 2opv h TYR 74 Cb 2.18 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 40.67 2opv h TYR 74 CO -0.00 -0.45 -0.73 1.57 -1.64 0.00 0.00 178.16 176.91 2opv h LYS 75 N -0.93 0.01 -0.68 1.82 2.10 -1.47 -0.76 116.57 116.65 2opv h LYS 75 Ca -0.08 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.52 2opv h LYS 75 Cb 0.60 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.90 2opv h LYS 75 CO 0.13 0.73 0.27 0.28 -2.00 0.00 0.00 179.45 178.86 2opv h VAL 76 N 0.01 1.23 0.16 0.07 2.07 0.02 0.36 116.25 120.17 2opv h VAL 76 Ca -0.01 -0.74 -0.30 0.00 0.82 0.00 0.00 66.70 66.47 2opv h VAL 76 Cb 1.28 0.43 0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2opv h VAL 76 CO 0.10 0.30 -1.31 1.56 0.02 0.00 0.00 177.57 178.23 2opv h GLN 77 N 0.98 0.47 -0.75 1.57 1.08 -1.22 -0.81 115.11 116.43 2opv h GLN 77 Ca 0.23 -0.73 -0.04 0.00 -1.45 0.00 0.00 58.65 56.66 2opv h GLN 77 Cb 0.19 0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 2opv h GLN 77 CO -0.02 1.34 0.33 1.96 -0.95 0.00 0.00 178.83 181.49 2opv h GLN 78 N 0.17 1.11 -0.38 1.46 4.20 -0.92 0.20 115.11 120.94 2opv h GLN 78 Ca -0.19 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.22 2opv h GLN 78 Cb 2.00 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.58 2opv h GLN 78 CO 0.24 0.89 -0.24 0.00 -0.67 0.00 0.00 178.83 179.04 2opv h ALA 79 N 1.17 0.87 0.12 3.87 0.00 -0.32 -0.42 119.26 124.55 2opv h ALA 79 Ca 0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2opv h ALA 79 Cb 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2opv h ALA 79 CO -0.03 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 2opv h GLU 81 N -0.42 0.00 0.03 0.00 4.11 -0.62 0.20 114.58 117.89 2opv h GLU 81 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2opv h GLU 81 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2opv h GLU 81 CO 0.03 0.22 -0.01 1.98 0.07 0.00 0.00 179.01 181.29 2opv h MET 82 N 0.00 -0.04 0.01 1.06 4.05 -0.81 -1.03 114.93 118.16 2opv h MET 82 Ca -0.00 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.20 2opv h MET 82 Cb 0.47 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 2opv h MET 82 CO 0.03 0.31 -0.95 -0.39 0.23 0.00 0.00 176.91 176.13 2opv h VAL 83 N -0.39 1.43 -0.36 -5.77 -1.51 -0.71 -2.78 116.25 106.16 2opv h VAL 83 Ca -0.00 -2.53 -0.05 0.00 -1.23 0.00 0.00 66.70 62.89 2opv h VAL 83 Cb 0.37 2.47 -0.02 0.00 -2.13 0.00 0.00 31.29 31.98 2opv h VAL 83 CO 0.01 0.75 0.02 -0.03 -1.23 0.00 0.00 177.57 177.09 2opv h MET 84 N 0.19 0.56 -0.18 5.19 -1.53 -0.66 -1.11 114.93 117.39 2opv h MET 84 Ca -0.08 -0.11 0.00 0.00 -3.44 0.00 0.00 59.70 56.07 2opv h MET 84 Cb 1.60 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 32.55 2opv h MET 84 CO 0.16 0.56 0.11 0.22 0.14 0.00 0.00 176.91 178.10 2opv h ASP 85 N 0.54 0.18 -0.79 1.39 1.82 -1.03 -1.21 116.42 117.32 2opv h ASP 85 Ca 0.12 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 2opv h ASP 85 Cb 0.31 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.24 2opv h ASP 85 CO 0.01 0.13 0.42 0.40 -1.61 0.00 0.00 179.24 178.59 2opv h ILE 86 N 0.23 1.24 -0.30 2.25 2.04 -1.11 -1.39 117.51 120.47 2opv h ILE 86 Ca 0.07 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 2opv h ILE 86 Cb -0.01 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 2opv h ILE 86 CO -0.03 0.27 -0.12 -0.07 0.00 0.00 0.00 178.15 178.20 2opv h LEU 87 N 1.12 0.63 -0.86 1.44 3.38 -0.95 -2.96 115.31 117.12 2opv h LEU 87 Ca 0.28 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2opv h LEU 87 Cb 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2opv h LEU 87 CO -0.04 0.89 0.00 -2.11 0.09 0.00 0.00 178.44 177.26 2opv n ARG 88 N -4.42 1.57 0.00 1.13 1.85 -0.48 -5.02 116.66 111.28 2opv n ARG 88 Ca -0.03 -0.85 0.14 0.00 -1.00 0.00 0.00 57.85 56.12 2opv n ARG 88 Cb 0.36 -1.38 0.62 0.00 -1.05 0.00 0.00 32.46 31.01 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71