#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 2.50 -3.81 1.61 6.02 -1.26 -4.38 117.38 118.06 2opv n GLN 6 Ca 0.00 -2.01 -0.28 0.00 -0.01 0.00 0.00 57.00 54.70 2opv n GLN 6 Cb 0.00 -2.86 0.04 0.00 1.02 0.00 0.00 30.24 28.45 2opv n GLN 6 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2opv n PHE 7 N 5.35 -2.42 -2.47 1.08 3.72 -1.26 -4.28 117.46 117.18 2opv n PHE 7 Ca 0.56 0.93 -0.03 0.00 -0.05 0.00 0.00 57.45 58.86 2opv n PHE 7 Cb 0.29 -4.30 0.04 0.00 -0.94 0.00 0.00 39.48 34.57 2opv n PHE 7 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2opv n HIS 8 N -4.73 -0.69 0.00 1.38 -0.00 -1.26 -3.75 115.22 106.16 2opv n HIS 8 Ca 0.00 -1.27 0.00 0.00 0.46 0.00 0.00 57.72 56.91 2opv n HIS 8 Cb 0.55 0.77 0.00 0.00 -0.12 0.00 0.00 29.99 31.19 2opv n HIS 8 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2opv n ASP 9 N -0.70 0.00 -3.37 0.26 -0.08 -1.26 -4.22 116.55 107.17 2opv n ASP 9 Ca -0.15 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 52.97 2opv n ASP 9 Cb 0.84 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.22 2opv n ASP 9 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2opv s ASN 10 N 0.00 1.31 0.28 1.67 2.47 -1.26 -4.08 114.94 115.32 2opv s ASN 10 Ca 0.00 -1.14 0.00 0.00 0.42 0.00 0.00 52.86 52.14 2opv s ASN 10 Cb 0.00 0.59 0.00 0.00 -1.45 0.00 0.00 41.25 40.39 2opv s ASN 10 CO 0.00 -0.32 0.00 0.00 -3.72 0.00 0.00 177.10 173.06 2opv n ALA 11 N 4.77 -2.05 -2.61 1.71 0.00 -1.26 -4.97 120.51 116.10 2opv n ALA 11 Ca 0.05 0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.56 2opv n ALA 11 Cb 0.46 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 2opv n ALA 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2opv s ASN 12 N -2.33 5.84 -0.75 0.00 4.22 -1.26 -4.68 114.94 115.98 2opv s ASN 12 Ca 0.00 -0.22 0.04 0.00 -2.14 0.00 0.00 52.86 50.54 2opv s ASN 12 Cb 0.00 -1.31 0.21 0.00 1.28 0.00 0.00 41.25 41.43 2opv s ASN 12 CO 0.00 -0.31 0.68 0.61 -2.04 0.00 0.00 177.10 176.04 2opv n GLY 13 N -1.49 4.34 0.00 0.45 0.00 -1.26 -4.96 105.19 102.27 2opv n GLY 13 Ca -0.03 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.34 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 1.67 1.43 3.84 -0.02 0.00 -1.26 -5.03 105.19 105.82 2opv n GLY 14 Ca 0.24 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2opv n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2opv s GLN 15 N 0.00 4.06 0.01 1.61 -1.52 -1.26 -5.09 119.66 117.47 2opv s GLN 15 Ca 0.00 0.79 0.05 0.00 -1.95 0.00 0.00 55.36 54.25 2opv s GLN 15 Cb 0.00 -2.36 -0.02 0.00 -0.22 0.00 0.00 33.01 30.41 2opv s GLN 15 CO 0.00 0.10 -0.15 0.54 -0.25 0.00 0.00 175.29 175.52 2opv s ASN 16 N -2.27 1.81 0.00 5.90 2.20 -1.26 -4.88 114.94 116.44 2opv s ASN 16 Ca 0.56 -0.37 0.00 0.00 -0.94 0.00 0.00 52.86 52.12 2opv s ASN 16 Cb -0.10 -0.17 0.00 0.00 -2.00 0.00 0.00 41.25 38.99 2opv s ASN 16 CO 0.17 0.13 0.00 0.61 -2.94 0.00 0.00 177.10 175.06 2opv n GLY 17 N 2.32 -0.11 3.12 0.45 0.00 -1.26 -5.02 105.19 104.68 2opv n GLY 17 Ca -0.16 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 1.58 -0.06 2.61 2.01 0.04 -4.98 115.64 116.84 2opv s THR 18 Ca 0.00 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.28 2opv s THR 18 Cb 0.00 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.13 2opv s THR 18 CO 0.00 0.45 -0.10 0.54 -0.69 0.00 0.00 174.62 174.83 2opv s VAL 19 N 0.53 0.98 -0.26 3.82 0.11 -1.25 -0.20 120.40 124.13 2opv s VAL 19 Ca -0.16 -0.37 -0.08 0.00 -2.93 0.00 0.00 61.98 58.43 2opv s VAL 19 Cb -0.17 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 2opv s VAL 19 CO 0.06 0.32 0.10 -1.10 -3.33 0.00 0.00 175.10 171.15 2opv s GLN 20 N 0.82 3.66 -0.46 1.54 -0.21 -0.17 -4.89 119.66 119.95 2opv s GLN 20 Ca -0.12 -0.48 -0.20 0.00 0.02 0.00 0.00 55.36 54.58 2opv s GLN 20 Cb -0.15 -3.40 0.03 0.00 1.00 0.00 0.00 33.01 30.49 2opv s GLN 20 CO 0.02 -0.21 0.63 -1.21 -2.12 0.00 0.00 175.29 172.40 2opv s GLU 21 N 1.64 3.22 -0.03 2.91 2.02 -1.24 -1.16 118.70 126.06 2opv s GLU 21 Ca 0.06 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2opv s GLU 21 Cb -0.15 -3.99 -0.03 0.00 0.10 0.00 0.00 34.13 30.05 2opv s GLU 21 CO 0.05 -1.06 0.01 0.42 0.02 0.00 0.00 175.26 174.69 2opv s ILE 22 N 2.76 4.25 -0.70 -1.63 -1.09 -0.06 -4.89 121.20 119.84 2opv s ILE 22 Ca 0.20 -0.45 -0.11 0.00 -2.23 0.00 0.00 60.65 58.06 2opv s ILE 22 Cb -0.15 -2.85 0.18 0.00 -1.58 0.00 0.00 42.46 38.05 2opv s ILE 22 CO 0.17 0.47 0.61 -0.04 -1.23 0.00 0.00 174.94 174.91 2opv s MET 23 N -1.30 3.16 -0.02 2.79 -1.94 -1.26 -0.36 119.30 120.37 2opv s MET 23 Ca 0.17 -2.29 -0.30 0.00 -1.71 0.00 0.00 55.69 51.56 2opv s MET 23 Cb -0.11 -4.20 -0.03 0.00 2.01 0.00 0.00 34.83 32.49 2opv s MET 23 CO 0.07 -1.26 1.09 0.42 -0.01 0.00 0.00 175.02 175.33 2opv s ILE 24 N 0.45 4.52 0.14 2.53 -1.09 -0.42 -4.67 121.20 122.67 2opv s ILE 24 Ca 0.14 1.81 -0.34 0.00 -2.23 0.00 0.00 60.65 60.03 2opv s ILE 24 Cb -0.17 -4.16 -0.16 0.00 -1.58 0.00 0.00 42.46 36.39 2opv s ILE 24 CO -0.05 0.09 1.21 -2.65 -1.23 0.00 0.00 174.94 172.30 2opv n PRO 25 N 4.39 1.12 -0.22 2.79 -0.02 -1.26 0.40 135.00 142.20 2opv n PRO 25 Ca 0.08 0.40 -0.08 0.00 -2.02 0.00 0.00 63.50 61.89 2opv n PRO 25 Cb 0.48 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 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 3.68 -0.26 0.00 3.55 0.00 -1.86 0.99 119.26 125.36 2opv h ALA 26 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2opv h ALA 26 Cb 1.34 0.95 0.00 0.00 0.00 0.00 0.00 17.79 20.09 2opv h ALA 26 CO 0.72 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 179.58 2opv n GLY 27 N -1.41 -1.58 0.54 0.00 0.00 -1.26 -3.17 105.19 98.31 2opv n GLY 27 Ca 0.03 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.05 2opv n GLY 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2opv n LYS 28 N -1.92 1.69 0.29 1.61 4.81 0.33 -3.83 118.16 121.15 2opv n LYS 28 Ca 0.06 -1.06 0.18 0.00 -0.87 0.00 0.00 58.31 56.62 2opv n LYS 28 Cb 0.38 -1.26 0.86 0.00 0.02 0.00 0.00 35.03 35.03 2opv n LYS 28 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2opv h ALA 29 N 3.64 1.04 0.00 3.14 0.00 -1.49 -2.34 119.26 123.25 2opv h ALA 29 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2opv h ALA 29 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2opv h ALA 29 CO 0.00 0.03 0.00 0.78 0.00 0.00 0.00 179.25 180.06 2opv h GLY 30 N 1.21 0.00 0.25 0.00 0.00 -1.87 -0.81 103.07 101.85 2opv h GLY 30 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 2opv h GLY 30 CO 0.00 0.00 -2.15 1.04 0.00 0.00 0.00 176.54 175.43 2opv n LEU 31 N -2.46 2.59 -0.07 3.11 4.77 -0.88 -1.95 117.00 122.11 2opv n LEU 31 Ca -0.00 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 2opv n LEU 31 Cb 0.12 -0.99 0.03 0.00 -2.33 0.00 0.00 43.42 40.25 2opv n LEU 31 CO 0.16 0.78 0.56 -0.37 -1.33 0.00 0.00 177.39 177.19 2opv h VAL 32 N -0.21 1.28 0.05 4.08 -1.51 -1.60 -3.18 116.25 115.17 2opv h VAL 32 Ca -0.51 -1.59 -0.29 0.00 -1.23 0.00 0.00 66.70 63.09 2opv h VAL 32 Cb 1.85 1.48 -0.03 0.00 -2.13 0.00 0.00 31.29 32.46 2opv h VAL 32 CO -0.07 0.52 -1.55 0.40 -1.23 0.00 0.00 177.57 175.64 2opv h ILE 33 N 0.63 1.09 0.00 7.19 2.04 -1.36 -3.26 117.51 123.84 2opv h ILE 33 Ca 0.05 -2.84 0.00 0.00 1.00 0.00 0.00 64.86 63.07 2opv h ILE 33 Cb 0.97 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 2opv h ILE 33 CO 0.09 0.72 0.00 0.61 0.00 0.00 0.00 178.15 179.57 2opv n GLY 34 N 1.59 0.08 2.67 5.37 0.00 -0.82 -1.56 105.19 112.52 2opv n GLY 34 Ca -0.15 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 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 0.24 2.69 0.00 1.61 4.01 -1.24 -3.09 118.16 122.39 2opv n LYS 35 Ca 0.00 -2.17 0.00 0.00 -0.51 0.00 0.00 58.31 55.63 2opv n LYS 35 Cb 0.00 -2.95 0.00 0.00 -0.51 0.00 0.00 35.03 31.57 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 3.99 -0.20 2.05 0.72 0.00 -1.26 -4.71 105.19 105.78 2opv n GLY 36 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 1.95 0.26 -0.02 0.00 -1.17 -4.88 105.19 101.33 2opv n GLY 37 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 2.72 0.40 0.57 1.61 4.39 -1.84 -1.85 114.58 120.57 2opv h GLU 38 Ca 0.00 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2opv h GLU 38 Cb 0.00 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2opv h GLU 38 CO 0.00 0.49 -0.27 1.15 -1.16 0.00 0.00 179.01 179.22 2opv h THR 39 N 0.38 0.32 -0.18 1.13 2.02 -1.84 -0.54 112.91 114.21 2opv h THR 39 Ca 0.08 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2opv h THR 39 Cb 0.37 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2opv h THR 39 CO 0.02 0.04 0.12 -0.29 0.37 0.00 0.00 175.52 175.78 2opv h ILE 40 N -1.00 1.04 0.06 3.11 2.10 -1.23 0.59 117.51 122.20 2opv h ILE 40 Ca -0.08 -0.08 -0.00 0.00 1.08 0.00 0.00 64.86 65.78 2opv h ILE 40 Cb 0.65 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 2opv h ILE 40 CO 0.13 0.04 -0.03 0.50 -1.08 0.00 0.00 178.15 177.71 2opv h LYS 41 N 0.24 -0.08 -0.48 2.19 3.64 -1.22 -3.04 116.57 117.81 2opv h LYS 41 Ca 0.07 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 2opv h LYS 41 Cb -0.01 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2opv h LYS 41 CO -0.01 -0.04 -0.15 1.96 -2.27 0.00 0.00 179.45 178.94 2opv h GLN 42 N -0.11 0.92 -0.52 1.90 4.20 0.55 -3.10 115.11 118.95 2opv h GLN 42 Ca -0.01 -0.35 0.06 0.00 0.06 0.00 0.00 58.65 58.42 2opv h GLN 42 Cb 0.08 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 2opv h GLN 42 CO 0.01 1.00 0.21 -0.07 -0.67 0.00 0.00 178.83 179.32 2opv h LEU 43 N 0.81 0.25 -1.43 1.46 3.38 -0.92 0.41 115.31 119.27 2opv h LEU 43 Ca 0.12 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2opv h LEU 43 Cb 0.69 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2opv h LEU 43 CO 0.05 0.17 0.22 1.56 0.09 0.00 0.00 178.44 180.53 2opv h GLN 44 N 0.41 0.60 0.11 1.13 4.20 -1.46 -0.89 115.11 119.21 2opv h GLN 44 Ca 0.24 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.73 2opv h GLN 44 Cb 0.23 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 27.90 2opv h GLN 44 CO -0.22 0.46 -0.72 0.93 -0.67 0.00 0.00 178.83 178.61 2opv h GLU 45 N 0.61 0.23 -0.05 1.46 5.08 -1.15 -3.21 114.58 117.54 2opv h GLU 45 Ca 0.16 -0.40 -0.17 0.00 -1.00 0.00 0.00 59.36 57.95 2opv h GLU 45 Cb 0.05 0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2opv h GLU 45 CO -0.02 1.19 -0.62 0.07 -1.00 0.00 0.00 179.01 178.63 2opv h ARG 46 N -0.50 0.51 0.00 2.33 0.11 -0.14 -3.29 114.38 113.41 2opv h ARG 46 Ca -0.13 -0.48 0.00 0.00 0.10 0.00 0.00 59.98 59.46 2opv h ARG 46 Cb 1.52 0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.72 2opv h ARG 46 CO 0.11 1.12 -0.28 0.00 0.10 0.00 0.00 179.97 181.01 2opv n ALA 47 N -2.58 2.58 -1.69 0.08 0.00 -0.35 -4.91 120.51 113.64 2opv n ALA 47 Ca -0.09 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.14 2opv n ALA 47 Cb 0.67 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 2opv n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2opv n GLY 48 N 1.33 0.53 3.43 0.00 0.00 -1.21 -4.86 105.19 104.39 2opv n GLY 48 Ca 0.05 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.35 1.92 -0.26 1.61 -7.23 -1.23 -4.78 120.40 108.08 2opv s VAL 49 Ca 0.00 -2.22 -0.10 0.00 -1.81 0.00 0.00 61.98 57.84 2opv s VAL 49 Cb 0.00 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2opv s VAL 49 CO 0.00 -0.40 0.17 -0.75 -0.31 0.00 0.00 175.10 173.81 2opv s LYS 50 N -3.64 3.98 -0.28 4.82 2.20 -0.22 -4.29 119.74 122.30 2opv s LYS 50 Ca 0.28 -0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 55.52 2opv s LYS 50 Cb 0.00 -3.58 0.01 0.00 -1.51 0.00 0.00 37.83 32.75 2opv s LYS 50 CO 0.11 -0.08 0.04 -1.64 -0.36 0.00 0.00 175.35 173.43 2opv s MET 51 N 1.45 3.07 -0.39 4.03 -1.94 -1.26 0.53 119.30 124.79 2opv s MET 51 Ca 0.07 -0.86 -0.06 0.00 -1.71 0.00 0.00 55.69 53.13 2opv s MET 51 Cb -0.15 -3.26 0.08 0.00 2.01 0.00 0.00 34.83 33.51 2opv s MET 51 CO 0.08 -0.41 0.19 -1.50 -0.01 0.00 0.00 175.02 173.37 2opv s ILE 52 N 1.46 3.78 -0.50 2.53 2.07 -0.03 -4.96 121.20 125.56 2opv s ILE 52 Ca 0.02 -1.51 -0.23 0.00 -1.41 0.00 0.00 60.65 57.52 2opv s ILE 52 Cb -0.17 -3.33 0.04 0.00 0.13 0.00 0.00 42.46 39.12 2opv s ILE 52 CO 0.01 -0.45 0.85 -0.76 -1.91 0.00 0.00 174.94 172.67 2opv s LEU 53 N 1.33 4.24 -1.10 8.50 2.01 -1.26 -1.49 118.68 130.91 2opv s LEU 53 Ca 0.02 -0.27 -0.22 0.00 0.01 0.00 0.00 54.13 53.67 2opv s LEU 53 Cb -0.22 -2.88 -0.01 0.00 0.01 0.00 0.00 46.19 43.10 2opv s LEU 53 CO 0.00 -1.06 1.78 -0.63 1.01 0.00 0.00 176.35 177.45 2opv s ILE 54 N 3.54 3.74 0.00 -0.59 -1.09 0.91 -4.09 121.20 123.63 2opv s ILE 54 Ca 0.29 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 2opv s ILE 54 Cb -0.13 -4.68 0.00 0.00 -1.58 0.00 0.00 42.46 36.07 2opv s ILE 54 CO 0.20 -1.44 0.00 0.00 -1.23 0.00 0.00 174.94 172.47 2opv n GLN 55 N 8.60 1.65 0.12 2.79 10.64 -1.26 -4.11 117.38 135.82 2opv n GLN 55 Ca 0.42 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.71 2opv n GLN 55 Cb 0.48 -0.90 0.45 0.00 -0.86 0.00 0.00 30.24 29.41 2opv n GLN 55 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2opv n ASP 56 N -1.98 0.75 -0.39 2.61 9.92 -1.26 -2.35 116.55 123.86 2opv n ASP 56 Ca 0.00 0.62 0.03 0.00 -0.53 0.00 0.00 54.79 54.90 2opv n ASP 56 Cb 0.40 -0.80 0.08 0.00 -0.64 0.00 0.00 41.12 40.15 2opv n ASP 56 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2opv n GLY 57 N 0.73 0.08 7.00 0.44 0.00 -1.26 -5.02 105.19 107.16 2opv n GLY 57 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2opv n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2opv n SER 58 N 0.02 -1.48 0.00 1.61 3.41 -0.99 -4.77 113.62 111.42 2opv n SER 58 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2opv n SER 58 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2opv n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2opv n GLN 59 N 0.00 0.00 -0.45 4.33 6.02 -1.26 -3.22 117.38 122.80 2opv n GLN 59 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 2opv n GLN 59 Cb 0.00 0.00 0.22 0.00 1.02 0.00 0.00 30.24 31.48 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 2.52 3.40 0.27 1.08 4.13 -1.26 -3.66 115.26 121.73 2opv n ASN 60 Ca 0.00 -2.44 0.15 0.00 1.68 0.00 0.00 54.58 53.97 2opv n ASN 60 Cb 0.00 -0.55 0.72 0.00 -1.54 0.00 0.00 39.78 38.41 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 2.23 0.35 0.03 3.41 1.03 -1.75 -2.99 112.91 115.23 2opv h THR 61 Ca 0.00 -0.59 -0.16 0.00 -0.01 0.00 0.00 66.41 65.65 2opv h THR 61 Cb 1.20 1.44 -0.01 0.00 -1.07 0.00 0.00 68.15 69.70 2opv h THR 61 CO 0.23 0.10 -0.82 -1.13 -0.01 0.00 0.00 175.52 173.89 2opv h ASN 62 N 0.00 0.10 -0.65 0.00 -0.73 -1.90 -3.49 115.58 108.91 2opv h ASN 62 Ca -0.00 -0.77 0.00 0.00 1.87 0.00 0.00 56.30 57.40 2opv h ASN 62 Cb 0.43 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.99 2opv h ASN 62 CO 0.01 1.34 0.00 1.33 -0.37 0.00 0.00 177.43 179.74 2opv n VAL 63 N -4.38 0.00 -1.66 2.57 0.24 -1.13 -4.76 118.33 109.21 2opv n VAL 63 Ca -0.22 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.66 2opv n VAL 63 Cb 0.66 -0.67 -0.00 0.00 -1.47 0.00 0.00 33.84 32.36 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 0.00 2.21 -4.59 -1.34 8.00 -1.26 -4.07 116.55 115.50 2opv n ASP 64 Ca 0.00 1.16 -0.40 0.00 0.71 0.00 0.00 54.79 56.26 2opv n ASP 64 Cb 0.00 -1.43 -0.08 0.00 -0.02 0.00 0.00 41.12 39.59 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 -1.87 3.89 -0.43 -1.24 -0.14 0.16 -4.76 119.74 115.35 2opv s LYS 65 Ca 0.58 0.03 -0.27 0.00 -1.36 0.00 0.00 55.97 54.94 2opv s LYS 65 Cb -0.59 -3.71 -0.04 0.00 -1.68 0.00 0.00 37.83 31.82 2opv s LYS 65 CO 0.60 -0.42 2.03 -2.14 -0.76 0.00 0.00 175.35 174.67 2opv s PRO 66 N 2.22 2.80 -0.13 -1.68 0.02 -1.26 -1.29 135.00 135.68 2opv s PRO 66 Ca 0.17 1.28 -0.05 0.00 0.02 0.00 0.00 61.00 62.42 2opv s PRO 66 Cb -0.16 -4.37 -0.04 0.00 0.02 0.00 0.00 34.50 29.95 2opv s PRO 66 CO 0.11 -2.49 0.06 -1.17 -0.33 0.00 0.00 177.00 173.18 2opv s LEU 67 N 9.02 3.89 -0.23 -5.54 0.20 0.51 -0.06 118.68 126.47 2opv s LEU 67 Ca 0.84 0.21 -0.01 0.00 0.69 0.00 0.00 54.13 55.86 2opv s LEU 67 Cb -0.20 -1.94 0.07 0.00 -0.43 0.00 0.00 46.19 43.69 2opv s LEU 67 CO 0.28 0.32 0.02 -0.13 -0.29 0.00 0.00 176.35 176.55 2opv s ARG 68 N -0.50 0.98 -0.53 1.98 0.52 -0.56 -0.88 118.95 119.96 2opv s ARG 68 Ca 0.10 -0.72 -0.21 0.00 -0.52 0.00 0.00 55.73 54.39 2opv s ARG 68 Cb -0.12 -2.26 0.06 0.00 0.52 0.00 0.00 34.95 33.15 2opv s ARG 68 CO 0.02 -0.68 0.73 0.42 0.02 0.00 0.00 175.30 175.81 2opv s ILE 69 N 1.66 4.71 -0.20 1.52 1.01 -0.31 -0.85 121.20 128.74 2opv s ILE 69 Ca -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 2opv s ILE 69 Cb -0.18 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 2opv s ILE 69 CO -0.10 -0.94 0.05 -0.63 0.00 0.00 0.00 174.94 173.32 2opv s ILE 70 N 3.07 4.48 0.00 2.92 1.01 0.19 -1.00 121.20 131.87 2opv s ILE 70 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2opv s ILE 70 Cb -0.18 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2opv s ILE 70 CO 0.13 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2opv n GLY 71 N 4.08 -0.53 3.74 6.18 0.00 0.73 -1.06 105.19 118.33 2opv n GLY 71 Ca -0.16 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 6.96 0.58 1.61 2.15 -1.25 -0.78 116.67 121.95 2opv s ASP 72 Ca 0.00 1.15 0.29 0.00 0.43 0.00 0.00 52.55 54.42 2opv s ASP 72 Cb 0.00 -2.38 1.48 0.00 -0.30 0.00 0.00 42.92 41.72 2opv s ASP 72 CO 0.00 0.02 1.91 -0.65 -0.17 0.00 0.00 175.17 176.28 2opv h PRO 73 N 6.08 0.00 0.00 4.34 0.11 -1.86 0.53 132.00 141.21 2opv h PRO 73 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 2opv h PRO 73 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2opv h PRO 73 CO 0.72 0.00 -0.28 -0.92 -0.21 0.00 0.00 178.00 177.31 2opv h TYR 74 N 0.00 0.00 0.00 0.65 3.20 -1.92 -3.18 116.97 115.72 2opv h TYR 74 Ca 0.23 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 2opv h TYR 74 Cb 1.19 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 2opv h TYR 74 CO 0.00 0.44 -0.40 1.57 -1.64 0.00 0.00 178.16 178.12 2opv h LYS 75 N -1.00 0.00 -0.87 1.82 2.10 -1.78 -1.23 116.57 115.61 2opv h LYS 75 Ca -0.05 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2opv h LYS 75 Cb 0.52 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.81 2opv h LYS 75 CO -0.03 0.40 0.51 0.28 -2.00 0.00 0.00 179.45 178.61 2opv h VAL 76 N 0.00 1.25 -0.04 0.07 2.07 -0.10 0.25 116.25 119.75 2opv h VAL 76 Ca -0.00 -0.57 -0.17 0.00 0.82 0.00 0.00 66.70 66.78 2opv h VAL 76 Cb 0.88 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2opv h VAL 76 CO 0.05 0.27 -0.64 1.56 0.02 0.00 0.00 177.57 178.83 2opv h GLN 77 N 1.20 0.50 -0.52 1.57 1.08 -1.43 0.12 115.11 117.64 2opv h GLN 77 Ca 0.31 -0.49 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 2opv h GLN 77 Cb -0.02 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2opv h GLN 77 CO -0.05 1.13 0.23 1.96 -0.95 0.00 0.00 178.83 181.14 2opv h GLN 78 N 0.07 0.74 -0.03 1.46 4.20 -1.12 0.16 115.11 120.58 2opv h GLN 78 Ca -0.07 -0.10 -0.19 0.00 0.06 0.00 0.00 58.65 58.35 2opv h GLN 78 Cb 1.32 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 2opv h GLN 78 CO 0.13 0.59 -0.82 0.00 -0.67 0.00 0.00 178.83 178.06 2opv h ALA 79 N 1.52 0.54 0.57 3.87 0.00 -0.44 -0.25 119.26 125.06 2opv h ALA 79 Ca 0.18 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2opv h ALA 79 Cb 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2opv h ALA 79 CO -0.02 0.83 -0.27 0.00 0.00 0.00 0.00 179.25 179.78 2opv h GLU 81 N -0.93 0.00 0.25 0.00 -0.00 -0.78 0.65 114.58 113.76 2opv h GLU 81 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.27 2opv h GLU 81 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.39 2opv h GLU 81 CO 0.13 0.09 -0.13 1.98 -0.00 0.00 0.00 179.01 181.08 2opv h MET 82 N 0.00 -0.34 0.11 1.06 4.05 -0.75 0.60 114.93 119.65 2opv h MET 82 Ca -0.00 0.02 -0.30 0.00 -0.28 0.00 0.00 59.70 59.14 2opv h MET 82 Cb 0.38 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 2opv h MET 82 CO 0.01 -0.23 -1.48 -0.39 0.23 0.00 0.00 176.91 175.05 2opv h VAL 83 N -0.36 1.20 -0.36 -5.77 -1.51 -0.76 -3.26 116.25 105.44 2opv h VAL 83 Ca -0.03 -2.85 -0.07 0.00 -1.23 0.00 0.00 66.70 62.52 2opv h VAL 83 Cb 0.29 2.77 -0.02 0.00 -2.13 0.00 0.00 31.29 32.20 2opv h VAL 83 CO 0.04 0.82 -0.08 -0.03 -1.23 0.00 0.00 177.57 177.09 2opv h MET 84 N 0.06 0.60 -0.92 5.19 1.85 0.25 -1.00 114.93 120.96 2opv h MET 84 Ca -0.22 -0.17 -0.01 0.00 -0.61 0.00 0.00 59.70 58.69 2opv h MET 84 Cb 2.00 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 33.92 2opv h MET 84 CO 0.16 0.68 0.52 0.22 -0.40 0.00 0.00 176.91 178.10 2opv h ASP 85 N 0.56 1.13 -0.63 1.39 3.58 -0.96 0.72 116.42 122.20 2opv h ASP 85 Ca 0.11 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 2opv h ASP 85 Cb 0.48 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2opv h ASP 85 CO 0.03 0.89 0.15 0.40 -2.88 0.00 0.00 179.24 177.82 2opv h ILE 86 N 1.27 1.26 -0.45 2.25 2.04 -1.42 -1.74 117.51 120.72 2opv h ILE 86 Ca 0.32 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 2opv h ILE 86 Cb -0.01 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2opv h ILE 86 CO -0.06 0.35 0.03 -0.07 0.00 0.00 0.00 178.15 178.41 2opv h LEU 87 N 0.93 0.67 -2.10 1.44 3.38 -0.29 -2.35 115.31 117.00 2opv h LEU 87 Ca 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2opv h LEU 87 Cb 0.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2opv h LEU 87 CO 0.00 0.72 0.00 0.54 0.09 0.00 0.00 178.44 179.79 2opv n ARG 88 N -4.25 2.32 0.00 1.13 5.12 0.16 -5.09 116.66 116.04 2opv n ARG 88 Ca 0.03 -2.05 0.08 0.00 -1.93 0.00 0.00 57.85 53.97 2opv n ARG 88 Cb 0.26 -1.44 0.07 0.00 -1.16 0.00 0.00 32.46 30.18 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79