#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 0.00 -4.06 1.61 6.02 -1.26 -4.52 117.38 115.17 2opv n GLN 6 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 2opv n GLN 6 Cb 0.00 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.15 2opv n GLN 6 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2opv s PHE 7 N 0.00 0.54 0.00 1.08 -0.12 -1.26 -4.76 117.98 113.47 2opv s PHE 7 Ca 0.00 -0.72 0.00 0.00 -0.05 0.00 0.00 56.93 56.16 2opv s PHE 7 Cb 0.00 -0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.04 2opv s PHE 7 CO 0.00 -0.20 0.00 1.58 -0.05 0.00 0.00 175.22 176.55 2opv n HIS 8 N 0.91 0.00 -3.51 3.49 -0.00 -1.26 -5.02 115.22 109.82 2opv n HIS 8 Ca -0.19 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.86 2opv n HIS 8 Cb 0.57 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.34 2opv n HIS 8 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2opv s ASP 9 N 2.00 0.49 1.15 0.26 -1.08 -1.26 -4.99 116.67 113.25 2opv s ASP 9 Ca 0.00 0.31 0.00 0.00 -0.52 0.00 0.00 52.55 52.34 2opv s ASP 9 Cb 0.00 0.85 0.00 0.00 -1.46 0.00 0.00 42.92 42.31 2opv s ASP 9 CO 0.00 -0.28 0.00 -3.20 0.52 0.00 0.00 175.17 172.21 2opv n ASN 10 N 5.35 0.00 -4.69 -0.34 5.15 -1.00 -4.36 115.26 115.38 2opv n ASN 10 Ca -0.05 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.51 2opv n ASN 10 Cb 0.50 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.71 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2opv s ALA 11 N -1.00 3.42 -0.75 5.20 0.00 -1.26 -1.54 121.76 125.83 2opv s ALA 11 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.18 2opv s ALA 11 Cb 0.00 -3.25 0.16 0.00 0.00 0.00 0.00 23.12 20.03 2opv s ALA 11 CO 0.00 -0.50 0.81 0.27 0.00 0.00 0.00 175.76 176.33 2opv n ASN 12 N 4.79 2.11 0.00 0.00 6.94 -1.21 -4.77 115.26 123.12 2opv n ASN 12 Ca 0.05 -2.21 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 2opv n ASN 12 Cb 0.49 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 2opv n ASN 12 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2opv n GLY 13 N 0.13 0.58 4.35 4.83 0.00 -1.26 -4.39 105.19 109.44 2opv n GLY 13 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 1.76 3.73 -0.02 0.00 -1.26 -4.93 105.19 104.48 2opv n GLY 14 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2opv n GLY 14 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2opv n GLN 15 N 0.00 2.63 0.00 1.61 7.27 -1.26 -4.87 117.38 122.76 2opv n GLN 15 Ca 0.00 0.94 0.11 0.00 0.07 0.00 0.00 57.00 58.12 2opv n GLN 15 Cb 0.00 -2.72 0.56 0.00 2.41 0.00 0.00 30.24 30.49 2opv n GLN 15 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 2opv n ASN 16 N 2.42 0.00 0.00 1.69 6.94 -1.26 -3.32 115.26 121.74 2opv n ASN 16 Ca 0.10 0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 2opv n ASN 16 Cb 0.36 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 2opv n ASN 16 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2opv n GLY 17 N 0.68 2.80 3.70 4.83 0.00 -1.26 -3.18 105.19 112.76 2opv n GLY 17 Ca 0.10 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 5.20 -0.19 2.61 2.01 0.10 -4.90 115.64 120.47 2opv s THR 18 Ca 0.00 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 2opv s THR 18 Cb 0.00 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.16 2opv s THR 18 CO 0.00 0.46 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.56 2opv s VAL 19 N 0.29 2.60 -0.27 3.82 1.01 -1.26 -1.10 120.40 125.48 2opv s VAL 19 Ca 0.07 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 2opv s VAL 19 Cb -0.11 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.17 2opv s VAL 19 CO -0.01 0.50 -0.02 -1.58 0.00 0.00 0.00 175.10 173.99 2opv s GLN 20 N 1.25 2.70 -0.37 2.72 0.74 0.44 -4.92 119.66 122.21 2opv s GLN 20 Ca 0.03 -1.08 -0.14 0.00 0.05 0.00 0.00 55.36 54.22 2opv s GLN 20 Cb -0.14 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.86 2opv s GLN 20 CO -0.07 -0.49 0.29 -1.21 -0.55 0.00 0.00 175.29 173.26 2opv s GLU 21 N 1.32 3.27 0.21 1.67 2.02 -1.24 -0.27 118.70 125.69 2opv s GLU 21 Ca -0.02 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.20 2opv s GLU 21 Cb -0.18 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 2opv s GLU 21 CO -0.02 -0.60 0.39 0.42 0.02 0.00 0.00 175.26 175.46 2opv s ILE 22 N 1.77 5.21 -0.64 -1.63 -1.09 -0.14 -4.84 121.20 119.84 2opv s ILE 22 Ca 0.07 -0.46 -0.06 0.00 -2.23 0.00 0.00 60.65 57.97 2opv s ILE 22 Cb -0.18 -3.75 0.17 0.00 -1.58 0.00 0.00 42.46 37.11 2opv s ILE 22 CO 0.11 -0.21 0.49 -0.04 -1.23 0.00 0.00 174.94 174.06 2opv s MET 23 N -3.45 2.76 -0.05 2.79 -1.94 -1.25 -0.90 119.30 117.26 2opv s MET 23 Ca 0.38 -2.40 -0.30 0.00 -1.71 0.00 0.00 55.69 51.66 2opv s MET 23 Cb -0.11 -3.90 -0.02 0.00 2.01 0.00 0.00 34.83 32.81 2opv s MET 23 CO 0.30 -1.20 1.03 0.42 -0.01 0.00 0.00 175.02 175.55 2opv s ILE 24 N 0.19 4.73 0.12 2.53 -1.09 0.04 -4.64 121.20 123.08 2opv s ILE 24 Ca 0.16 1.98 -0.35 0.00 -2.23 0.00 0.00 60.65 60.20 2opv s ILE 24 Cb -0.19 -4.27 -0.16 0.00 -1.58 0.00 0.00 42.46 36.26 2opv s ILE 24 CO -0.04 0.07 1.27 -2.65 -1.23 0.00 0.00 174.94 172.35 2opv n PRO 25 N 4.57 1.13 0.20 2.79 -0.02 -1.26 0.62 135.00 143.03 2opv n PRO 25 Ca 0.08 0.41 0.08 0.00 -2.02 0.00 0.00 63.50 62.05 2opv n PRO 25 Cb 0.49 -1.99 0.61 0.00 -0.02 0.00 0.00 33.50 32.59 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 4.11 1.99 -0.51 3.55 0.00 -1.93 0.13 119.26 126.60 2opv h ALA 26 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2opv h ALA 26 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2opv h ALA 26 CO 0.75 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.40 2opv n GLY 27 N -1.54 1.80 0.00 0.00 0.00 -1.26 -3.85 105.19 100.34 2opv n GLY 27 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.93 1.58 0.25 1.61 3.00 0.42 -4.74 118.16 121.21 2opv n LYS 28 Ca 0.19 -1.04 0.13 0.00 -0.00 0.00 0.00 58.31 57.59 2opv n LYS 28 Cb 0.58 -0.84 0.59 0.00 0.00 0.00 0.00 35.03 35.36 2opv n LYS 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2opv h ALA 29 N 0.00 1.04 0.00 3.14 0.00 -1.56 -2.22 119.26 119.66 2opv h ALA 29 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2opv h ALA 29 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2opv h ALA 29 CO 0.00 0.15 0.00 0.78 0.00 0.00 0.00 179.25 180.18 2opv h GLY 30 N 1.88 0.00 0.85 0.00 0.00 -1.87 -2.53 103.07 101.41 2opv h GLY 30 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2opv h GLY 30 CO 0.02 0.00 -1.81 1.41 0.00 0.00 0.00 176.54 176.15 2opv h LEU 31 N 0.00 0.45 -0.76 3.11 3.38 -1.68 -0.91 115.31 118.90 2opv h LEU 31 Ca 0.00 -0.80 -0.13 0.00 0.09 0.00 0.00 57.88 57.04 2opv h LEU 31 Cb 0.33 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2opv h LEU 31 CO 0.00 1.70 -0.53 -0.37 0.09 0.00 0.00 178.44 179.33 2opv h VAL 32 N 0.08 1.36 0.15 1.22 -1.51 -1.59 -2.99 116.25 112.96 2opv h VAL 32 Ca -0.36 -1.81 -0.31 0.00 -1.23 0.00 0.00 66.70 63.00 2opv h VAL 32 Cb 2.05 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 33.10 2opv h VAL 32 CO 0.13 0.54 -1.51 0.40 -1.23 0.00 0.00 177.57 175.90 2opv h ILE 33 N 0.19 1.20 0.00 7.19 2.04 -1.60 -3.27 117.51 123.26 2opv h ILE 33 Ca 0.00 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 63.08 2opv h ILE 33 Cb 1.00 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 2opv h ILE 33 CO 0.08 0.83 0.00 0.61 0.00 0.00 0.00 178.15 179.68 2opv n GLY 34 N 1.68 1.26 2.01 5.37 0.00 -0.35 -2.07 105.19 113.09 2opv n GLY 34 Ca -0.16 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 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 1.43 1.94 0.00 1.61 4.01 -1.25 -3.86 118.16 122.04 2opv n LYS 35 Ca 0.00 -1.08 0.00 0.00 -0.51 0.00 0.00 58.31 56.72 2opv n LYS 35 Cb 0.00 -1.91 0.00 0.00 -0.51 0.00 0.00 35.03 32.61 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 2.14 0.70 0.00 0.72 0.00 -1.26 -4.95 105.19 102.53 2opv n GLY 36 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 0.96 0.14 -0.02 0.00 -1.20 -4.98 105.19 100.09 2opv n GLY 37 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.26 0.32 1.61 4.39 -1.91 -3.24 114.58 116.01 2opv h GLU 38 Ca 0.00 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 2opv h GLU 38 Cb 0.00 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2opv h GLU 38 CO 0.00 0.95 -0.23 1.15 -1.16 0.00 0.00 179.01 179.72 2opv h THR 39 N 0.15 0.51 -0.48 1.13 2.02 -1.89 0.11 112.91 114.48 2opv h THR 39 Ca -0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.15 2opv h THR 39 Cb 1.43 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 2opv h THR 39 CO 0.13 0.00 0.32 -0.29 0.37 0.00 0.00 175.52 176.05 2opv h ILE 40 N -0.55 1.11 -0.09 3.11 2.10 -1.47 -0.47 117.51 121.25 2opv h ILE 40 Ca -0.03 -0.21 -0.00 0.00 1.08 0.00 0.00 64.86 65.70 2opv h ILE 40 Cb 0.47 0.43 -0.00 0.00 -1.09 0.00 0.00 36.82 36.63 2opv h ILE 40 CO 0.01 0.11 0.04 0.50 -1.08 0.00 0.00 178.15 177.73 2opv h LYS 41 N 0.62 0.13 -0.25 2.19 3.64 -1.42 -3.06 116.57 118.42 2opv h LYS 41 Ca 0.18 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2opv h LYS 41 Cb -0.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2opv h LYS 41 CO -0.04 0.20 -0.09 1.96 -2.27 0.00 0.00 179.45 179.21 2opv h GLN 42 N 0.02 0.41 -0.25 1.90 1.08 0.38 -1.77 115.11 116.88 2opv h GLN 42 Ca 0.03 -0.10 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2opv h GLN 42 Cb 0.12 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 2opv h GLN 42 CO -0.00 0.51 0.10 -0.07 -0.95 0.00 0.00 178.83 178.42 2opv h LEU 43 N 0.39 0.12 -0.75 1.46 3.38 -1.05 0.38 115.31 119.24 2opv h LEU 43 Ca 0.08 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2opv h LEU 43 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2opv h LEU 43 CO 0.02 0.10 -0.00 1.56 0.09 0.00 0.00 178.44 180.21 2opv h GLN 44 N 0.22 0.95 0.26 1.13 4.20 -1.34 -0.25 115.11 120.28 2opv h GLN 44 Ca 0.11 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 2opv h GLN 44 Cb 0.06 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2opv h GLN 44 CO -0.10 0.94 -0.13 0.93 -0.67 0.00 0.00 178.83 179.81 2opv h GLU 45 N 0.88 -0.34 0.00 1.46 4.39 -0.74 -2.18 114.58 118.05 2opv h GLU 45 Ca 0.16 0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.70 2opv h GLU 45 Cb 0.52 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2opv h GLU 45 CO 0.03 -0.20 -0.88 0.07 -1.16 0.00 0.00 179.01 176.87 2opv h ARG 46 N -0.39 0.00 0.00 2.33 0.11 -0.15 -3.26 114.38 113.02 2opv h ARG 46 Ca -0.04 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.89 2opv h ARG 46 Cb 0.30 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.35 2opv h ARG 46 CO 0.06 0.88 -1.21 0.00 0.10 0.00 0.00 179.97 179.80 2opv h ALA 47 N 1.12 0.65 -0.17 0.08 0.00 -1.10 -3.48 119.26 116.36 2opv h ALA 47 Ca -0.01 -0.78 -0.04 0.00 0.00 0.00 0.00 54.91 54.09 2opv h ALA 47 Cb 1.56 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2opv h ALA 47 CO 0.11 0.88 -0.04 0.41 0.00 0.00 0.00 179.25 180.62 2opv n GLY 48 N 1.36 0.41 3.39 0.00 0.00 -0.82 -4.82 105.19 104.71 2opv n GLY 48 Ca -0.07 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.08 0.23 -0.21 1.61 -7.23 -1.23 -2.37 120.40 109.13 2opv s VAL 49 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 2opv s VAL 49 Cb 0.00 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2opv s VAL 49 CO 0.00 0.00 0.02 -0.75 -0.31 0.00 0.00 175.10 174.06 2opv s LYS 50 N -3.54 3.68 -0.21 4.82 2.20 -0.90 -4.51 119.74 121.26 2opv s LYS 50 Ca 0.33 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.46 2opv s LYS 50 Cb 0.02 -3.14 0.03 0.00 -1.51 0.00 0.00 37.83 33.23 2opv s LYS 50 CO 0.22 0.02 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.44 2opv s MET 51 N 1.01 2.77 -0.29 4.03 -1.94 -1.26 -0.55 119.30 123.07 2opv s MET 51 Ca 0.02 -0.99 -0.05 0.00 -1.71 0.00 0.00 55.69 52.96 2opv s MET 51 Cb -0.14 -2.74 0.02 0.00 2.01 0.00 0.00 34.83 33.98 2opv s MET 51 CO 0.02 -0.34 0.04 -1.50 -0.01 0.00 0.00 175.02 173.23 2opv s ILE 52 N 1.25 3.51 -0.61 2.53 2.07 -0.80 -4.98 121.20 124.18 2opv s ILE 52 Ca 0.00 -0.95 -0.23 0.00 -1.41 0.00 0.00 60.65 58.07 2opv s ILE 52 Cb -0.16 -2.86 0.06 0.00 0.13 0.00 0.00 42.46 39.63 2opv s ILE 52 CO -0.09 0.04 0.92 -0.76 -1.91 0.00 0.00 174.94 173.14 2opv s LEU 53 N 1.40 4.36 -0.83 8.50 2.01 -1.26 -2.46 118.68 130.40 2opv s LEU 53 Ca 0.00 -0.77 -0.25 0.00 0.01 0.00 0.00 54.13 53.12 2opv s LEU 53 Cb -0.18 -2.56 0.01 0.00 0.01 0.00 0.00 46.19 43.47 2opv s LEU 53 CO 0.00 -1.31 1.58 -0.63 1.01 0.00 0.00 176.35 177.01 2opv s ILE 54 N 3.87 3.65 -0.23 -0.59 1.01 -0.89 -4.71 121.20 123.30 2opv s ILE 54 Ca 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 2opv s ILE 54 Cb -0.16 -4.57 -0.14 0.00 0.01 0.00 0.00 42.46 37.60 2opv s ILE 54 CO 0.13 -1.50 -0.23 0.00 0.00 0.00 0.00 174.94 173.34 2opv n GLN 55 N 9.09 0.55 0.00 2.79 1.13 -1.26 -4.23 117.38 125.45 2opv n GLN 55 Ca 0.23 0.15 0.12 0.00 -1.94 0.00 0.00 57.00 55.57 2opv n GLN 55 Cb 0.50 -1.43 0.24 0.00 0.11 0.00 0.00 30.24 29.66 2opv n GLN 55 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2opv n ASP 56 N -3.39 1.91 -4.77 1.08 5.68 -1.26 -4.65 116.55 111.16 2opv n ASP 56 Ca -0.42 -1.48 -0.38 0.00 -0.50 0.00 0.00 54.79 52.01 2opv n ASP 56 Cb 0.90 0.17 -0.02 0.00 -1.14 0.00 0.00 41.12 41.03 2opv n ASP 56 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2opv s GLY 57 N -2.25 2.87 0.64 6.12 0.00 -1.26 -4.96 107.32 108.47 2opv s GLY 57 Ca 0.27 0.95 -0.11 0.00 0.00 0.00 0.00 44.72 45.83 2opv s GLY 57 CO 0.44 1.46 0.62 1.44 0.00 0.00 0.00 173.10 177.06 2opv n SER 58 N 0.11 -1.25 0.00 1.64 7.64 -1.26 -2.37 113.62 118.14 2opv n SER 58 Ca 0.04 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2opv n SER 58 Cb 0.47 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2opv n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2opv n GLN 59 N -3.15 0.00 -0.56 1.43 6.02 -1.26 -3.75 117.38 116.11 2opv n GLN 59 Ca 0.08 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.15 2opv n GLN 59 Cb 0.32 0.00 0.31 0.00 1.02 0.00 0.00 30.24 31.89 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 1.96 4.23 0.20 1.08 4.13 -1.26 -3.95 115.26 121.64 2opv n ASN 60 Ca 0.00 -2.44 0.04 0.00 1.68 0.00 0.00 54.58 53.86 2opv n ASN 60 Cb 0.00 -0.55 0.41 0.00 -1.54 0.00 0.00 39.78 38.10 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 3.44 1.21 -0.26 3.41 1.03 -1.56 -2.71 112.91 117.47 2opv h THR 61 Ca 0.00 -1.06 0.00 0.00 -0.01 0.00 0.00 66.41 65.34 2opv h THR 61 Cb 1.34 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 69.99 2opv h THR 61 CO 0.23 0.30 0.00 0.59 -0.01 0.00 0.00 175.52 176.63 2opv n ASN 62 N -4.16 3.26 0.00 0.00 4.13 -1.25 -4.99 115.26 112.24 2opv n ASN 62 Ca -0.02 -1.97 0.00 0.00 1.68 0.00 0.00 54.58 54.27 2opv n ASN 62 Cb 0.35 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2opv n VAL 63 N 1.40 0.00 -1.63 2.41 0.24 -1.02 -5.04 118.33 114.69 2opv n VAL 63 Ca 0.17 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.08 2opv n VAL 63 Cb 0.59 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.99 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 1.15 -4.69 -1.34 8.00 -1.26 -4.32 116.55 114.10 2opv n ASP 64 Ca 0.00 0.91 -0.37 0.00 0.71 0.00 0.00 54.79 56.03 2opv n ASP 64 Cb 0.00 -1.40 -0.07 0.00 -0.02 0.00 0.00 41.12 39.63 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 -2.49 4.20 -0.39 -1.24 -0.14 0.20 -4.71 119.74 115.17 2opv s LYS 65 Ca 0.70 0.14 -0.28 0.00 -1.36 0.00 0.00 55.97 55.17 2opv s LYS 65 Cb -0.46 -3.50 -0.00 0.00 -1.68 0.00 0.00 37.83 32.19 2opv s LYS 65 CO 0.51 0.07 1.61 -2.14 -0.76 0.00 0.00 175.35 174.64 2opv s PRO 66 N 0.99 3.40 -0.48 -1.68 0.02 -1.26 -0.78 135.00 135.21 2opv s PRO 66 Ca 0.18 1.11 -0.10 0.00 0.02 0.00 0.00 61.00 62.21 2opv s PRO 66 Cb -0.14 -4.13 0.12 0.00 0.02 0.00 0.00 34.50 30.37 2opv s PRO 66 CO 0.07 -1.78 0.36 -1.17 -0.33 0.00 0.00 177.00 174.15 2opv s LEU 67 N 6.32 5.76 -0.57 -5.54 2.96 -0.08 -2.10 118.68 125.43 2opv s LEU 67 Ca 0.69 -1.90 -0.24 0.00 -0.22 0.00 0.00 54.13 52.46 2opv s LEU 67 Cb -0.17 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.52 2opv s LEU 67 CO 0.32 -0.71 0.98 -0.13 -1.32 0.00 0.00 176.35 175.49 2opv s ARG 68 N 1.39 3.33 -0.53 1.98 0.52 -1.03 -0.97 118.95 123.64 2opv s ARG 68 Ca 0.05 -0.26 -0.20 0.00 -0.52 0.00 0.00 55.73 54.80 2opv s ARG 68 Cb -0.27 -4.07 0.06 0.00 0.52 0.00 0.00 34.95 31.19 2opv s ARG 68 CO -0.00 -1.56 0.71 0.42 0.02 0.00 0.00 175.30 174.89 2opv s ILE 69 N 4.12 4.75 -0.15 1.52 1.01 0.63 -1.90 121.20 131.19 2opv s ILE 69 Ca 0.31 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 2opv s ILE 69 Cb -0.12 -4.37 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 2opv s ILE 69 CO 0.19 -0.91 -0.08 -0.63 0.00 0.00 0.00 174.94 173.51 2opv s ILE 70 N 2.96 3.50 0.00 2.92 1.01 0.29 -0.42 121.20 131.45 2opv s ILE 70 Ca 0.18 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2opv s ILE 70 Cb -0.18 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.78 2opv s ILE 70 CO 0.13 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.18 2opv n GLY 71 N 3.58 0.15 3.71 6.18 0.00 -0.26 -2.12 105.19 116.42 2opv n GLY 71 Ca -0.18 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 7.02 0.47 1.61 2.15 -0.59 0.00 116.67 123.33 2opv s ASP 72 Ca 0.00 1.23 0.31 0.00 0.43 0.00 0.00 52.55 54.52 2opv s ASP 72 Cb 0.00 -2.43 1.42 0.00 -0.30 0.00 0.00 42.92 41.60 2opv s ASP 72 CO 0.00 -0.17 1.71 -0.65 -0.17 0.00 0.00 175.17 175.88 2opv h PRO 73 N 6.86 0.13 0.24 4.34 0.11 -1.87 0.29 132.00 142.11 2opv h PRO 73 Ca -0.39 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 2opv h PRO 73 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2opv h PRO 73 CO 0.76 0.09 -0.11 1.88 -0.21 0.00 0.00 178.00 180.41 2opv h TYR 74 N 0.13 -0.29 0.00 0.65 0.05 -1.98 -3.22 116.97 112.31 2opv h TYR 74 Ca 0.71 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.48 2opv h TYR 74 Cb 2.36 0.10 0.00 0.00 1.01 0.00 0.00 36.73 40.20 2opv h TYR 74 CO -0.00 -0.18 0.00 1.57 -1.05 0.00 0.00 178.16 178.49 2opv h LYS 75 N -1.00 0.00 -0.39 4.88 2.10 -1.69 0.13 116.57 120.61 2opv h LYS 75 Ca -0.03 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 2opv h LYS 75 Cb 0.24 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.56 2opv h LYS 75 CO 0.05 0.00 0.07 0.28 -2.00 0.00 0.00 179.45 177.85 2opv h VAL 76 N 0.00 1.24 -0.06 0.07 2.07 -0.58 0.60 116.25 119.58 2opv h VAL 76 Ca 0.00 -0.84 -0.17 0.00 0.82 0.00 0.00 66.70 66.51 2opv h VAL 76 Cb 0.60 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2opv h VAL 76 CO 0.00 0.29 -0.61 -0.61 0.02 0.00 0.00 177.57 176.66 2opv h GLN 77 N 0.49 0.52 -0.75 1.57 -0.00 -1.37 -1.42 115.11 114.15 2opv h GLN 77 Ca 0.12 -0.48 0.08 0.00 -0.00 0.00 0.00 58.65 58.38 2opv h GLN 77 Cb 0.35 0.12 -0.05 0.00 0.00 0.00 0.00 27.48 27.90 2opv h GLN 77 CO 0.01 1.11 0.49 1.96 0.00 0.00 0.00 178.83 182.40 2opv h GLN 78 N 0.09 0.69 -0.24 1.69 4.20 -0.78 -1.24 115.11 119.52 2opv h GLN 78 Ca -0.06 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 2opv h GLN 78 Cb 1.28 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 2opv h GLN 78 CO 0.12 0.46 -0.12 0.00 -0.67 0.00 0.00 178.83 178.62 2opv h ALA 79 N 1.61 0.33 0.25 3.87 0.00 -0.66 -1.93 119.26 122.73 2opv h ALA 79 Ca 0.34 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2opv h ALA 79 Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2opv h ALA 79 CO -0.12 0.19 -0.37 0.00 0.00 0.00 0.00 179.25 178.95 2opv h GLU 81 N -0.68 0.00 -0.00 0.00 4.11 -1.32 0.53 114.58 117.21 2opv h GLU 81 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2opv h GLU 81 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2opv h GLU 81 CO -0.14 0.12 -0.03 1.98 0.07 0.00 0.00 179.01 181.02 2opv h MET 82 N 0.00 0.03 0.01 1.06 4.05 -0.51 -2.19 114.93 117.38 2opv h MET 82 Ca -0.00 -0.02 -0.20 0.00 -0.28 0.00 0.00 59.70 59.20 2opv h MET 82 Cb 0.26 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 2opv h MET 82 CO 0.02 0.70 -0.90 -0.39 0.23 0.00 0.00 176.91 176.57 2opv h VAL 83 N -0.64 1.50 -0.08 -5.77 -1.51 -0.24 -2.84 116.25 106.68 2opv h VAL 83 Ca -0.00 -2.67 -0.10 0.00 -1.23 0.00 0.00 66.70 62.70 2opv h VAL 83 Cb 0.70 2.50 -0.01 0.00 -2.13 0.00 0.00 31.29 32.35 2opv h VAL 83 CO 0.01 0.78 -0.40 -0.03 -1.23 0.00 0.00 177.57 176.69 2opv h MET 84 N 0.10 0.16 -0.79 5.19 -1.53 -1.01 -2.86 114.93 114.19 2opv h MET 84 Ca -0.05 -0.07 -0.04 0.00 -3.44 0.00 0.00 59.70 56.10 2opv h MET 84 Cb 1.53 -0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 32.55 2opv h MET 84 CO 0.14 0.54 0.35 0.22 0.14 0.00 0.00 176.91 178.30 2opv h ASP 85 N 0.14 1.07 0.05 1.39 3.58 -1.15 -1.89 116.42 119.61 2opv h ASP 85 Ca 0.01 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 2opv h ASP 85 Cb 0.77 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 2opv h ASP 85 CO 0.06 0.93 -0.05 0.40 -2.88 0.00 0.00 179.24 177.69 2opv h ILE 86 N 1.14 1.04 0.00 2.25 2.04 -1.37 -1.29 117.51 121.31 2opv h ILE 86 Ca 0.27 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 2opv h ILE 86 Cb 0.17 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2opv h ILE 86 CO -0.03 0.05 -0.08 -0.07 0.00 0.00 0.00 178.15 178.02 2opv h LEU 87 N 0.00 0.00 -3.09 1.44 3.38 -1.31 -3.20 115.31 112.53 2opv h LEU 87 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2opv h LEU 87 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2opv h LEU 87 CO 0.01 0.08 -0.29 -2.11 0.09 0.00 0.00 178.44 176.22 2opv n ARG 88 N -3.13 1.65 0.00 1.13 -4.01 -0.58 -5.12 116.66 106.60 2opv n ARG 88 Ca 0.03 -3.12 0.09 0.00 -1.04 0.00 0.00 57.85 53.80 2opv n ARG 88 Cb 0.54 -1.65 0.07 0.00 -3.04 0.00 0.00 32.46 28.38 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68