#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oj8 h TRP 3 N 0.00 0.93 -0.24 2.11 -0.00 -1.88 -1.61 115.95 115.26 1oj8 h TRP 3 Ca 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.89 58.77 1oj8 h TRP 3 Cb 0.00 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 28.88 1oj8 h TRP 3 CO 0.00 0.79 0.09 0.22 -0.00 0.00 0.00 178.44 179.54 1oj8 h ASP 4 N 0.81 0.34 -0.31 2.65 3.58 -1.99 -2.14 116.42 119.35 1oj8 h ASP 4 Ca 0.18 -0.18 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1oj8 h ASP 4 Cb 0.31 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1oj8 h ASP 4 CO -0.00 0.43 -0.02 0.74 -2.88 0.00 0.00 179.24 177.50 1oj8 h THR 5 N 0.23 1.23 -0.37 2.25 2.02 -1.95 -2.10 112.91 114.22 1oj8 h THR 5 Ca 0.08 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1oj8 h THR 5 Cb 0.20 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1oj8 h THR 5 CO -0.01 0.33 0.22 0.15 0.37 0.00 0.00 175.52 176.59 1oj8 h PHE 6 N 0.64 0.49 -0.45 3.16 3.57 -1.08 0.07 116.94 123.34 1oj8 h PHE 6 Ca 0.13 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1oj8 h PHE 6 Cb 0.43 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1oj8 h PHE 6 CO 0.02 0.36 0.13 1.96 -2.23 0.00 0.00 178.31 178.55 1oj8 h GLN 7 N 0.48 0.70 -0.54 1.11 4.20 -1.12 0.30 115.11 120.24 1oj8 h GLN 7 Ca 0.13 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1oj8 h GLN 7 Cb 0.02 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1oj8 h GLN 7 CO -0.02 0.69 0.15 0.87 -0.67 0.00 0.00 178.83 179.85 1oj8 h LYS 8 N 0.59 0.86 0.01 1.46 1.57 -1.16 -2.05 116.57 117.84 1oj8 h LYS 8 Ca 0.14 -0.19 -0.21 0.00 -1.87 0.00 0.00 60.65 58.52 1oj8 h LYS 8 Cb 0.29 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1oj8 h LYS 8 CO -0.00 0.79 -1.00 0.87 -0.57 0.00 0.00 179.45 179.54 1oj8 h LYS 9 N 0.76 0.02 0.00 3.15 1.57 -0.84 -3.40 116.57 117.82 1oj8 h LYS 9 Ca 0.17 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1oj8 h LYS 9 Cb 0.31 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1oj8 h LYS 9 CO -0.00 1.00 0.00 0.72 -0.57 0.00 0.00 179.45 180.60 1oj8 n HIS 10 N -3.37 0.00 -4.67 -1.35 8.25 0.10 -4.71 115.22 109.47 1oj8 n HIS 10 Ca -0.00 -0.33 -0.30 0.00 -0.26 0.00 0.00 57.72 56.82 1oj8 n HIS 10 Cb 0.94 -0.03 -0.13 0.00 1.12 0.00 0.00 29.99 31.88 1oj8 n HIS 10 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oj8 s LEU 11 N -0.65 2.50 -0.03 2.41 1.43 -0.78 0.26 118.68 123.82 1oj8 s LEU 11 Ca 0.00 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1oj8 s LEU 11 Cb 0.00 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.78 1oj8 s LEU 11 CO 0.00 0.25 0.15 0.28 0.23 0.00 0.00 176.35 177.25 1oj8 s THR 12 N -0.92 0.04 -2.93 5.49 -1.32 -0.67 -4.80 115.64 110.53 1oj8 s THR 12 Ca 0.14 -0.30 0.24 0.00 -1.21 0.00 0.00 61.69 60.56 1oj8 s THR 12 Cb -0.10 -0.31 0.23 0.00 -1.51 0.00 0.00 72.50 70.80 1oj8 s THR 12 CO 0.05 -0.16 1.29 -0.90 -2.21 0.00 0.00 174.62 172.69 1oj8 n ASP 13 N 2.34 2.99 -4.14 8.08 3.85 -1.26 -3.12 116.55 125.28 1oj8 n ASP 13 Ca -0.17 -1.98 -0.20 0.00 -0.71 0.00 0.00 54.79 51.73 1oj8 n ASP 13 Cb 0.57 -0.03 -0.13 0.00 -1.35 0.00 0.00 41.12 40.19 1oj8 n ASP 13 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1oj8 s THR 14 N -1.95 1.10 0.07 2.12 -1.32 -1.26 -5.03 115.64 109.37 1oj8 s THR 14 Ca 0.30 -1.04 0.03 0.00 -1.21 0.00 0.00 61.69 59.77 1oj8 s THR 14 Cb 0.20 -1.01 -0.24 0.00 -1.51 0.00 0.00 72.50 69.95 1oj8 s THR 14 CO 0.30 -0.03 1.10 0.11 -2.21 0.00 0.00 174.62 173.89 1oj8 h LYS 15 N 4.84 0.11 -4.36 7.08 1.57 -2.01 -3.39 116.57 120.41 1oj8 h LYS 15 Ca -0.38 -0.18 -0.76 0.00 -1.87 0.00 0.00 60.65 57.46 1oj8 h LYS 15 Cb 1.18 0.07 -0.21 0.00 0.08 0.00 0.00 32.23 33.35 1oj8 h LYS 15 CO 0.43 1.01 1.10 1.63 -0.57 0.00 0.00 179.45 183.05 1oj8 n LYS 16 N -3.37 3.44 -2.40 3.15 5.02 -1.26 -4.80 118.16 117.94 1oj8 n LYS 16 Ca -0.07 -4.03 -0.41 0.00 -2.02 0.00 0.00 58.31 51.78 1oj8 n LYS 16 Cb 0.99 -2.89 -0.04 0.00 -0.02 0.00 0.00 35.03 33.08 1oj8 n LYS 16 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1oj8 s VAL 17 N 0.64 3.44 -1.20 -0.18 1.01 -1.26 -4.94 120.40 117.91 1oj8 s VAL 17 Ca 0.39 1.35 -0.16 0.00 0.00 0.00 0.00 61.98 63.56 1oj8 s VAL 17 Cb -0.05 -3.86 0.12 0.00 0.00 0.00 0.00 36.38 32.59 1oj8 s VAL 17 CO -0.02 0.29 1.51 -0.54 0.00 0.00 0.00 175.10 176.33 1oj8 s LYS 18 N -1.05 3.97 0.19 2.72 3.01 -1.26 -4.88 119.74 122.44 1oj8 s LYS 18 Ca 0.48 -2.20 -0.14 0.00 -1.01 0.00 0.00 55.97 53.10 1oj8 s LYS 18 Cb -0.33 -5.23 0.18 0.00 -1.01 0.00 0.00 37.83 31.44 1oj8 s LYS 18 CO 0.41 -1.97 1.67 0.00 0.51 0.00 0.00 175.35 175.97 1oj8 h ASP 20 N 0.07 0.00 0.04 0.00 5.19 -1.89 -0.30 116.42 119.53 1oj8 h ASP 20 Ca 0.25 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.58 1oj8 h ASP 20 Cb 0.38 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.90 1oj8 h ASP 20 CO -0.46 0.18 -0.34 0.58 -3.12 0.00 0.00 179.24 176.08 1oj8 h VAL 21 N 0.00 1.61 -0.08 -1.35 2.07 -1.78 -3.35 116.25 113.37 1oj8 h VAL 21 Ca -0.00 -2.24 -0.08 0.00 0.82 0.00 0.00 66.70 65.19 1oj8 h VAL 21 Cb 0.37 3.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1oj8 h VAL 21 CO 0.02 0.61 -0.28 -0.33 0.02 0.00 0.00 177.57 177.61 1oj8 h GLU 22 N -0.61 0.33 0.00 1.57 4.39 -1.20 -3.32 114.58 115.74 1oj8 h GLU 22 Ca -0.05 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1oj8 h GLU 22 Cb 1.19 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1oj8 h GLU 22 CO 0.06 0.88 0.00 0.52 -1.16 0.00 0.00 179.01 179.31 1oj8 h MET 23 N -0.16 0.00 0.00 2.33 2.86 -1.24 -1.36 114.93 117.37 1oj8 h MET 23 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1oj8 h MET 23 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1oj8 h MET 23 CO 0.06 0.00 0.00 0.36 1.06 0.00 0.00 176.91 178.39 1oj8 n LYS 24 N -3.00 0.01 -2.01 1.72 2.85 -1.25 -0.96 118.16 115.52 1oj8 n LYS 24 Ca -0.02 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.85 1oj8 n LYS 24 Cb 0.10 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 1oj8 n LYS 24 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1oj8 s LYS 25 N -2.99 3.77 0.56 -1.58 1.02 -0.51 -4.61 119.74 115.39 1oj8 s LYS 25 Ca 0.14 2.14 0.29 0.00 0.02 0.00 0.00 55.97 58.56 1oj8 s LYS 25 Cb 0.19 -2.61 1.46 0.00 -0.52 0.00 0.00 37.83 36.36 1oj8 s LYS 25 CO 0.52 -0.65 1.93 0.00 -0.92 0.00 0.00 175.35 176.23 1oj8 h ALA 26 N 2.34 2.46 -0.96 5.17 0.00 -1.88 0.45 119.26 126.83 1oj8 h ALA 26 Ca -0.50 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.48 1oj8 h ALA 26 Cb 1.26 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1oj8 h ALA 26 CO 0.61 -0.80 0.62 1.25 0.00 0.00 0.00 179.25 180.92 1oj8 h LEU 27 N 0.00 0.91 0.00 0.00 5.85 -1.91 -3.16 115.31 117.01 1oj8 h LEU 27 Ca 0.28 0.03 -0.25 0.00 0.84 0.00 0.00 57.88 58.78 1oj8 h LEU 27 Cb 1.27 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 1oj8 h LEU 27 CO -0.00 0.54 -2.00 0.49 -0.34 0.00 0.00 178.44 177.12 1oj8 n PHE 28 N -4.54 0.00 -4.07 1.25 3.72 0.55 -5.03 117.46 109.34 1oj8 n PHE 28 Ca 0.16 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.25 1oj8 n PHE 28 Cb 0.28 -0.70 -0.01 0.00 -0.94 0.00 0.00 39.48 38.10 1oj8 n PHE 28 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1oj8 n ASP 29 N -2.51 -2.51 -3.79 4.37 2.03 0.13 -2.11 116.55 112.16 1oj8 n ASP 29 Ca -0.22 -0.97 -0.29 0.00 0.52 0.00 0.00 54.79 53.83 1oj8 n ASP 29 Cb 0.93 -3.08 0.02 0.00 -0.72 0.00 0.00 41.12 38.28 1oj8 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oj8 s LYS 31 N -6.49 0.26 0.17 0.00 -2.85 -0.90 -4.89 119.74 105.05 1oj8 s LYS 31 Ca 0.61 0.57 -0.13 0.00 -1.00 0.00 0.00 55.97 56.02 1oj8 s LYS 31 Cb -0.31 -1.71 0.07 0.00 -2.06 0.00 0.00 37.83 33.82 1oj8 s LYS 31 CO 0.76 -2.86 1.80 0.87 0.10 0.00 0.00 175.35 176.02 1oj8 h LYS 32 N -1.99 0.76 -2.76 1.78 1.57 -1.93 -3.42 116.57 110.58 1oj8 h LYS 32 Ca -0.55 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.07 1oj8 h LYS 32 Cb 1.33 -0.16 -0.19 0.00 0.08 0.00 0.00 32.23 33.29 1oj8 h LYS 32 CO 0.56 0.56 -0.10 -0.08 -0.57 0.00 0.00 179.45 179.82 1oj8 s THR 33 N -5.96 0.04 -0.14 -0.16 -1.32 -1.26 -0.75 115.64 106.09 1oj8 s THR 33 Ca -0.13 -0.34 -0.09 0.00 -1.21 0.00 0.00 61.69 59.92 1oj8 s THR 33 Cb 0.12 -0.82 0.05 0.00 -1.51 0.00 0.00 72.50 70.34 1oj8 s THR 33 CO 0.76 -0.19 0.33 0.21 -2.21 0.00 0.00 174.62 173.52 1oj8 s ASN 34 N -1.51 -0.38 -0.12 8.08 2.47 -1.03 -5.02 114.94 117.43 1oj8 s ASN 34 Ca -0.10 0.71 -0.02 0.00 0.42 0.00 0.00 52.86 53.86 1oj8 s ASN 34 Cb -0.02 0.62 -0.03 0.00 -1.45 0.00 0.00 41.25 40.37 1oj8 s ASN 34 CO 0.04 -0.16 -0.04 -0.89 -3.72 0.00 0.00 177.10 172.33 1oj8 s THR 35 N 1.01 3.95 0.25 -5.21 2.01 -1.26 -1.37 115.64 115.02 1oj8 s THR 35 Ca -0.07 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 61.64 1oj8 s THR 35 Cb -0.07 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1oj8 s THR 35 CO -0.08 0.54 0.20 -0.36 -0.69 0.00 0.00 174.62 174.23 1oj8 s PHE 36 N -0.15 3.12 -0.15 4.92 0.40 0.48 -4.60 117.98 121.99 1oj8 s PHE 36 Ca 0.03 -0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 1oj8 s PHE 36 Cb -0.13 -1.41 0.01 0.00 0.51 0.00 0.00 43.02 42.00 1oj8 s PHE 36 CO 0.02 0.52 -0.19 0.42 0.70 0.00 0.00 175.22 176.69 1oj8 s ILE 37 N -2.12 2.29 -0.94 0.64 1.01 0.14 -3.16 121.20 119.07 1oj8 s ILE 37 Ca 0.33 -0.89 -0.23 0.00 0.00 0.00 0.00 60.65 59.86 1oj8 s ILE 37 Cb -0.08 -1.94 0.06 0.00 0.01 0.00 0.00 42.46 40.51 1oj8 s ILE 37 CO 0.25 0.53 1.34 0.12 0.00 0.00 0.00 174.94 177.18 1oj8 s PHE 38 N 0.89 2.60 -0.11 3.97 2.19 -0.71 -1.67 117.98 125.15 1oj8 s PHE 38 Ca -0.05 -0.79 -0.30 0.00 0.33 0.00 0.00 56.93 56.12 1oj8 s PHE 38 Cb -0.15 -4.59 0.12 0.00 -1.31 0.00 0.00 43.02 37.09 1oj8 s PHE 38 CO -0.03 -1.87 1.00 0.00 1.83 0.00 0.00 175.22 176.16 1oj8 s ALA 39 N 4.66 -1.92 0.48 11.12 0.00 -1.18 -4.59 121.76 130.33 1oj8 s ALA 39 Ca 0.41 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.60 1oj8 s ALA 39 Cb -0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 1oj8 s ALA 39 CO -0.05 -0.51 0.91 1.03 0.00 0.00 0.00 175.76 177.15 1oj8 s ARG 40 N -2.14 3.87 0.21 0.00 0.52 -1.26 -4.37 118.95 115.79 1oj8 s ARG 40 Ca 0.03 0.77 -0.10 0.00 -0.52 0.00 0.00 55.73 55.91 1oj8 s ARG 40 Cb -0.01 -2.22 0.31 0.00 0.52 0.00 0.00 34.95 33.55 1oj8 s ARG 40 CO -0.04 -0.21 1.68 -1.35 0.02 0.00 0.00 175.30 175.40 1oj8 h PRO 41 N 0.94 0.17 -0.76 3.54 0.11 -1.99 -2.86 132.00 131.15 1oj8 h PRO 41 Ca -0.47 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.77 1oj8 h PRO 41 Cb 1.19 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 1oj8 h PRO 41 CO 0.62 0.11 0.33 -1.35 -0.21 0.00 0.00 178.00 177.50 1oj8 h PRO 42 N 0.17 0.47 -0.54 1.05 0.11 -1.98 0.91 132.00 132.18 1oj8 h PRO 42 Ca 0.33 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 1oj8 h PRO 42 Cb 0.52 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1oj8 h PRO 42 CO -0.48 0.31 -0.04 -0.09 -0.21 0.00 0.00 178.00 177.49 1oj8 h ARG 43 N 0.48 0.99 -0.23 1.05 2.43 -1.90 -2.13 114.38 115.07 1oj8 h ARG 43 Ca 0.42 -0.33 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 1oj8 h ARG 43 Cb 0.61 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1oj8 h ARG 43 CO -0.38 1.01 -0.36 0.28 -1.51 0.00 0.00 179.97 179.01 1oj8 h VAL 44 N 0.86 1.32 -0.73 0.20 2.07 -1.42 -3.14 116.25 115.41 1oj8 h VAL 44 Ca 0.15 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.14 1oj8 h VAL 44 Cb 0.59 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 1oj8 h VAL 44 CO 0.04 0.49 0.48 -0.61 0.02 0.00 0.00 177.57 177.98 1oj8 h GLN 45 N 0.35 0.85 0.00 1.57 4.15 -0.75 -2.17 115.11 119.11 1oj8 h GLN 45 Ca 0.02 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1oj8 h GLN 45 Cb 0.95 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.44 1oj8 h GLN 45 CO 0.08 0.56 -0.01 0.00 -1.93 0.00 0.00 178.83 177.53 1oj8 h ALA 46 N 1.58 1.66 0.00 3.38 0.00 -1.33 -2.35 119.26 122.20 1oj8 h ALA 46 Ca 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1oj8 h ALA 46 Cb 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1oj8 h ALA 46 CO -0.08 0.02 -0.04 -0.07 0.00 0.00 0.00 179.25 179.08 1oj8 h LEU 47 N 0.00 0.00 -1.46 0.00 3.38 -1.46 -2.16 115.31 113.62 1oj8 h LEU 47 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oj8 h LEU 47 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1oj8 h LEU 47 CO 0.00 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1oj8 s LYS 49 N -1.73 4.25 -0.06 0.00 2.20 -0.81 -2.18 119.74 121.41 1oj8 s LYS 49 Ca 0.34 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 1oj8 s LYS 49 Cb 0.19 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1oj8 s LYS 49 CO 0.28 -0.63 0.00 0.09 -0.36 0.00 0.00 175.35 174.73 1oj8 n ASN 50 N 5.24 -3.65 -4.74 1.43 3.02 -1.26 -5.02 115.26 110.27 1oj8 n ASN 50 Ca 0.14 0.01 -0.37 0.00 -0.03 0.00 0.00 54.58 54.33 1oj8 n ASN 50 Cb 0.42 -1.20 -0.06 0.00 -0.61 0.00 0.00 39.78 38.33 1oj8 n ASN 50 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1oj8 s ILE 51 N -1.82 5.21 0.42 2.41 -1.09 -0.93 -5.04 121.20 120.36 1oj8 s ILE 51 Ca 0.00 0.77 -0.26 0.00 -2.23 0.00 0.00 60.65 58.92 1oj8 s ILE 51 Cb 0.00 -3.72 -0.09 0.00 -1.58 0.00 0.00 42.46 37.06 1oj8 s ILE 51 CO 0.00 0.39 1.47 -0.54 -1.23 0.00 0.00 174.94 175.03 1oj8 s LYS 52 N 0.28 3.85 0.37 2.79 1.02 -1.26 -4.59 119.74 122.20 1oj8 s LYS 52 Ca 0.22 2.51 -0.26 0.00 0.02 0.00 0.00 55.97 58.45 1oj8 s LYS 52 Cb -0.14 -2.78 -0.12 0.00 -0.52 0.00 0.00 37.83 34.27 1oj8 s LYS 52 CO 0.08 -0.72 1.15 0.09 -0.92 0.00 0.00 175.35 175.03 1oj8 n ASN 53 N 0.06 2.00 -2.35 2.83 3.02 -1.26 -2.34 115.26 117.22 1oj8 n ASN 53 Ca 0.03 1.13 -0.19 0.00 -0.03 0.00 0.00 54.58 55.53 1oj8 n ASN 53 Cb 0.40 -1.41 -0.01 0.00 -0.61 0.00 0.00 39.78 38.15 1oj8 n ASN 53 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1oj8 n ASN 54 N 0.67 -5.35 -4.41 6.41 5.15 0.10 -4.98 115.26 112.85 1oj8 n ASN 54 Ca 0.07 0.07 -0.21 0.00 -0.60 0.00 0.00 54.58 53.91 1oj8 n ASN 54 Cb 0.37 -4.49 -0.10 0.00 -0.53 0.00 0.00 39.78 35.02 1oj8 n ASN 54 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1oj8 s THR 55 N -2.90 2.03 0.15 -0.44 -4.23 -0.99 -4.92 115.64 104.35 1oj8 s THR 55 Ca 0.00 -2.28 -0.02 0.00 -1.18 0.00 0.00 61.69 58.21 1oj8 s THR 55 Cb 0.00 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 1oj8 s THR 55 CO 0.00 -0.47 0.35 0.20 -0.54 0.00 0.00 174.62 174.16 1oj8 s ASN 56 N -3.42 6.43 0.01 3.99 0.02 -1.26 -1.54 114.94 119.18 1oj8 s ASN 56 Ca 0.26 0.46 0.02 0.00 -1.02 0.00 0.00 52.86 52.59 1oj8 s ASN 56 Cb -0.02 -2.04 -0.01 0.00 0.02 0.00 0.00 41.25 39.20 1oj8 s ASN 56 CO 0.11 0.04 -0.07 0.54 0.02 0.00 0.00 177.10 177.73 1oj8 s VAL 57 N -1.71 0.55 -0.19 1.60 0.11 0.05 -4.96 120.40 115.86 1oj8 s VAL 57 Ca 0.39 -0.53 -0.05 0.00 -2.93 0.00 0.00 61.98 58.85 1oj8 s VAL 57 Cb -0.12 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 1oj8 s VAL 57 CO 0.27 -0.01 0.01 -0.22 -3.33 0.00 0.00 175.10 171.82 1oj8 s LEU 58 N -0.59 3.39 0.59 2.54 2.96 -1.26 -0.99 118.68 125.31 1oj8 s LEU 58 Ca -0.01 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.60 1oj8 s LEU 58 Cb -0.05 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1oj8 s LEU 58 CO 0.00 0.11 1.16 -0.94 -1.32 0.00 0.00 176.35 175.36 1oj8 s SER 59 N 0.73 5.33 -0.05 3.68 1.04 -0.06 -4.93 113.70 119.44 1oj8 s SER 59 Ca 0.01 2.25 -0.01 0.00 0.48 0.00 0.00 55.95 58.68 1oj8 s SER 59 Cb -0.14 -2.58 -0.26 0.00 0.10 0.00 0.00 66.02 63.13 1oj8 s SER 59 CO 0.02 -1.49 0.63 0.03 0.98 0.00 0.00 173.24 173.42 1oj8 h ARG 60 N 0.83 0.20 -7.20 4.02 3.08 -1.98 -3.42 114.38 109.92 1oj8 h ARG 60 Ca -0.50 -0.35 -0.50 0.00 0.07 0.00 0.00 59.98 58.71 1oj8 h ARG 60 Cb 1.28 0.13 0.04 0.00 0.08 0.00 0.00 29.97 31.49 1oj8 h ARG 60 CO 0.55 1.01 0.33 0.34 -1.07 0.00 0.00 179.97 181.13 1oj8 s ASP 61 N -6.81 6.37 0.15 7.04 -1.08 -1.26 -4.96 116.67 116.13 1oj8 s ASP 61 Ca -0.13 1.36 0.00 0.00 -0.52 0.00 0.00 52.55 53.26 1oj8 s ASP 61 Cb 0.07 -2.43 -0.04 0.00 -1.46 0.00 0.00 42.92 39.06 1oj8 s ASP 61 CO 0.82 -0.70 0.32 0.68 0.52 0.00 0.00 175.17 176.81 1oj8 s VAL 62 N -2.88 5.28 0.11 1.11 -7.23 -1.26 -4.37 120.40 111.16 1oj8 s VAL 62 Ca 0.54 -0.47 0.04 0.00 -1.81 0.00 0.00 61.98 60.28 1oj8 s VAL 62 Cb -0.11 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 1oj8 s VAL 62 CO 0.44 -0.07 -0.10 -0.36 -0.31 0.00 0.00 175.10 174.69 1oj8 s PHE 63 N -1.74 1.10 0.01 2.82 0.40 0.47 -4.90 117.98 116.14 1oj8 s PHE 63 Ca 0.36 -0.67 -0.22 0.00 -0.60 0.00 0.00 56.93 55.80 1oj8 s PHE 63 Cb -0.11 -0.60 -0.05 0.00 0.51 0.00 0.00 43.02 42.77 1oj8 s PHE 63 CO 0.28 0.01 0.66 -0.47 0.70 0.00 0.00 175.22 176.41 1oj8 s TYR 64 N -2.58 3.70 -0.53 0.36 5.04 -1.26 -1.43 117.35 120.65 1oj8 s TYR 64 Ca 0.07 1.30 0.04 0.00 -2.44 0.00 0.00 57.07 56.05 1oj8 s TYR 64 Cb -0.02 -2.69 0.14 0.00 0.35 0.00 0.00 41.96 39.74 1oj8 s TYR 64 CO 0.00 0.32 0.29 -0.51 -1.34 0.00 0.00 175.55 174.31 1oj8 s LEU 65 N -0.14 3.98 0.33 6.97 1.43 0.11 -1.74 118.68 129.62 1oj8 s LEU 65 Ca 0.34 -3.06 -0.29 0.00 -1.03 0.00 0.00 54.13 50.09 1oj8 s LEU 65 Cb -0.19 -1.49 -0.11 0.00 0.03 0.00 0.00 46.19 44.44 1oj8 s LEU 65 CO 0.19 -0.22 1.42 -2.84 0.23 0.00 0.00 176.35 175.13 1oj8 s PRO 66 N -0.32 4.23 -0.05 1.29 0.02 -1.19 -3.29 135.00 135.69 1oj8 s PRO 66 Ca 0.19 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1oj8 s PRO 66 Cb -0.22 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.29 1oj8 s PRO 66 CO -0.03 -0.39 -0.03 -1.14 -0.33 0.00 0.00 177.00 175.09 1oj8 s GLN 67 N -1.57 0.73 -0.25 5.54 0.74 0.54 -0.39 119.66 125.00 1oj8 s GLN 67 Ca 0.53 -0.03 -0.16 0.00 0.05 0.00 0.00 55.36 55.75 1oj8 s GLN 67 Cb -0.43 -0.87 -0.03 0.00 1.10 0.00 0.00 33.01 32.78 1oj8 s GLN 67 CO 0.55 -0.16 0.42 0.00 -0.55 0.00 0.00 175.29 175.55 1oj8 s ASN 69 N 1.43 3.15 0.19 0.00 0.01 -0.66 -2.46 114.94 116.60 1oj8 s ASN 69 Ca 0.18 -0.62 -0.32 0.00 -0.71 0.00 0.00 52.86 51.39 1oj8 s ASN 69 Cb -0.15 -1.47 -0.12 0.00 0.41 0.00 0.00 41.25 39.92 1oj8 s ASN 69 CO 0.09 0.05 1.74 -1.14 -1.51 0.00 0.00 177.10 176.33 1oj8 n ARG 70 N 4.29 2.77 -0.04 -0.60 0.63 0.07 -1.42 116.66 122.37 1oj8 n ARG 70 Ca -0.20 1.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.67 1oj8 n ARG 70 Cb 0.51 -2.86 -0.03 0.00 0.45 0.00 0.00 32.46 30.53 1oj8 n ARG 70 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1oj8 n LYS 71 N 4.25 0.19 -4.31 -0.14 0.00 0.98 -4.89 118.16 114.24 1oj8 n LYS 71 Ca 0.16 0.05 -0.19 0.00 0.00 0.00 0.00 58.31 58.34 1oj8 n LYS 71 Cb 0.35 -1.11 -0.15 0.00 0.00 0.00 0.00 35.03 34.12 1oj8 n LYS 71 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1oj8 s LYS 72 N -2.15 0.74 0.52 1.64 1.02 -0.87 -5.03 119.74 115.60 1oj8 s LYS 72 Ca -0.10 -0.27 -0.20 0.00 0.02 0.00 0.00 55.97 55.42 1oj8 s LYS 72 Cb 0.03 -0.71 -0.07 0.00 -0.52 0.00 0.00 37.83 36.56 1oj8 s LYS 72 CO 0.17 0.13 1.10 -0.51 -0.92 0.00 0.00 175.35 175.32 1oj8 s LEU 73 N 0.04 3.80 0.14 3.17 1.43 -1.26 -1.31 118.68 124.70 1oj8 s LEU 73 Ca -0.00 2.10 0.21 0.00 -1.03 0.00 0.00 54.13 55.41 1oj8 s LEU 73 Cb -0.06 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.54 1oj8 s LEU 73 CO -0.00 -1.04 0.92 -0.81 0.23 0.00 0.00 176.35 175.64 1oj8 n PRO 74 N -1.12 0.62 -2.76 1.29 -0.04 -1.26 -4.75 135.00 126.97 1oj8 n PRO 74 Ca 0.10 0.12 -0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1oj8 n PRO 74 Cb 0.51 -1.79 0.07 0.00 -0.04 0.00 0.00 33.50 32.25 1oj8 n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1oj8 s HIS 76 N -2.84 3.12 0.37 0.00 5.04 -0.43 -4.76 115.29 115.79 1oj8 s HIS 76 Ca 0.23 -0.18 0.08 0.00 -1.54 0.00 0.00 55.06 53.65 1oj8 s HIS 76 Cb 0.35 -2.04 -0.07 0.00 0.04 0.00 0.00 32.58 30.86 1oj8 s HIS 76 CO -0.06 -0.00 -0.04 0.71 -2.34 0.00 0.00 174.74 173.00 1oj8 s TYR 77 N 0.51 2.40 -0.05 3.88 1.51 -1.26 -0.01 117.35 124.34 1oj8 s TYR 77 Ca -0.00 -0.61 0.06 0.00 -1.01 0.00 0.00 57.07 55.51 1oj8 s TYR 77 Cb -0.14 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1oj8 s TYR 77 CO 0.02 0.48 -0.22 0.50 -1.11 0.00 0.00 175.55 175.22 1oj8 s ARG 78 N -3.67 2.14 -0.15 -0.62 3.52 -0.51 -4.83 118.95 114.84 1oj8 s ARG 78 Ca 0.34 -0.77 -0.24 0.00 -0.13 0.00 0.00 55.73 54.92 1oj8 s ARG 78 Cb 0.06 -1.86 -0.02 0.00 -1.56 0.00 0.00 34.95 31.57 1oj8 s ARG 78 CO 0.17 0.34 0.75 -1.17 -0.81 0.00 0.00 175.30 174.59 1oj8 s LEU 79 N -0.14 4.21 0.42 -0.88 2.96 -1.26 -1.65 118.68 122.34 1oj8 s LEU 79 Ca -0.02 1.11 0.05 0.00 -0.22 0.00 0.00 54.13 55.05 1oj8 s LEU 79 Cb -0.12 -3.12 -0.05 0.00 0.50 0.00 0.00 46.19 43.39 1oj8 s LEU 79 CO 0.02 -0.30 0.02 -1.81 -1.32 0.00 0.00 176.35 172.97 1oj8 s ASP 80 N 1.07 3.62 0.14 3.68 1.01 0.67 -4.96 116.67 121.90 1oj8 s ASP 80 Ca 0.36 -1.48 -0.24 0.00 0.71 0.00 0.00 52.55 51.91 1oj8 s ASP 80 Cb -0.17 -0.02 0.07 0.00 1.01 0.00 0.00 42.92 43.82 1oj8 s ASP 80 CO 0.14 -0.63 0.63 -0.83 0.21 0.00 0.00 175.17 174.69 1oj8 s GLY 81 N -3.71 -0.60 0.12 0.21 0.00 -1.26 -0.34 107.32 101.73 1oj8 s GLY 81 Ca 0.26 0.56 -0.26 0.00 0.00 0.00 0.00 44.72 45.28 1oj8 s GLY 81 CO 0.13 0.19 0.99 -1.35 0.00 0.00 0.00 173.10 173.05 1oj8 s SER 82 N -2.71 -0.18 -0.01 1.64 1.04 -1.21 -4.99 113.70 107.29 1oj8 s SER 82 Ca 0.01 -0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.17 1oj8 s SER 82 Cb -0.01 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1oj8 s SER 82 CO -0.12 -0.81 -0.20 0.42 0.98 0.00 0.00 173.24 173.50 1oj8 s THR 83 N -3.18 1.62 0.10 2.02 -4.23 -1.26 0.08 115.64 110.79 1oj8 s THR 83 Ca 0.12 -0.92 -0.25 0.00 -1.18 0.00 0.00 61.69 59.45 1oj8 s THR 83 Cb -0.01 -1.35 0.09 0.00 1.34 0.00 0.00 72.50 72.56 1oj8 s THR 83 CO 0.00 0.42 1.13 0.21 -0.54 0.00 0.00 174.62 175.84 1oj8 s ASN 84 N -0.59 -0.02 0.50 3.99 3.04 -0.51 -4.91 114.94 116.43 1oj8 s ASN 84 Ca 0.08 -0.44 -0.11 0.00 0.04 0.00 0.00 52.86 52.42 1oj8 s ASN 84 Cb -0.08 0.36 -0.06 0.00 -1.54 0.00 0.00 41.25 39.93 1oj8 s ASN 84 CO -0.00 -0.70 0.89 0.42 -3.04 0.00 0.00 177.10 174.67 1oj8 s THR 85 N -2.27 4.74 0.08 -5.21 -4.23 -1.26 -0.40 115.64 107.08 1oj8 s THR 85 Ca 0.22 0.73 0.09 0.00 -1.18 0.00 0.00 61.69 61.55 1oj8 s THR 85 Cb -0.01 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 1oj8 s THR 85 CO 0.02 -0.78 -0.25 0.27 -0.54 0.00 0.00 174.62 173.34 1oj8 s ILE 86 N -2.71 2.06 -0.22 2.99 -5.25 -1.26 -1.09 121.20 115.73 1oj8 s ILE 86 Ca 0.53 -1.50 -0.04 0.00 -0.99 0.00 0.00 60.65 58.65 1oj8 s ILE 86 Cb -0.10 -1.80 -0.01 0.00 2.95 0.00 0.00 42.46 43.50 1oj8 s ILE 86 CO 0.40 0.20 -0.04 0.00 -1.79 0.00 0.00 174.94 173.71 1oj8 s LEU 88 N 1.47 2.41 -0.08 0.00 1.43 -0.17 -0.34 118.68 123.40 1oj8 s LEU 88 Ca 0.06 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.29 1oj8 s LEU 88 Cb -0.14 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 1oj8 s LEU 88 CO -0.03 0.18 0.37 -0.89 0.23 0.00 0.00 176.35 176.21 1oj8 s THR 89 N -1.12 5.17 0.09 5.49 2.01 -0.60 -0.77 115.64 125.91 1oj8 s THR 89 Ca 0.15 0.75 0.07 0.00 0.31 0.00 0.00 61.69 62.97 1oj8 s THR 89 Cb -0.10 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1oj8 s THR 89 CO 0.07 0.47 -0.14 0.00 -0.69 0.00 0.00 174.62 174.33 1oj8 s MET 91 N -2.00 0.25 -1.43 0.00 -2.45 -0.32 0.00 119.30 113.36 1oj8 s MET 91 Ca 0.19 0.91 -0.09 0.00 -1.25 0.00 0.00 55.69 55.45 1oj8 s MET 91 Cb -0.11 0.17 0.05 0.00 1.25 0.00 0.00 34.83 36.19 1oj8 s MET 91 CO 0.10 -0.26 0.92 1.63 1.05 0.00 0.00 175.02 178.47 1oj8 n LYS 92 N 5.33 -5.67 -2.05 4.11 4.76 -1.26 -1.64 118.16 121.75 1oj8 n LYS 92 Ca -0.08 0.64 -0.20 0.00 -2.87 0.00 0.00 58.31 55.80 1oj8 n LYS 92 Cb 0.50 -5.45 -0.04 0.00 -1.84 0.00 0.00 35.03 28.19 1oj8 n LYS 92 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1oj8 n GLU 93 N -4.58 -1.61 -4.78 1.97 1.02 -1.26 -4.99 120.64 106.41 1oj8 n GLU 93 Ca -0.08 1.07 -0.24 0.00 -0.02 0.00 0.00 57.16 57.89 1oj8 n GLU 93 Cb 0.58 -5.61 -0.15 0.00 -0.02 0.00 0.00 31.44 26.24 1oj8 n GLU 93 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1oj8 s LEU 94 N -5.42 2.00 0.19 -4.62 1.02 -0.65 -4.44 118.68 106.76 1oj8 s LEU 94 Ca 0.00 -0.30 -0.30 0.00 0.02 0.00 0.00 54.13 53.54 1oj8 s LEU 94 Cb 0.00 -0.86 -0.09 0.00 0.02 0.00 0.00 46.19 45.26 1oj8 s LEU 94 CO 0.00 0.19 1.31 -2.84 0.02 0.00 0.00 176.35 175.03 1oj8 s PRO 95 N -0.29 4.38 0.00 1.29 0.02 -1.26 -1.17 135.00 137.97 1oj8 s PRO 95 Ca 0.04 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.12 1oj8 s PRO 95 Cb -0.07 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1oj8 s PRO 95 CO -0.00 -0.27 0.00 0.44 -0.33 0.00 0.00 177.00 176.84 1oj8 n ILE 96 N 2.73 0.00 -3.76 2.83 -5.35 0.08 -3.78 119.36 112.11 1oj8 n ILE 96 Ca 0.06 -0.28 -0.13 0.00 -0.27 0.00 0.00 62.75 62.13 1oj8 n ILE 96 Cb 0.43 0.82 -0.09 0.00 -1.74 0.00 0.00 39.64 39.06 1oj8 n ILE 96 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1oj8 s HIS 97 N -1.05 -0.19 -0.68 4.28 3.76 -1.21 -3.92 115.29 116.28 1oj8 s HIS 97 Ca 0.00 0.29 -0.16 0.00 -0.15 0.00 0.00 55.06 55.03 1oj8 s HIS 97 Cb 0.00 0.10 0.15 0.00 1.11 0.00 0.00 32.58 33.94 1oj8 s HIS 97 CO 0.00 -0.39 0.70 0.12 -0.85 0.00 0.00 174.74 174.32 1oj8 s PHE 98 N -1.29 3.34 0.01 1.40 2.19 -1.26 -1.56 117.98 120.80 1oj8 s PHE 98 Ca -0.13 -1.45 -0.23 0.00 0.33 0.00 0.00 56.93 55.45 1oj8 s PHE 98 Cb -0.05 -3.91 -0.18 0.00 -1.31 0.00 0.00 43.02 37.58 1oj8 s PHE 98 CO 0.04 -1.12 1.29 0.00 1.83 0.00 0.00 175.22 177.25 1oj8 h ALA 99 N 8.60 0.11 -1.98 11.12 0.00 -1.01 -3.49 119.26 132.61 1oj8 h ALA 99 Ca -0.12 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.59 1oj8 h ALA 99 Cb 1.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1oj8 h ALA 99 CO 0.97 -0.06 0.35 0.41 0.00 0.00 0.00 179.25 180.92 1oj8 n GLY 100 N 0.28 0.80 3.03 0.00 0.00 -0.94 -4.78 105.19 103.57 1oj8 n GLY 100 Ca -0.07 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 1oj8 n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1oj8 s VAL 101 N -2.25 0.55 0.00 1.61 -7.23 -1.26 -0.40 120.40 111.42 1oj8 s VAL 101 Ca 0.13 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1oj8 s VAL 101 Cb -0.01 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.39 1oj8 s VAL 101 CO 0.02 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1oj8 n GLY 102 N 2.14 2.48 3.53 2.32 0.00 -0.25 -4.82 105.19 110.58 1oj8 n GLY 102 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 1oj8 n GLY 102 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oj8 s LYS 103 N 0.00 0.69 0.25 1.61 2.20 -1.26 -4.90 119.74 118.33 1oj8 s LYS 103 Ca 0.00 -0.25 -0.09 0.00 -0.36 0.00 0.00 55.97 55.27 1oj8 s LYS 103 Cb 0.00 0.32 -0.07 0.00 -1.51 0.00 0.00 37.83 36.57 1oj8 s LYS 103 CO 0.00 -0.30 0.57 0.00 -0.36 0.00 0.00 175.35 175.26