#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dr0 s ASP 2 N 0.00 4.79 0.36 0.00 -1.08 -1.26 -4.97 116.67 114.50 3dr0 s ASP 2 Ca 0.00 -2.33 0.04 0.00 -0.52 0.00 0.00 52.55 49.74 3dr0 s ASP 2 Cb 0.00 -1.68 0.67 0.00 -1.46 0.00 0.00 42.92 40.45 3dr0 s ASP 2 CO 0.00 -0.38 1.95 0.00 0.52 0.00 0.00 175.17 177.26 3dr0 h ALA 3 N 7.45 1.48 -0.30 3.66 0.00 -1.88 -0.52 119.26 129.16 3dr0 h ALA 3 Ca -0.06 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3dr0 h ALA 3 Cb 1.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3dr0 h ALA 3 CO 0.59 0.40 0.17 0.00 0.00 0.00 0.00 179.25 180.40 3dr0 h ALA 4 N 1.58 0.37 -0.11 0.00 0.00 -1.93 -1.70 119.26 117.46 3dr0 h ALA 4 Ca 0.15 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3dr0 h ALA 4 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3dr0 h ALA 4 CO -0.01 -0.21 -0.27 0.00 0.00 0.00 0.00 179.25 178.76 3dr0 h ALA 5 N 1.14 1.35 -0.13 0.00 0.00 -1.84 -2.44 119.26 117.33 3dr0 h ALA 5 Ca 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3dr0 h ALA 5 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3dr0 h ALA 5 CO -0.07 0.45 0.04 0.78 0.00 0.00 0.00 179.25 180.45 3dr0 h GLY 6 N 0.97 0.19 1.38 0.00 0.00 -0.24 -1.30 103.07 104.08 3dr0 h GLY 6 Ca 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.29 3dr0 h GLY 6 CO 0.04 0.08 0.40 0.00 0.00 0.00 0.00 176.54 177.06 3dr0 h ALA 7 N 1.86 1.59 -0.09 3.60 0.00 -0.85 -0.32 119.26 125.06 3dr0 h ALA 7 Ca 0.05 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3dr0 h ALA 7 Cb 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3dr0 h ALA 7 CO -0.00 0.37 -0.52 1.96 0.00 0.00 0.00 179.25 181.06 3dr0 h GLN 8 N 0.79 0.50 -0.75 0.00 4.20 -1.35 -1.70 115.11 116.82 3dr0 h GLN 8 Ca 0.23 -0.43 0.05 0.00 0.06 0.00 0.00 58.65 58.56 3dr0 h GLN 8 Cb -0.06 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 3dr0 h GLN 8 CO -0.05 1.06 0.45 0.28 -0.67 0.00 0.00 178.83 179.89 3dr0 h VAL 9 N 0.08 1.03 -0.19 -0.54 2.07 -1.12 -1.80 116.25 115.78 3dr0 h VAL 9 Ca -0.04 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3dr0 h VAL 9 Cb 1.17 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3dr0 h VAL 9 CO 0.11 0.15 0.11 0.15 0.02 0.00 0.00 177.57 178.11 3dr0 h PHE 10 N 0.83 0.26 -0.94 1.57 3.04 -1.01 -1.07 116.94 119.61 3dr0 h PHE 10 Ca 0.32 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.32 3dr0 h PHE 10 Cb 0.14 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.50 3dr0 h PHE 10 CO -0.05 0.23 0.60 0.00 -2.02 0.00 0.00 178.31 177.07 3dr0 h ALA 11 N 1.01 1.29 0.00 2.41 0.00 -0.93 0.61 119.26 123.65 3dr0 h ALA 11 Ca 0.07 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3dr0 h ALA 11 Cb 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3dr0 h ALA 11 CO -0.01 0.41 -0.52 0.00 0.00 0.00 0.00 179.25 179.12 3dr0 h ALA 12 N 1.42 0.73 0.00 0.00 0.00 -1.01 -3.39 119.26 117.01 3dr0 h ALA 12 Ca 0.40 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dr0 h ALA 12 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dr0 h ALA 12 CO -0.16 0.66 -0.23 0.09 0.00 0.00 0.00 179.25 179.61 3dr0 n ASN 13 N -3.34 1.14 0.00 0.00 3.02 -0.44 -4.92 115.26 110.73 3dr0 n ASN 13 Ca 0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 3dr0 n ASN 13 Cb 0.69 0.50 0.00 0.00 -0.61 0.00 0.00 39.78 40.35 3dr0 n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dr0 h ALA 15 N 0.00 1.00 -0.51 0.00 0.00 -1.55 -0.17 119.26 118.03 3dr0 h ALA 15 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3dr0 h ALA 15 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3dr0 h ALA 15 CO 0.00 0.00 0.34 0.00 0.00 0.00 0.00 179.25 179.59 3dr0 h ALA 16 N 2.05 1.84 0.00 0.00 0.00 -1.86 -2.63 119.26 118.66 3dr0 h ALA 16 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dr0 h ALA 16 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dr0 h ALA 16 CO 0.00 0.09 -0.72 0.00 0.00 0.00 0.00 179.25 178.61 3dr0 n HIS 18 N -1.38 0.26 -1.61 0.00 8.25 -0.12 -0.64 115.22 119.97 3dr0 n HIS 18 Ca -0.00 -1.37 -0.46 0.00 -0.26 0.00 0.00 57.72 55.64 3dr0 n HIS 18 Cb 0.07 -0.24 -0.02 0.00 1.12 0.00 0.00 29.99 30.92 3dr0 n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dr0 n ALA 19 N -0.74 -0.04 -0.99 -1.41 0.00 -0.99 -0.91 120.51 115.44 3dr0 n ALA 19 Ca 0.18 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3dr0 n ALA 19 Cb 0.81 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3dr0 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dr0 n GLY 20 N 1.60 0.27 2.09 0.00 0.00 -1.26 -2.25 105.19 105.64 3dr0 n GLY 20 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 3dr0 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dr0 n GLY 21 N -1.09 0.46 0.00 -0.02 0.00 -0.08 -4.86 105.19 99.61 3dr0 n GLY 21 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3dr0 n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dr0 n ASN 22 N 0.09 0.00 -3.52 1.61 3.02 -0.96 -0.30 115.26 115.21 3dr0 n ASN 22 Ca -0.00 -0.38 -0.20 0.00 -0.03 0.00 0.00 54.58 53.96 3dr0 n ASN 22 Cb 0.05 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.08 3dr0 n ASN 22 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3dr0 s ASN 23 N -1.00 1.71 0.42 6.41 3.84 -1.26 -4.28 114.94 120.79 3dr0 s ASN 23 Ca 0.00 -0.39 0.21 0.00 0.21 0.00 0.00 52.86 52.89 3dr0 s ASN 23 Cb 0.00 0.21 0.88 0.00 -0.55 0.00 0.00 41.25 41.79 3dr0 s ASN 23 CO 0.00 -0.34 1.82 0.00 -2.79 0.00 0.00 177.10 175.79 3dr0 h ALA 24 N 8.34 1.08 0.10 1.71 0.00 -1.23 -3.11 119.26 126.14 3dr0 h ALA 24 Ca -0.17 -0.26 -0.35 0.00 0.00 0.00 0.00 54.91 54.13 3dr0 h ALA 24 Cb 1.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3dr0 h ALA 24 CO 0.29 0.36 -1.90 0.28 0.00 0.00 0.00 179.25 178.29 3dr0 n VAL 25 N -3.55 1.73 -3.55 0.00 0.31 -1.26 -4.72 118.33 107.28 3dr0 n VAL 25 Ca -0.01 -0.55 -0.29 0.00 -0.01 0.00 0.00 64.34 63.49 3dr0 n VAL 25 Cb 0.43 -1.78 -0.12 0.00 -0.91 0.00 0.00 33.84 31.47 3dr0 n VAL 25 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3dr0 s MET 26 N -2.52 1.02 0.57 5.55 -2.45 -1.24 -5.04 119.30 115.18 3dr0 s MET 26 Ca -0.24 -1.90 0.28 0.00 -1.25 0.00 0.00 55.69 52.58 3dr0 s MET 26 Cb 0.07 -1.81 1.49 0.00 1.25 0.00 0.00 34.83 35.83 3dr0 s MET 26 CO 0.73 -1.25 1.98 -1.35 1.05 0.00 0.00 175.02 176.18 3dr0 h PRO 27 N 6.43 0.00 -0.00 4.11 0.11 -1.83 -1.56 132.00 139.26 3dr0 h PRO 27 Ca 0.10 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 3dr0 h PRO 27 Cb 0.92 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3dr0 h PRO 27 CO 0.39 0.00 -0.56 0.00 -0.21 0.00 0.00 178.00 177.62 3dr0 h THR 28 N 0.00 1.40 -1.92 -1.15 1.03 -1.96 -3.37 112.91 106.94 3dr0 h THR 28 Ca 0.21 -1.93 -0.77 0.00 -0.01 0.00 0.00 66.41 63.90 3dr0 h THR 28 Cb 0.99 2.04 -0.19 0.00 -1.07 0.00 0.00 68.15 69.91 3dr0 h THR 28 CO -0.00 0.55 1.60 0.29 -0.01 0.00 0.00 175.52 177.95 3dr0 n LYS 29 N -3.87 3.85 -1.95 0.00 5.02 -0.59 -4.83 118.16 115.80 3dr0 n LYS 29 Ca -0.01 -3.86 -0.30 0.00 -2.02 0.00 0.00 58.31 52.12 3dr0 n LYS 29 Cb 0.57 -2.80 0.19 0.00 -0.02 0.00 0.00 35.03 32.97 3dr0 n LYS 29 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3dr0 s THR 30 N -0.50 2.00 -0.32 -0.18 -4.23 -1.26 -4.61 115.64 106.54 3dr0 s THR 30 Ca 0.37 -0.01 0.10 0.00 -1.18 0.00 0.00 61.69 60.97 3dr0 s THR 30 Cb 0.07 -2.99 0.75 0.00 1.34 0.00 0.00 72.50 71.67 3dr0 s THR 30 CO 0.03 0.00 1.78 0.18 -0.54 0.00 0.00 174.62 176.08 3dr0 n LEU 31 N -3.78 6.00 -4.94 4.79 4.77 0.59 -4.29 117.00 120.14 3dr0 n LEU 31 Ca 0.16 -3.11 -0.24 0.00 -0.03 0.00 0.00 56.01 52.79 3dr0 n LEU 31 Cb 0.59 -0.74 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 3dr0 n LEU 31 CO 0.45 0.76 0.18 -0.54 -1.33 0.00 0.00 177.39 176.91 3dr0 s LYS 32 N -2.90 3.48 0.29 3.23 -0.14 -1.25 -4.46 119.74 117.99 3dr0 s LYS 32 Ca 0.54 -0.33 -0.03 0.00 -1.36 0.00 0.00 55.97 54.79 3dr0 s LYS 32 Cb 0.43 -2.66 0.41 0.00 -1.68 0.00 0.00 37.83 34.33 3dr0 s LYS 32 CO 0.14 0.14 1.96 0.00 -0.76 0.00 0.00 175.35 176.83 3dr0 h ALA 33 N 0.74 1.39 0.02 5.17 0.00 -1.94 -0.83 119.26 123.80 3dr0 h ALA 33 Ca -0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 3dr0 h ALA 33 Cb 1.22 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3dr0 h ALA 33 CO 0.61 0.57 -0.01 0.38 0.00 0.00 0.00 179.25 180.80 3dr0 h ASP 34 N 1.16 -0.02 -0.50 0.00 2.03 -1.94 -2.36 116.42 114.78 3dr0 h ASP 34 Ca 0.31 -0.30 -0.03 0.00 -0.73 0.00 0.00 57.03 56.28 3dr0 h ASP 34 Cb -0.13 0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 38.35 3dr0 h ASP 34 CO -0.07 0.29 0.18 0.00 -1.03 0.00 0.00 179.24 178.61 3dr0 h ALA 35 N 0.64 0.66 -0.51 4.15 0.00 -1.80 -1.95 119.26 120.45 3dr0 h ALA 35 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3dr0 h ALA 35 Cb 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3dr0 h ALA 35 CO 0.00 0.29 0.31 -0.07 0.00 0.00 0.00 179.25 179.78 3dr0 h LEU 36 N 0.68 0.49 -1.16 0.00 3.38 -1.19 0.14 115.31 117.65 3dr0 h LEU 36 Ca 0.16 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3dr0 h LEU 36 Cb 0.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3dr0 h LEU 36 CO -0.01 0.35 -0.25 0.50 0.09 0.00 0.00 178.44 179.12 3dr0 h LYS 37 N 0.61 0.28 -0.20 1.13 1.63 -1.26 -1.15 116.57 117.60 3dr0 h LYS 37 Ca 0.21 -0.09 -0.13 0.00 -0.85 0.00 0.00 60.65 59.79 3dr0 h LYS 37 Cb 0.03 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3dr0 h LYS 37 CO -0.10 0.51 -0.38 1.15 -3.45 0.00 0.00 179.45 177.18 3dr0 h THR 38 N 0.25 1.33 0.00 1.00 2.02 -0.77 -3.37 112.91 113.36 3dr0 h THR 38 Ca 0.04 -1.61 -0.19 0.00 0.77 0.00 0.00 66.41 65.42 3dr0 h THR 38 Cb 0.58 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 3dr0 h THR 38 CO 0.04 0.50 -1.72 -1.22 0.37 0.00 0.00 175.52 173.49 3dr0 n TYR 39 N -4.26 0.00 -2.63 3.16 4.01 -0.02 -4.93 117.16 112.50 3dr0 n TYR 39 Ca -0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.25 3dr0 n TYR 39 Cb 0.53 -0.51 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 3dr0 n TYR 39 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3dr0 s LEU 40 N -4.79 4.13 0.20 7.72 2.96 -0.44 -4.94 118.68 123.52 3dr0 s LEU 40 Ca -0.05 1.44 -0.31 0.00 -0.22 0.00 0.00 54.13 54.99 3dr0 s LEU 40 Cb 0.03 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 43.03 3dr0 s LEU 40 CO 0.42 -0.65 1.12 0.00 -1.32 0.00 0.00 176.35 175.92 3dr0 n ALA 41 N 6.18 -0.63 0.00 5.97 0.00 -1.26 -1.11 120.51 129.66 3dr0 n ALA 41 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3dr0 n ALA 41 Cb 0.46 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.89 3dr0 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dr0 n GLY 42 N 1.83 1.90 0.26 0.00 0.00 -1.26 -4.53 105.19 103.39 3dr0 n GLY 42 Ca 0.14 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 3dr0 n GLY 42 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dr0 h TYR 43 N 0.00 0.77 0.00 1.61 3.20 -1.63 -1.14 116.97 119.78 3dr0 h TYR 43 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3dr0 h TYR 43 Cb 0.00 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 3dr0 h TYR 43 CO 0.00 0.46 -0.10 1.57 -1.64 0.00 0.00 178.16 178.45 3dr0 h LYS 44 N 0.82 0.00 -0.28 1.82 2.10 -1.29 -2.61 116.57 117.13 3dr0 h LYS 44 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3dr0 h LYS 44 Cb -0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 3dr0 h LYS 44 CO -0.09 0.10 0.00 -0.40 -2.00 0.00 0.00 179.45 177.06 3dr0 n ASP 45 N -3.84 3.04 -0.15 7.07 5.68 -1.18 -4.96 116.55 122.20 3dr0 n ASP 45 Ca -0.02 -2.27 -0.02 0.00 -0.50 0.00 0.00 54.79 51.97 3dr0 n ASP 45 Cb 0.20 -0.29 -0.01 0.00 -1.14 0.00 0.00 41.12 39.88 3dr0 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dr0 n GLY 46 N 0.10 0.53 0.02 6.12 0.00 -0.98 -4.91 105.19 106.07 3dr0 n GLY 46 Ca 0.13 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3dr0 n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dr0 n SER 47 N 0.29 0.62 -3.95 1.61 3.41 -0.48 -4.90 113.62 110.23 3dr0 n SER 47 Ca -0.02 -0.25 -0.09 0.00 -0.26 0.00 0.00 58.87 58.24 3dr0 n SER 47 Cb 0.14 0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 3dr0 n SER 47 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dr0 s LYS 48 N -3.10 0.40 0.81 4.33 1.02 -0.93 -4.96 119.74 117.31 3dr0 s LYS 48 Ca 0.07 -0.60 -0.10 0.00 0.02 0.00 0.00 55.97 55.35 3dr0 s LYS 48 Cb 0.16 0.15 0.08 0.00 -0.52 0.00 0.00 37.83 37.70 3dr0 s LYS 48 CO 0.76 -0.08 1.10 -1.54 -0.92 0.00 0.00 175.35 174.67 3dr0 s SER 49 N -1.59 4.11 0.12 2.83 1.04 -1.26 -3.91 113.70 115.04 3dr0 s SER 49 Ca -0.13 1.87 -0.19 0.00 0.48 0.00 0.00 55.95 57.97 3dr0 s SER 49 Cb -0.07 -2.51 -0.07 0.00 0.10 0.00 0.00 66.02 63.47 3dr0 s SER 49 CO -0.01 -2.30 1.74 0.25 0.98 0.00 0.00 173.24 173.90 3dr0 h LEU 50 N -1.31 0.26 -0.53 2.42 5.85 -1.96 -0.65 115.31 119.38 3dr0 h LEU 50 Ca -0.44 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.26 3dr0 h LEU 50 Cb 1.24 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3dr0 h LEU 50 CO 0.50 0.23 0.31 -0.08 -0.34 0.00 0.00 178.44 179.05 3dr0 h GLU 51 N 0.26 0.59 -0.38 1.25 4.81 -1.93 0.30 114.58 119.48 3dr0 h GLU 51 Ca 0.08 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 3dr0 h GLU 51 Cb 0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3dr0 h GLU 51 CO -0.01 0.39 -0.23 1.05 -0.73 0.00 0.00 179.01 179.47 3dr0 h GLU 52 N 0.60 0.76 -0.55 1.92 4.11 -1.89 -1.93 114.58 117.60 3dr0 h GLU 52 Ca 0.22 -0.31 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 3dr0 h GLU 52 Cb 0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3dr0 h GLU 52 CO -0.11 0.92 0.04 0.00 0.07 0.00 0.00 179.01 179.93 3dr0 h ALA 53 N 1.07 1.02 -0.35 1.06 0.00 -0.74 -2.30 119.26 119.01 3dr0 h ALA 53 Ca 0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3dr0 h ALA 53 Cb 0.74 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dr0 h ALA 53 CO 0.06 0.61 0.07 0.28 0.00 0.00 0.00 179.25 180.27 3dr0 h VAL 54 N 0.86 1.23 -0.97 0.00 2.07 -0.73 -2.44 116.25 116.27 3dr0 h VAL 54 Ca 0.17 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.96 3dr0 h VAL 54 Cb 0.46 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 3dr0 h VAL 54 CO 0.02 0.27 0.61 0.00 0.02 0.00 0.00 177.57 178.49 3dr0 h ALA 55 N 0.91 1.38 -0.37 1.67 0.00 -1.11 -0.27 119.26 121.48 3dr0 h ALA 55 Ca 0.11 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3dr0 h ALA 55 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dr0 h ALA 55 CO 0.00 0.33 0.04 -0.92 0.00 0.00 0.00 179.25 178.71 3dr0 h TYR 56 N 1.07 0.67 -0.44 0.00 3.20 -1.23 -0.87 116.97 119.37 3dr0 h TYR 56 Ca 0.44 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 3dr0 h TYR 56 Cb 0.27 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3dr0 h TYR 56 CO -0.01 0.69 0.27 0.37 -1.64 0.00 0.00 178.16 177.83 3dr0 h GLN 57 N 0.46 0.59 -0.61 1.82 5.75 -0.92 -1.27 115.11 120.92 3dr0 h GLN 57 Ca 0.11 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 3dr0 h GLN 57 Cb 0.39 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 3dr0 h GLN 57 CO 0.01 0.43 0.12 0.28 -2.65 0.00 0.00 178.83 177.02 3dr0 h VAL 58 N 0.58 1.25 -0.13 2.39 2.07 -0.92 0.13 116.25 121.62 3dr0 h VAL 58 Ca 0.16 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 3dr0 h VAL 58 Cb -0.01 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3dr0 h VAL 58 CO -0.03 0.35 -0.01 0.74 0.02 0.00 0.00 177.57 178.65 3dr0 h THR 59 N 0.92 1.26 0.00 2.57 2.02 -0.91 0.14 112.91 118.91 3dr0 h THR 59 Ca 0.19 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3dr0 h THR 59 Cb 0.37 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3dr0 h THR 59 CO 0.01 0.25 -1.45 0.59 0.37 0.00 0.00 175.52 175.28 3dr0 n ASN 60 N -4.77 0.83 -0.68 4.18 3.02 -0.50 -1.64 115.26 115.69 3dr0 n ASN 60 Ca -0.06 -0.35 0.09 0.00 -0.03 0.00 0.00 54.58 54.23 3dr0 n ASN 60 Cb 0.22 1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 40.87 3dr0 n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dr0 n GLY 61 N 1.45 -2.03 3.54 7.41 0.00 0.44 -4.42 105.19 111.58 3dr0 n GLY 61 Ca -0.01 -1.33 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 3dr0 n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dr0 s GLN 62 N -2.24 0.42 5.59 1.61 0.74 -0.61 -4.91 119.66 120.26 3dr0 s GLN 62 Ca 0.00 0.92 0.00 0.00 0.05 0.00 0.00 55.36 56.33 3dr0 s GLN 62 Cb 0.00 0.42 0.00 0.00 1.10 0.00 0.00 33.01 34.53 3dr0 s GLN 62 CO 0.00 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.03 3dr0 n GLY 63 N 4.71 3.32 0.00 2.59 0.00 -1.26 -0.78 105.19 113.77 3dr0 n GLY 63 Ca -0.13 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 45.97 3dr0 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dr0 n ALA 64 N 10.57 2.28 -2.31 4.61 0.00 -1.26 -4.69 120.51 129.71 3dr0 n ALA 64 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 3dr0 n ALA 64 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 3dr0 n ALA 64 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3dr0 s MET 65 N -2.61 3.77 0.77 0.00 0.00 0.04 -5.00 119.30 116.27 3dr0 s MET 65 Ca 0.23 1.26 -0.14 0.00 0.00 0.00 0.00 55.69 57.05 3dr0 s MET 65 Cb 0.17 -3.97 0.06 0.00 0.00 0.00 0.00 34.83 31.10 3dr0 s MET 65 CO 0.40 -1.31 1.18 -2.14 0.00 0.00 0.00 175.02 173.15 3dr0 s PRO 66 N 4.55 1.95 -0.05 4.11 0.02 -1.26 -1.57 135.00 142.75 3dr0 s PRO 66 Ca 0.62 1.66 -0.27 0.00 0.02 0.00 0.00 61.00 63.03 3dr0 s PRO 66 Cb -0.18 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 3dr0 s PRO 66 CO 0.27 -1.96 0.86 0.00 -0.33 0.00 0.00 177.00 175.85 3dr0 s ALA 67 N -2.20 3.28 -1.31 -1.55 0.00 -1.26 -3.87 121.76 114.85 3dr0 s ALA 67 Ca 0.71 0.33 0.13 0.00 0.00 0.00 0.00 51.96 53.13 3dr0 s ALA 67 Cb -0.27 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.68 3dr0 s ALA 67 CO 0.48 -0.26 0.79 1.19 0.00 0.00 0.00 175.76 177.96 3dr0 n PHE 68 N 4.08 0.00 -1.75 0.00 3.01 0.48 -4.91 117.46 118.37 3dr0 n PHE 68 Ca 0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.08 3dr0 n PHE 68 Cb 0.51 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.97 3dr0 n PHE 68 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dr0 n GLY 69 N 0.98 1.20 3.02 1.37 0.00 -0.65 -1.42 105.19 109.69 3dr0 n GLY 69 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3dr0 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dr0 n GLY 70 N 1.27 0.29 0.72 -0.02 0.00 -1.26 -4.74 105.19 101.45 3dr0 n GLY 70 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3dr0 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dr0 n ARG 71 N -1.23 0.18 -2.54 1.61 1.74 -0.52 -5.00 116.66 110.91 3dr0 n ARG 71 Ca 0.00 0.07 -0.33 0.00 -0.77 0.00 0.00 57.85 56.83 3dr0 n ARG 71 Cb 0.17 -0.82 -0.04 0.00 -1.02 0.00 0.00 32.46 30.74 3dr0 n ARG 71 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dr0 s LEU 72 N -7.23 3.75 0.80 0.55 1.43 -0.51 -5.04 118.68 112.43 3dr0 s LEU 72 Ca -0.10 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.54 3dr0 s LEU 72 Cb 0.02 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.79 3dr0 s LEU 72 CO 0.15 -0.56 1.13 -0.94 0.23 0.00 0.00 176.35 176.36 3dr0 s SER 73 N -2.65 3.98 0.23 2.29 1.04 -1.26 -4.77 113.70 112.56 3dr0 s SER 73 Ca 0.61 2.06 -0.06 0.00 0.48 0.00 0.00 55.95 59.04 3dr0 s SER 73 Cb -0.10 -2.55 0.30 0.00 0.10 0.00 0.00 66.02 63.76 3dr0 s SER 73 CO 0.24 -2.40 1.85 -0.78 0.98 0.00 0.00 173.24 173.14 3dr0 h ASP 74 N -1.11 0.81 -0.67 7.02 3.58 -1.96 -1.35 116.42 122.75 3dr0 h ASP 74 Ca -0.44 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 56.94 3dr0 h ASP 74 Cb 1.26 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 42.12 3dr0 h ASP 74 CO 0.48 0.53 0.12 0.00 -2.88 0.00 0.00 179.24 177.49 3dr0 h ALA 75 N 1.38 0.88 -0.71 -0.78 0.00 -1.99 -1.57 119.26 116.47 3dr0 h ALA 75 Ca 0.35 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3dr0 h ALA 75 Cb 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3dr0 h ALA 75 CO -0.16 0.64 0.21 -0.44 0.00 0.00 0.00 179.25 179.50 3dr0 h ASP 76 N 1.02 1.04 -0.32 0.00 3.32 -1.77 0.11 116.42 119.81 3dr0 h ASP 76 Ca 0.20 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3dr0 h ASP 76 Cb 0.42 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3dr0 h ASP 76 CO 0.01 0.97 0.06 0.40 -1.72 0.00 0.00 179.24 178.96 3dr0 h ILE 77 N 1.06 1.23 -0.68 0.35 2.04 -1.09 -0.37 117.51 120.04 3dr0 h ILE 77 Ca 0.23 -0.79 0.08 0.00 1.00 0.00 0.00 64.86 65.37 3dr0 h ILE 77 Cb 0.32 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 3dr0 h ILE 77 CO -0.00 0.26 0.35 0.00 0.00 0.00 0.00 178.15 178.76 3dr0 h ALA 78 N 0.90 0.93 -0.32 1.87 0.00 -1.00 -1.15 119.26 120.48 3dr0 h ALA 78 Ca 0.10 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3dr0 h ALA 78 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3dr0 h ALA 78 CO 0.00 -0.02 -0.19 -0.91 0.00 0.00 0.00 179.25 178.13 3dr0 h ASN 79 N 0.62 0.73 0.06 0.00 2.35 -0.51 -1.09 115.58 117.75 3dr0 h ASN 79 Ca 0.32 -0.42 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 3dr0 h ASN 79 Cb 0.29 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3dr0 h ASN 79 CO -0.23 0.99 -0.27 1.62 -1.65 0.00 0.00 177.43 177.89 3dr0 h VAL 80 N 0.47 1.26 -0.47 2.81 3.04 -0.92 -0.95 116.25 121.49 3dr0 h VAL 80 Ca 0.07 -1.22 -0.08 0.00 -1.01 0.00 0.00 66.70 64.46 3dr0 h VAL 80 Cb 0.74 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 31.42 3dr0 h VAL 80 CO 0.05 0.38 -0.00 0.00 -1.01 0.00 0.00 177.57 176.99 3dr0 h ALA 81 N 1.42 0.63 -0.70 3.17 0.00 -1.03 -0.73 119.26 122.02 3dr0 h ALA 81 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3dr0 h ALA 81 Cb 0.64 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3dr0 h ALA 81 CO 0.05 0.43 0.40 0.00 0.00 0.00 0.00 179.25 180.13 3dr0 h ALA 82 N 0.92 0.90 -0.01 0.00 0.00 -0.92 -1.53 119.26 118.62 3dr0 h ALA 82 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dr0 h ALA 82 Cb 0.51 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3dr0 h ALA 82 CO 0.02 0.40 0.00 -0.92 0.00 0.00 0.00 179.25 178.76 3dr0 h TYR 83 N 0.96 0.01 -0.53 0.00 3.20 -0.93 -1.69 116.97 117.99 3dr0 h TYR 83 Ca 0.25 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 3dr0 h TYR 83 Cb 0.01 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3dr0 h TYR 83 CO -0.01 0.02 0.33 0.82 -1.64 0.00 0.00 178.16 177.68 3dr0 h ILE 84 N -0.00 1.16 -0.68 1.81 2.04 -0.98 0.40 117.51 121.26 3dr0 h ILE 84 Ca 0.00 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3dr0 h ILE 84 Cb 0.01 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 3dr0 h ILE 84 CO -0.00 0.16 0.41 0.00 0.00 0.00 0.00 178.15 178.72 3dr0 h ALA 85 N 1.17 0.86 -0.22 1.87 0.00 -1.18 -0.05 119.26 121.72 3dr0 h ALA 85 Ca 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3dr0 h ALA 85 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3dr0 h ALA 85 CO -0.04 0.33 0.03 0.22 0.00 0.00 0.00 179.25 179.79 3dr0 h ASP 86 N 0.92 0.35 -0.18 0.00 3.58 -0.86 -0.73 116.42 119.49 3dr0 h ASP 86 Ca 0.24 -0.27 0.03 0.00 0.42 0.00 0.00 57.03 57.46 3dr0 h ASP 86 Cb -0.04 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 3dr0 h ASP 86 CO -0.05 0.53 -0.02 1.56 -2.88 0.00 0.00 179.24 178.39 3dr0 h GLN 87 N 0.15 0.03 -0.01 0.28 1.08 -0.70 -2.31 115.11 113.65 3dr0 h GLN 87 Ca 0.06 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3dr0 h GLN 87 Cb 0.34 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3dr0 h GLN 87 CO 0.01 0.02 -0.01 0.00 -0.95 0.00 0.00 178.83 177.90 3dr0 h ALA 88 N 1.17 0.01 -0.30 3.87 0.00 -0.95 0.37 119.26 123.43 3dr0 h ALA 88 Ca 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3dr0 h ALA 88 Cb 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3dr0 h ALA 88 CO -0.16 -0.24 0.01 0.93 0.00 0.00 0.00 179.25 179.78 3dr0 h GLU 89 N -0.46 0.45 -0.39 0.00 5.08 -1.15 -2.39 114.58 115.73 3dr0 h GLU 89 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3dr0 h GLU 89 Cb 0.49 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3dr0 h GLU 89 CO 0.00 0.48 0.00 0.09 -1.00 0.00 0.00 179.01 178.58 3dr0 n ASN 90 N -4.31 3.20 -3.93 1.42 3.02 -0.87 -4.97 115.26 108.82 3dr0 n ASN 90 Ca 0.01 -1.96 -0.29 0.00 -0.03 0.00 0.00 54.58 52.32 3dr0 n ASN 90 Cb 0.22 -0.25 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 3dr0 n ASN 90 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dr0 n ASN 91 N 1.31 -3.24 -0.02 6.41 3.02 -0.54 -4.89 115.26 117.32 3dr0 n ASN 91 Ca 0.19 -0.85 0.13 0.00 -0.03 0.00 0.00 54.58 54.01 3dr0 n ASN 91 Cb 0.56 -3.64 0.36 0.00 -0.61 0.00 0.00 39.78 36.46 3dr0 n ASN 91 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dr0 n LYS 92 N -4.52 0.07 0.00 3.52 5.02 0.01 -5.04 118.16 117.22 3dr0 n LYS 92 Ca -0.07 -0.04 0.03 0.00 -2.02 0.00 0.00 58.31 56.21 3dr0 n LYS 92 Cb 0.57 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.24 3dr0 n LYS 92 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79