#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 4.74 0.29 0.00 3.68 -1.26 -4.98 116.67 119.13 3dr0 s ASP 2 Ca 0.00 -2.13 -0.03 0.00 2.13 0.00 0.00 52.55 52.52 3dr0 s ASP 2 Cb 0.00 -1.60 0.40 0.00 -1.45 0.00 0.00 42.92 40.27 3dr0 s ASP 2 CO 0.00 -0.38 1.93 0.00 0.13 0.00 0.00 175.17 176.85 3dr0 h ALA 3 N 7.63 1.34 -0.47 3.66 0.00 -1.86 -1.05 119.26 128.50 3dr0 h ALA 3 Ca -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3dr0 h ALA 3 Cb 1.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3dr0 h ALA 3 CO 0.52 0.57 0.24 0.00 0.00 0.00 0.00 179.25 180.58 3dr0 h ALA 4 N 1.43 0.61 -0.87 0.00 0.00 -1.93 -1.18 119.26 117.31 3dr0 h ALA 4 Ca 0.28 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3dr0 h ALA 4 Cb -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3dr0 h ALA 4 CO -0.05 0.15 0.56 0.00 0.00 0.00 0.00 179.25 179.91 3dr0 h ALA 5 N 1.09 1.14 -0.36 0.00 0.00 -1.85 -2.28 119.26 117.01 3dr0 h ALA 5 Ca 0.16 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3dr0 h ALA 5 Cb 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3dr0 h ALA 5 CO -0.02 0.40 0.24 0.78 0.00 0.00 0.00 179.25 180.65 3dr0 h GLY 6 N 1.09 0.37 1.54 0.00 0.00 -0.33 -1.68 103.07 104.07 3dr0 h GLY 6 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 3dr0 h GLY 6 CO -0.12 0.11 0.22 0.00 0.00 0.00 0.00 176.54 176.75 3dr0 h ALA 7 N 1.80 1.57 -0.11 3.60 0.00 -0.63 0.84 119.26 126.32 3dr0 h ALA 7 Ca 0.15 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3dr0 h ALA 7 Cb 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dr0 h ALA 7 CO -0.03 0.35 -0.42 1.96 0.00 0.00 0.00 179.25 181.11 3dr0 h GLN 8 N 0.61 0.48 -0.77 0.00 4.20 -1.35 -1.70 115.11 116.58 3dr0 h GLN 8 Ca 0.15 -0.37 0.06 0.00 0.06 0.00 0.00 58.65 58.55 3dr0 h GLN 8 Cb 0.05 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 3dr0 h GLN 8 CO -0.02 1.00 0.46 0.28 -0.67 0.00 0.00 178.83 179.87 3dr0 h VAL 9 N 0.07 1.02 -0.37 -0.54 2.07 -1.08 -2.06 116.25 115.36 3dr0 h VAL 9 Ca -0.02 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3dr0 h VAL 9 Cb 1.06 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3dr0 h VAL 9 CO 0.09 0.15 0.17 0.15 0.02 0.00 0.00 177.57 178.16 3dr0 h PHE 10 N 0.85 0.54 -0.70 1.57 3.04 -0.72 -1.32 116.94 120.20 3dr0 h PHE 10 Ca 0.33 -0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.32 3dr0 h PHE 10 Cb 0.16 -0.17 -0.06 0.00 2.56 0.00 0.00 35.95 38.45 3dr0 h PHE 10 CO -0.05 0.47 0.39 0.00 -2.02 0.00 0.00 178.31 177.10 3dr0 h ALA 11 N 1.02 0.94 0.00 2.41 0.00 -1.03 0.11 119.26 122.72 3dr0 h ALA 11 Ca 0.13 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3dr0 h ALA 11 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dr0 h ALA 11 CO -0.02 0.07 -0.39 0.00 0.00 0.00 0.00 179.25 178.91 3dr0 h ALA 12 N 1.36 0.86 0.00 0.00 0.00 -1.01 -3.40 119.26 117.08 3dr0 h ALA 12 Ca 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dr0 h ALA 12 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dr0 h ALA 12 CO -0.19 0.48 -0.23 0.09 0.00 0.00 0.00 179.25 179.41 3dr0 n ASN 13 N -3.36 1.14 0.00 0.00 3.02 -0.53 -4.93 115.26 110.60 3dr0 n ASN 13 Ca 0.01 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 3dr0 n ASN 13 Cb 0.59 0.47 0.00 0.00 -0.61 0.00 0.00 39.78 40.23 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 -0.43 0.00 0.00 -1.57 -1.22 119.26 117.04 3dr0 h ALA 15 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dr0 h ALA 15 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3dr0 h ALA 15 CO 0.00 0.00 0.20 0.00 0.00 0.00 0.00 179.25 179.45 3dr0 h ALA 16 N 2.04 1.56 0.00 0.00 0.00 -1.87 -2.50 119.26 118.49 3dr0 h ALA 16 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3dr0 h ALA 16 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dr0 h ALA 16 CO 0.00 0.36 -1.22 0.00 0.00 0.00 0.00 179.25 178.39 3dr0 n HIS 18 N -1.70 0.00 -1.63 0.00 8.25 -0.50 -0.62 115.22 119.03 3dr0 n HIS 18 Ca -0.01 -0.83 -0.45 0.00 -0.26 0.00 0.00 57.72 56.17 3dr0 n HIS 18 Cb 0.23 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.60 0.25 -0.94 -1.41 0.00 -0.95 -0.83 120.51 116.04 3dr0 n ALA 19 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3dr0 n ALA 19 Cb 0.78 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 1.39 0.42 2.16 0.00 0.00 -1.26 -2.47 105.19 105.43 3dr0 n GLY 20 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.69 0.49 0.00 -0.02 0.00 -0.01 -4.90 105.19 99.06 3dr0 n GLY 21 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.28 0.00 -3.48 1.61 3.02 -1.03 -0.16 115.26 115.50 3dr0 n ASN 22 Ca -0.01 -0.16 -0.18 0.00 -0.03 0.00 0.00 54.58 54.19 3dr0 n ASN 22 Cb 0.10 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.14 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 1.46 0.40 6.41 3.84 -1.26 -4.29 114.94 120.49 3dr0 s ASN 23 Ca 0.00 -0.32 0.28 0.00 0.21 0.00 0.00 52.86 53.04 3dr0 s ASN 23 Cb 0.00 0.40 1.24 0.00 -0.55 0.00 0.00 41.25 42.33 3dr0 s ASN 23 CO 0.00 -0.34 1.85 0.00 -2.79 0.00 0.00 177.10 175.82 3dr0 h ALA 24 N 8.30 1.00 0.00 1.71 0.00 -1.20 -3.30 119.26 125.77 3dr0 h ALA 24 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.40 3dr0 h ALA 24 Cb 1.14 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3dr0 h ALA 24 CO 0.29 0.00 -2.16 0.28 0.00 0.00 0.00 179.25 177.66 3dr0 n VAL 25 N -2.60 1.14 -3.80 0.00 0.31 -1.26 -4.86 118.33 107.26 3dr0 n VAL 25 Ca 0.01 -0.31 -0.30 0.00 -0.01 0.00 0.00 64.34 63.73 3dr0 n VAL 25 Cb 0.23 -1.70 -0.14 0.00 -0.91 0.00 0.00 33.84 31.31 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 -2.38 1.26 0.51 5.55 -2.45 -1.25 -5.04 119.30 115.50 3dr0 s MET 26 Ca -0.29 -1.83 0.19 0.00 -1.25 0.00 0.00 55.69 52.51 3dr0 s MET 26 Cb 0.11 -2.51 1.30 0.00 1.25 0.00 0.00 34.83 34.97 3dr0 s MET 26 CO 0.38 -1.07 2.11 -1.00 1.05 0.00 0.00 175.02 176.49 3dr0 h PRO 27 N 7.19 0.00 0.00 4.11 0.13 -1.89 -2.39 132.00 139.15 3dr0 h PRO 27 Ca -0.06 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.97 3dr0 h PRO 27 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 3dr0 h PRO 27 CO 0.51 0.07 -0.49 1.79 -0.23 0.00 0.00 178.00 179.66 3dr0 h THR 28 N 0.00 1.14 -1.81 1.56 1.35 -1.96 -3.39 112.91 109.80 3dr0 h THR 28 Ca -0.00 -1.79 -0.77 0.00 -0.55 0.00 0.00 66.41 63.29 3dr0 h THR 28 Cb 0.13 2.03 -0.19 0.00 -1.73 0.00 0.00 68.15 68.39 3dr0 h THR 28 CO 0.01 0.48 1.68 0.29 -0.25 0.00 0.00 175.52 177.73 3dr0 n LYS 29 N -3.66 3.99 -2.14 4.72 5.02 -0.90 -4.86 118.16 120.33 3dr0 n LYS 29 Ca -0.01 -3.84 -0.28 0.00 -2.02 0.00 0.00 58.31 52.16 3dr0 n LYS 29 Cb 0.56 -2.77 0.18 0.00 -0.02 0.00 0.00 35.03 32.98 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 -0.77 2.01 -0.31 -0.18 -4.23 -1.26 -4.66 115.64 106.23 3dr0 s THR 30 Ca 0.38 -0.18 0.10 0.00 -1.18 0.00 0.00 61.69 60.81 3dr0 s THR 30 Cb 0.09 -2.82 0.72 0.00 1.34 0.00 0.00 72.50 71.83 3dr0 s THR 30 CO 0.02 0.00 1.76 0.18 -0.54 0.00 0.00 174.62 176.05 3dr0 n LEU 31 N -3.58 5.84 -4.92 4.79 4.77 0.78 -4.30 117.00 120.38 3dr0 n LEU 31 Ca 0.17 -3.25 -0.26 0.00 -0.03 0.00 0.00 56.01 52.64 3dr0 n LEU 31 Cb 0.60 -0.73 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3dr0 n LEU 31 CO 0.43 0.83 0.34 -0.54 -1.33 0.00 0.00 177.39 177.12 3dr0 s LYS 32 N -3.01 3.53 0.26 3.23 -0.14 -1.25 -4.44 119.74 117.93 3dr0 s LYS 32 Ca 0.54 0.01 -0.05 0.00 -1.36 0.00 0.00 55.97 55.11 3dr0 s LYS 32 Cb 0.43 -2.49 0.32 0.00 -1.68 0.00 0.00 37.83 34.41 3dr0 s LYS 32 CO 0.12 -0.06 1.92 0.00 -0.76 0.00 0.00 175.35 176.57 3dr0 h ALA 33 N 0.49 1.29 -0.05 5.17 0.00 -1.94 -0.52 119.26 123.70 3dr0 h ALA 33 Ca -0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3dr0 h ALA 33 Cb 1.21 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3dr0 h ALA 33 CO 0.62 0.62 -0.05 0.38 0.00 0.00 0.00 179.25 180.82 3dr0 h ASP 34 N 1.23 0.13 -0.70 0.00 2.03 -1.94 -2.66 116.42 114.51 3dr0 h ASP 34 Ca 0.32 -0.48 -0.03 0.00 -0.73 0.00 0.00 57.03 56.11 3dr0 h ASP 34 Cb -0.08 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 38.35 3dr0 h ASP 34 CO -0.06 0.58 0.31 0.00 -1.03 0.00 0.00 179.24 179.04 3dr0 h ALA 35 N 0.55 0.91 -0.63 4.15 0.00 -1.79 -1.93 119.26 120.51 3dr0 h ALA 35 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3dr0 h ALA 35 Cb 0.55 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3dr0 h ALA 35 CO 0.01 0.49 0.39 -0.07 0.00 0.00 0.00 179.25 180.08 3dr0 h LEU 36 N 0.99 0.75 -1.13 0.00 3.38 -1.15 -0.30 115.31 117.84 3dr0 h LEU 36 Ca 0.24 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3dr0 h LEU 36 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3dr0 h LEU 36 CO -0.03 0.57 -0.22 0.50 0.09 0.00 0.00 178.44 179.35 3dr0 h LYS 37 N 0.86 0.34 -0.20 1.13 1.63 -1.24 -0.68 116.57 118.41 3dr0 h LYS 37 Ca 0.23 -0.11 -0.13 0.00 -0.85 0.00 0.00 60.65 59.78 3dr0 h LYS 37 Cb -0.05 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 3dr0 h LYS 37 CO -0.05 0.55 -0.40 1.15 -3.45 0.00 0.00 179.45 177.25 3dr0 h THR 38 N 0.31 1.33 0.00 1.00 2.02 -0.78 -3.37 112.91 113.41 3dr0 h THR 38 Ca 0.05 -1.64 -0.18 0.00 0.77 0.00 0.00 66.41 65.42 3dr0 h THR 38 Cb 0.57 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.82 3dr0 h THR 38 CO 0.04 0.51 -1.73 -1.22 0.37 0.00 0.00 175.52 173.49 3dr0 n TYR 39 N -4.24 0.00 -2.71 3.16 4.01 -0.18 -4.93 117.16 112.28 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 0.54 -0.51 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 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 -4.71 4.10 0.30 7.72 2.96 -0.28 -4.94 118.68 123.83 3dr0 s LEU 40 Ca -0.05 1.31 -0.28 0.00 -0.22 0.00 0.00 54.13 54.88 3dr0 s LEU 40 Cb 0.04 -3.47 -0.14 0.00 0.50 0.00 0.00 46.19 43.12 3dr0 s LEU 40 CO 0.45 -0.64 1.09 0.00 -1.32 0.00 0.00 176.35 175.93 3dr0 n ALA 41 N 6.25 0.12 0.00 5.97 0.00 -1.26 -0.72 120.51 130.88 3dr0 n ALA 41 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3dr0 n ALA 41 Cb 0.46 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 1.18 1.94 0.28 0.00 0.00 -1.26 -4.51 105.19 102.81 3dr0 n GLY 42 Ca 0.09 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 1.01 -0.17 1.61 3.20 -1.62 -1.00 116.97 120.00 3dr0 h TYR 43 Ca 0.00 -0.13 0.05 0.00 3.14 0.00 0.00 58.73 61.79 3dr0 h TYR 43 Cb 0.00 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 3dr0 h TYR 43 CO 0.00 0.87 0.14 1.57 -1.64 0.00 0.00 178.16 179.10 3dr0 h LYS 44 N 0.86 0.00 -0.06 1.82 2.10 -1.09 -2.10 116.57 118.09 3dr0 h LYS 44 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 3dr0 h LYS 44 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3dr0 h LYS 44 CO 0.01 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.06 3dr0 n ASP 45 N -4.14 2.36 -0.06 7.07 5.68 -1.21 -4.93 116.55 121.32 3dr0 n ASP 45 Ca 0.01 -2.39 -0.01 0.00 -0.50 0.00 0.00 54.79 51.91 3dr0 n ASP 45 Cb 0.27 -0.19 -0.00 0.00 -1.14 0.00 0.00 41.12 40.05 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 -0.64 0.47 0.14 6.12 0.00 -0.79 -4.90 105.19 105.59 3dr0 n GLY 46 Ca 0.08 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3dr0 n GLY 46 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dr0 h SER 47 N 0.00 0.00 -4.70 1.61 4.64 -1.47 -3.46 113.55 110.18 3dr0 h SER 47 Ca -0.02 -0.05 -0.30 0.00 -0.47 0.00 0.00 61.79 60.96 3dr0 h SER 47 Cb 0.17 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.05 3dr0 h SER 47 CO 0.02 0.02 -0.74 -0.54 -0.87 0.00 0.00 176.83 174.73 3dr0 s LYS 48 N -3.24 0.60 0.94 4.77 1.02 -0.80 -4.98 119.74 118.07 3dr0 s LYS 48 Ca 0.05 -0.83 -0.11 0.00 0.02 0.00 0.00 55.97 55.10 3dr0 s LYS 48 Cb 0.09 -0.40 0.16 0.00 -0.52 0.00 0.00 37.83 37.17 3dr0 s LYS 48 CO 0.71 0.07 1.10 -1.54 -0.92 0.00 0.00 175.35 174.77 3dr0 s SER 49 N -1.69 2.86 0.13 2.83 1.04 -1.26 -3.92 113.70 113.69 3dr0 s SER 49 Ca -0.07 1.84 -0.17 0.00 0.48 0.00 0.00 55.95 58.03 3dr0 s SER 49 Cb -0.09 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 3dr0 s SER 49 CO 0.01 -3.08 1.72 0.25 0.98 0.00 0.00 173.24 173.12 3dr0 h LEU 50 N -1.85 0.47 -0.53 2.42 5.85 -1.96 -0.55 115.31 119.15 3dr0 h LEU 50 Ca -0.48 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.16 3dr0 h LEU 50 Cb 1.28 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 3dr0 h LEU 50 CO 0.48 0.44 0.30 -0.33 -0.34 0.00 0.00 178.44 178.99 3dr0 h GLU 51 N 0.46 0.58 -0.37 1.25 5.08 -1.92 0.31 114.58 119.96 3dr0 h GLU 51 Ca 0.13 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3dr0 h GLU 51 Cb 0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3dr0 h GLU 51 CO -0.02 0.38 -0.08 1.49 -1.00 0.00 0.00 179.01 179.79 3dr0 h GLU 52 N 0.59 0.71 -0.69 2.33 4.81 -1.85 -0.99 114.58 119.49 3dr0 h GLU 52 Ca 0.22 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3dr0 h GLU 52 Cb 0.07 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3dr0 h GLU 52 CO -0.12 0.85 0.35 0.00 -0.73 0.00 0.00 179.01 179.35 3dr0 h ALA 53 N 0.83 0.89 -0.42 2.92 0.00 -0.83 -1.49 119.26 121.17 3dr0 h ALA 53 Ca 0.10 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3dr0 h ALA 53 Cb 0.58 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dr0 h ALA 53 CO 0.03 0.44 -0.04 0.28 0.00 0.00 0.00 179.25 179.97 3dr0 h VAL 54 N 0.96 1.27 -0.87 0.00 2.07 -0.83 -2.46 116.25 116.39 3dr0 h VAL 54 Ca 0.24 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.72 3dr0 h VAL 54 Cb 0.10 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3dr0 h VAL 54 CO -0.03 0.37 0.54 0.00 0.02 0.00 0.00 177.57 178.47 3dr0 h ALA 55 N 0.88 1.18 -0.17 1.67 0.00 -0.88 -0.21 119.26 121.73 3dr0 h ALA 55 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3dr0 h ALA 55 Cb 0.54 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dr0 h ALA 55 CO 0.03 0.31 0.08 -0.92 0.00 0.00 0.00 179.25 178.75 3dr0 h TYR 56 N 1.00 0.25 -0.40 0.00 5.03 -1.15 -0.44 116.97 121.26 3dr0 h TYR 56 Ca 0.37 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.69 3dr0 h TYR 56 Cb 0.14 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 3dr0 h TYR 56 CO -0.03 0.27 0.21 0.37 -1.32 0.00 0.00 178.16 177.67 3dr0 h GLN 57 N 0.15 0.42 -0.38 1.82 5.75 -1.00 -1.90 115.11 119.97 3dr0 h GLN 57 Ca 0.06 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 3dr0 h GLN 57 Cb 0.12 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3dr0 h GLN 57 CO -0.01 0.28 0.13 0.28 -2.65 0.00 0.00 178.83 176.86 3dr0 h VAL 58 N 0.44 1.21 -0.40 2.39 2.07 -0.91 0.61 116.25 121.65 3dr0 h VAL 58 Ca 0.17 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3dr0 h VAL 58 Cb 0.05 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3dr0 h VAL 58 CO -0.10 0.24 0.16 0.74 0.02 0.00 0.00 177.57 178.63 3dr0 h THR 59 N 0.47 1.19 0.00 2.57 2.02 -0.93 0.51 112.91 118.74 3dr0 h THR 59 Ca 0.12 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3dr0 h THR 59 Cb 0.24 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3dr0 h THR 59 CO -0.01 0.21 -1.49 0.59 0.37 0.00 0.00 175.52 175.20 3dr0 n ASN 60 N -4.65 1.10 -0.22 4.18 3.02 -0.73 -1.24 115.26 116.72 3dr0 n ASN 60 Ca -0.00 -0.23 0.03 0.00 -0.03 0.00 0.00 54.58 54.34 3dr0 n ASN 60 Cb 0.14 1.55 -0.01 0.00 -0.61 0.00 0.00 39.78 40.85 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 1.51 -2.17 3.61 7.41 0.00 0.20 -4.48 105.19 111.27 3dr0 n GLY 61 Ca -0.01 -1.43 -0.02 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.37 0.42 5.47 1.61 0.74 -0.68 -4.92 119.66 119.93 3dr0 s GLN 62 Ca 0.00 0.77 0.00 0.00 0.05 0.00 0.00 55.36 56.18 3dr0 s GLN 62 Cb 0.00 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.28 3dr0 s GLN 62 CO 0.00 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.05 3dr0 n GLY 63 N 4.05 3.07 0.04 2.59 0.00 -1.26 -0.75 105.19 112.93 3dr0 n GLY 63 Ca -0.17 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 9.75 2.64 -2.47 4.61 0.00 -1.26 -4.72 120.51 129.06 3dr0 n ALA 64 Ca 0.00 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 3dr0 n ALA 64 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 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 -1.99 3.92 0.84 0.00 0.00 0.07 -5.02 119.30 117.11 3dr0 s MET 65 Ca 0.38 1.17 -0.11 0.00 0.00 0.00 0.00 55.69 57.12 3dr0 s MET 65 Cb 0.17 -3.86 0.10 0.00 0.00 0.00 0.00 34.83 31.24 3dr0 s MET 65 CO 0.29 -1.11 1.13 -2.14 0.00 0.00 0.00 175.02 173.19 3dr0 s PRO 66 N 4.11 1.64 -0.04 4.11 0.02 -1.26 -1.68 135.00 141.90 3dr0 s PRO 66 Ca 0.54 1.43 -0.24 0.00 0.02 0.00 0.00 61.00 62.75 3dr0 s PRO 66 Cb -0.15 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 3dr0 s PRO 66 CO 0.22 -2.15 0.73 0.00 -0.33 0.00 0.00 177.00 175.48 3dr0 s ALA 67 N -2.67 3.33 -1.22 -1.55 0.00 -1.26 -3.92 121.76 114.48 3dr0 s ALA 67 Ca 0.65 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.90 3dr0 s ALA 67 Cb -0.21 -2.98 0.10 0.00 0.00 0.00 0.00 23.12 20.03 3dr0 s ALA 67 CO 0.55 -0.07 0.86 1.19 0.00 0.00 0.00 175.76 178.29 3dr0 n PHE 68 N 3.57 0.04 -1.72 0.00 3.01 0.17 -4.88 117.46 117.66 3dr0 n PHE 68 Ca -0.01 -0.05 -0.43 0.00 1.01 0.00 0.00 57.45 57.97 3dr0 n PHE 68 Cb 0.51 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.95 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 0.55 1.42 2.59 1.37 0.00 -0.37 -1.63 105.19 109.12 3dr0 n GLY 69 Ca 0.06 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 3.42 3.03 0.10 -0.02 0.00 -1.26 -4.72 105.19 105.74 3dr0 n GLY 70 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.42 0.67 -4.68 1.61 1.74 -0.65 -4.95 116.66 108.98 3dr0 n ARG 71 Ca 0.00 0.18 -0.29 0.00 -0.77 0.00 0.00 57.85 56.97 3dr0 n ARG 71 Cb 0.00 -1.67 -0.14 0.00 -1.02 0.00 0.00 32.46 29.63 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 -6.06 2.23 0.83 0.55 1.43 -0.64 -5.13 118.68 111.88 3dr0 s LEU 72 Ca -0.11 -0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 52.24 3dr0 s LEU 72 Cb 0.07 -1.22 0.09 0.00 0.03 0.00 0.00 46.19 45.16 3dr0 s LEU 72 CO 0.80 0.21 1.11 -0.94 0.23 0.00 0.00 176.35 177.77 3dr0 s SER 73 N -1.55 3.90 0.30 2.29 1.04 -1.26 -4.74 113.70 113.68 3dr0 s SER 73 Ca 0.12 1.97 0.04 0.00 0.48 0.00 0.00 55.95 58.56 3dr0 s SER 73 Cb -0.10 -2.54 0.63 0.00 0.10 0.00 0.00 66.02 64.12 3dr0 s SER 73 CO 0.03 -2.45 1.84 0.44 0.98 0.00 0.00 173.24 174.08 3dr0 h ASP 74 N -1.39 0.86 -0.35 7.02 3.32 -1.99 -1.27 116.42 122.61 3dr0 h ASP 74 Ca -0.43 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 3dr0 h ASP 74 Cb 1.25 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 3dr0 h ASP 74 CO 0.48 0.43 0.20 0.00 -1.72 0.00 0.00 179.24 178.63 3dr0 h ALA 75 N 1.57 0.44 -0.69 3.45 0.00 -1.99 0.18 119.26 122.22 3dr0 h ALA 75 Ca 0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 3dr0 h ALA 75 Cb 0.59 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3dr0 h ALA 75 CO -0.27 -0.05 0.31 -0.44 0.00 0.00 0.00 179.25 178.80 3dr0 h ASP 76 N 0.45 0.91 -0.23 0.00 3.32 -1.71 0.12 116.42 119.28 3dr0 h ASP 76 Ca 0.12 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3dr0 h ASP 76 Cb 0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3dr0 h ASP 76 CO -0.02 0.79 -0.15 0.40 -1.72 0.00 0.00 179.24 178.54 3dr0 h ILE 77 N 0.99 1.31 -0.83 0.35 2.04 -0.95 0.40 117.51 120.83 3dr0 h ILE 77 Ca 0.24 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 3dr0 h ILE 77 Cb 0.14 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3dr0 h ILE 77 CO -0.03 0.39 0.48 0.00 0.00 0.00 0.00 178.15 178.99 3dr0 h ALA 78 N 0.70 1.06 -0.47 1.87 0.00 -0.68 -0.83 119.26 120.91 3dr0 h ALA 78 Ca 0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3dr0 h ALA 78 Cb 0.67 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3dr0 h ALA 78 CO 0.04 0.54 0.04 -0.91 0.00 0.00 0.00 179.25 178.96 3dr0 h ASN 79 N 1.14 0.78 0.46 0.00 2.35 -0.60 -0.58 115.58 119.13 3dr0 h ASN 79 Ca 0.29 -0.28 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3dr0 h ASN 79 Cb -0.01 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3dr0 h ASN 79 CO -0.05 0.87 -0.49 1.62 -1.65 0.00 0.00 177.43 177.73 3dr0 h VAL 80 N 0.67 1.35 -0.36 2.81 3.04 -0.73 -0.05 116.25 122.97 3dr0 h VAL 80 Ca 0.14 -1.70 -0.08 0.00 -1.01 0.00 0.00 66.70 64.05 3dr0 h VAL 80 Cb 0.44 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 3dr0 h VAL 80 CO 0.02 0.49 -0.08 0.00 -1.01 0.00 0.00 177.57 176.98 3dr0 h ALA 81 N 1.47 0.50 -0.64 3.17 0.00 -0.96 -0.25 119.26 122.53 3dr0 h ALA 81 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.63 3dr0 h ALA 81 Cb 0.89 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3dr0 h ALA 81 CO 0.07 0.34 0.41 0.00 0.00 0.00 0.00 179.25 180.07 3dr0 h ALA 82 N 0.82 0.83 -0.14 0.00 0.00 -0.83 -1.41 119.26 118.54 3dr0 h ALA 82 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dr0 h ALA 82 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3dr0 h ALA 82 CO 0.03 0.18 0.08 -0.92 0.00 0.00 0.00 179.25 178.63 3dr0 h TYR 83 N 0.81 0.15 -0.65 0.00 3.20 -0.72 -0.63 116.97 119.13 3dr0 h TYR 83 Ca 0.25 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 3dr0 h TYR 83 Cb -0.02 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 3dr0 h TYR 83 CO -0.04 0.09 0.31 0.82 -1.64 0.00 0.00 178.16 177.69 3dr0 h ILE 84 N 0.17 1.22 -0.55 1.81 2.04 -0.88 0.14 117.51 121.46 3dr0 h ILE 84 Ca 0.05 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.27 3dr0 h ILE 84 Cb -0.01 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 3dr0 h ILE 84 CO -0.03 0.26 0.36 0.00 0.00 0.00 0.00 178.15 178.75 3dr0 h ALA 85 N 1.14 0.69 -0.25 1.87 0.00 -1.11 0.46 119.26 122.06 3dr0 h ALA 85 Ca 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3dr0 h ALA 85 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dr0 h ALA 85 CO -0.03 0.13 -0.01 0.22 0.00 0.00 0.00 179.25 179.56 3dr0 h ASP 86 N 0.73 0.44 -0.55 0.00 3.58 -0.66 -0.41 116.42 119.56 3dr0 h ASP 86 Ca 0.20 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 3dr0 h ASP 86 Cb -0.08 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 3dr0 h ASP 86 CO -0.05 0.65 0.28 1.56 -2.88 0.00 0.00 179.24 178.80 3dr0 h GLN 87 N 0.22 0.78 0.13 0.28 1.08 -0.47 -1.72 115.11 115.41 3dr0 h GLN 87 Ca 0.07 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3dr0 h GLN 87 Cb 0.43 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3dr0 h GLN 87 CO 0.01 0.63 -0.06 0.00 -0.95 0.00 0.00 178.83 178.46 3dr0 h ALA 88 N 1.11 -0.18 -0.25 3.87 0.00 -0.86 -0.20 119.26 122.74 3dr0 h ALA 88 Ca 0.19 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3dr0 h ALA 88 Cb 0.10 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3dr0 h ALA 88 CO -0.03 -0.39 -0.08 0.93 0.00 0.00 0.00 179.25 179.68 3dr0 h GLU 89 N -0.59 0.40 -0.22 0.00 5.08 -1.06 -2.38 114.58 115.81 3dr0 h GLU 89 Ca -0.02 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3dr0 h GLU 89 Cb 0.46 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3dr0 h GLU 89 CO 0.03 0.50 0.00 0.09 -1.00 0.00 0.00 179.01 178.62 3dr0 n ASN 90 N -4.26 2.50 -4.01 1.42 3.02 -0.65 -4.96 115.26 108.32 3dr0 n ASN 90 Ca 0.00 -1.84 -0.29 0.00 -0.03 0.00 0.00 54.58 52.42 3dr0 n ASN 90 Cb 0.27 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.88 -2.30 -0.02 6.41 3.02 -0.55 -4.83 115.26 117.87 3dr0 n ASN 91 Ca 0.17 -0.94 0.13 0.00 -0.03 0.00 0.00 54.58 53.91 3dr0 n ASN 91 Cb 0.47 -3.24 0.39 0.00 -0.61 0.00 0.00 39.78 36.80 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 -4.45 0.10 0.00 3.52 5.02 -0.20 -5.04 118.16 117.11 3dr0 n LYS 92 Ca -0.11 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3dr0 n LYS 92 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 3dr0 n LYS 92 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21