#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 4.71 0.32 0.00 -1.08 -1.26 -4.98 116.67 114.37 3dr0 s ASP 2 Ca 0.00 -2.38 0.00 0.00 -0.52 0.00 0.00 52.55 49.66 3dr0 s ASP 2 Cb 0.00 -1.65 0.53 0.00 -1.46 0.00 0.00 42.92 40.34 3dr0 s ASP 2 CO 0.00 -0.36 1.96 0.00 0.52 0.00 0.00 175.17 177.29 3dr0 h ALA 3 N 7.36 1.50 -0.43 3.66 0.00 -1.86 -1.17 119.26 128.30 3dr0 h ALA 3 Ca -0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dr0 h ALA 3 Cb 0.99 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3dr0 h ALA 3 CO 0.58 0.43 0.26 0.00 0.00 0.00 0.00 179.25 180.52 3dr0 h ALA 4 N 1.52 0.55 -0.47 0.00 0.00 -1.93 -1.24 119.26 117.70 3dr0 h ALA 4 Ca 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3dr0 h ALA 4 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3dr0 h ALA 4 CO -0.09 0.05 0.15 0.00 0.00 0.00 0.00 179.25 179.37 3dr0 h ALA 5 N 1.11 1.39 0.00 0.00 0.00 -1.82 -2.37 119.26 117.58 3dr0 h ALA 5 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dr0 h ALA 5 Cb 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3dr0 h ALA 5 CO -0.03 0.45 -0.06 0.78 0.00 0.00 0.00 179.25 180.39 3dr0 h GLY 6 N 0.85 0.00 1.59 0.00 0.00 -0.07 -1.78 103.07 103.66 3dr0 h GLY 6 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 3dr0 h GLY 6 CO -0.01 0.00 0.17 0.00 0.00 0.00 0.00 176.54 176.70 3dr0 h ALA 7 N 1.94 1.58 -0.13 3.60 0.00 -0.80 0.18 119.26 125.63 3dr0 h ALA 7 Ca -0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3dr0 h ALA 7 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dr0 h ALA 7 CO 0.01 0.34 -0.26 1.96 0.00 0.00 0.00 179.25 181.30 3dr0 h GLN 8 N 0.53 0.40 -0.88 0.00 4.20 -1.42 -1.53 115.11 116.41 3dr0 h GLN 8 Ca 0.13 -0.26 0.07 0.00 0.06 0.00 0.00 58.65 58.66 3dr0 h GLN 8 Cb 0.09 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 3dr0 h GLN 8 CO -0.02 0.86 0.54 0.28 -0.67 0.00 0.00 178.83 179.83 3dr0 h VAL 9 N -0.00 1.01 -0.33 -0.54 2.07 -1.23 -1.79 116.25 115.44 3dr0 h VAL 9 Ca 0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3dr0 h VAL 9 Cb 0.85 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3dr0 h VAL 9 CO 0.06 0.17 0.07 0.15 0.02 0.00 0.00 177.57 178.04 3dr0 h PHE 10 N 0.96 0.56 -0.75 1.57 3.04 -0.87 -1.09 116.94 120.36 3dr0 h PHE 10 Ca 0.40 -0.07 0.06 0.00 3.98 0.00 0.00 57.97 62.33 3dr0 h PHE 10 Cb 0.24 -0.16 -0.06 0.00 2.56 0.00 0.00 35.95 38.54 3dr0 h PHE 10 CO -0.03 0.59 0.45 0.00 -2.02 0.00 0.00 178.31 177.29 3dr0 h ALA 11 N 0.91 1.01 0.00 2.41 0.00 -0.89 0.53 119.26 123.23 3dr0 h ALA 11 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3dr0 h ALA 11 Cb 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3dr0 h ALA 11 CO 0.00 0.16 -0.68 0.00 0.00 0.00 0.00 179.25 178.74 3dr0 h ALA 12 N 1.36 0.76 0.00 0.00 0.00 -0.99 -3.39 119.26 117.01 3dr0 h ALA 12 Ca 0.33 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3dr0 h ALA 12 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dr0 h ALA 12 CO -0.17 0.85 -0.65 0.09 0.00 0.00 0.00 179.25 179.37 3dr0 n ASN 13 N -3.56 3.23 0.00 0.00 3.02 -0.44 -4.92 115.26 112.59 3dr0 n ASN 13 Ca -0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3dr0 n ASN 13 Cb 0.71 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.55 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 -0.95 0.00 0.00 -1.51 -0.70 119.26 117.11 3dr0 h ALA 15 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 3dr0 h ALA 15 Cb 0.87 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 3dr0 h ALA 15 CO 0.00 0.00 0.60 0.00 0.00 0.00 0.00 179.25 179.85 3dr0 h ALA 16 N 2.02 1.77 0.00 0.00 0.00 -1.86 -2.44 119.26 118.75 3dr0 h ALA 16 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dr0 h ALA 16 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3dr0 h ALA 16 CO 0.00 -0.05 -1.01 0.00 0.00 0.00 0.00 179.25 178.19 3dr0 n HIS 18 N -1.57 0.00 -1.62 0.00 8.25 -0.33 -0.73 115.22 119.22 3dr0 n HIS 18 Ca -0.00 -1.07 -0.45 0.00 -0.26 0.00 0.00 57.72 55.94 3dr0 n HIS 18 Cb 0.17 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.58 0.15 -0.92 -1.41 0.00 -0.92 -1.02 120.51 115.81 3dr0 n ALA 19 Ca 0.14 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3dr0 n ALA 19 Cb 0.83 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.30 0.45 2.15 0.00 0.00 -1.26 -2.46 105.19 105.36 3dr0 n GLY 20 Ca 0.09 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 -1.72 0.49 0.00 -0.02 0.00 -0.19 -4.85 105.19 98.90 3dr0 n GLY 21 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.33 0.00 -3.45 1.61 3.02 -1.03 -0.43 115.26 115.30 3dr0 n ASN 22 Ca -0.01 -0.25 -0.18 0.00 -0.03 0.00 0.00 54.58 54.11 3dr0 n ASN 22 Cb 0.09 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.15 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 1.54 0.48 6.41 3.84 -1.26 -4.29 114.94 120.67 3dr0 s ASN 23 Ca 0.00 -0.44 0.26 0.00 0.21 0.00 0.00 52.86 52.89 3dr0 s ASN 23 Cb 0.00 0.43 1.19 0.00 -0.55 0.00 0.00 41.25 42.32 3dr0 s ASN 23 CO 0.00 -0.35 1.94 0.00 -2.79 0.00 0.00 177.10 175.90 3dr0 h ALA 24 N 8.29 1.12 0.02 1.71 0.00 -1.29 -3.25 119.26 125.86 3dr0 h ALA 24 Ca -0.16 -0.15 -0.37 0.00 0.00 0.00 0.00 54.91 54.23 3dr0 h ALA 24 Cb 1.12 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3dr0 h ALA 24 CO 0.31 0.21 -2.04 0.28 0.00 0.00 0.00 179.25 178.01 3dr0 n VAL 25 N -3.46 1.56 -3.81 0.00 0.31 -1.26 -4.79 118.33 106.88 3dr0 n VAL 25 Ca -0.01 -0.32 -0.30 0.00 -0.01 0.00 0.00 64.34 63.70 3dr0 n VAL 25 Cb 0.34 -1.86 -0.14 0.00 -0.91 0.00 0.00 33.84 31.27 3dr0 n VAL 25 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3dr0 s MET 26 N -2.47 1.30 0.52 5.55 -1.94 -1.25 -5.03 119.30 115.98 3dr0 s MET 26 Ca -0.33 -1.87 0.20 0.00 -1.71 0.00 0.00 55.69 51.98 3dr0 s MET 26 Cb 0.10 -2.57 1.34 0.00 2.01 0.00 0.00 34.83 35.71 3dr0 s MET 26 CO 0.57 -1.07 2.12 -1.00 -0.01 0.00 0.00 175.02 175.63 3dr0 h PRO 27 N 7.17 0.00 0.00 2.03 0.13 -1.86 -1.98 132.00 137.49 3dr0 h PRO 27 Ca -0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 3dr0 h PRO 27 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3dr0 h PRO 27 CO 0.52 0.06 -0.38 1.79 -0.23 0.00 0.00 178.00 179.77 3dr0 h THR 28 N 0.00 0.80 -1.98 1.56 1.35 -1.96 -3.38 112.91 109.31 3dr0 h THR 28 Ca -0.00 -1.62 -0.78 0.00 -0.55 0.00 0.00 66.41 63.46 3dr0 h THR 28 Cb 0.12 2.03 -0.21 0.00 -1.73 0.00 0.00 68.15 68.36 3dr0 h THR 28 CO 0.01 0.37 1.53 0.29 -0.25 0.00 0.00 175.52 177.47 3dr0 n LYS 29 N -3.42 4.46 -1.97 4.72 5.02 -0.74 -4.81 118.16 121.41 3dr0 n LYS 29 Ca 0.00 -4.06 -0.29 0.00 -2.02 0.00 0.00 58.31 51.94 3dr0 n LYS 29 Cb 0.55 -2.65 0.19 0.00 -0.02 0.00 0.00 35.03 33.10 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 -1.85 2.01 -0.29 -0.18 -4.23 -1.26 -4.64 115.64 105.20 3dr0 s THR 30 Ca 0.40 -0.03 0.12 0.00 -1.18 0.00 0.00 61.69 60.99 3dr0 s THR 30 Cb 0.12 -2.97 0.79 0.00 1.34 0.00 0.00 72.50 71.77 3dr0 s THR 30 CO -0.01 0.00 1.77 0.18 -0.54 0.00 0.00 174.62 176.02 3dr0 n LEU 31 N -3.73 5.89 -4.92 4.79 4.77 0.43 -4.26 117.00 119.97 3dr0 n LEU 31 Ca 0.15 -3.02 -0.27 0.00 -0.03 0.00 0.00 56.01 52.84 3dr0 n LEU 31 Cb 0.59 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3dr0 n LEU 31 CO 0.45 0.70 0.18 -0.54 -1.33 0.00 0.00 177.39 176.85 3dr0 s LYS 32 N -2.84 3.56 0.32 3.23 -0.14 -1.25 -4.47 119.74 118.15 3dr0 s LYS 32 Ca 0.54 -0.15 0.02 0.00 -1.36 0.00 0.00 55.97 55.02 3dr0 s LYS 32 Cb 0.42 -2.67 0.58 0.00 -1.68 0.00 0.00 37.83 34.49 3dr0 s LYS 32 CO 0.15 0.20 1.94 0.00 -0.76 0.00 0.00 175.35 176.87 3dr0 h ALA 33 N 1.34 1.55 -0.04 5.17 0.00 -1.93 -0.90 119.26 124.46 3dr0 h ALA 33 Ca -0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3dr0 h ALA 33 Cb 1.20 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3dr0 h ALA 33 CO 0.65 0.34 0.00 0.38 0.00 0.00 0.00 179.25 180.61 3dr0 h ASP 34 N 0.96 0.06 -0.36 0.00 2.03 -1.94 -1.88 116.42 115.29 3dr0 h ASP 34 Ca 0.35 -0.28 -0.07 0.00 -0.73 0.00 0.00 57.03 56.30 3dr0 h ASP 34 Cb 0.15 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.63 3dr0 h ASP 34 CO -0.12 0.33 -0.06 0.00 -1.03 0.00 0.00 179.24 178.36 3dr0 h ALA 35 N 0.74 0.49 -0.93 4.15 0.00 -1.79 -2.39 119.26 119.52 3dr0 h ALA 35 Ca 0.01 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3dr0 h ALA 35 Cb 0.29 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3dr0 h ALA 35 CO 0.00 0.31 0.61 -0.07 0.00 0.00 0.00 179.25 180.10 3dr0 h LEU 36 N 0.47 1.03 -1.14 0.00 3.38 -1.17 -0.02 115.31 117.85 3dr0 h LEU 36 Ca 0.09 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3dr0 h LEU 36 Cb 0.55 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3dr0 h LEU 36 CO 0.03 0.72 -0.37 0.50 0.09 0.00 0.00 178.44 179.41 3dr0 h LYS 37 N 1.20 0.00 0.07 1.13 1.63 -1.19 -0.27 116.57 119.15 3dr0 h LYS 37 Ca 0.36 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.93 3dr0 h LYS 37 Cb -0.05 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.61 3dr0 h LYS 37 CO -0.11 0.37 -0.96 1.15 -3.45 0.00 0.00 179.45 176.45 3dr0 h THR 38 N 0.00 1.36 0.00 1.00 2.02 -0.84 -3.39 112.91 113.06 3dr0 h THR 38 Ca -0.00 -2.33 -0.21 0.00 0.77 0.00 0.00 66.41 64.63 3dr0 h THR 38 Cb 0.78 2.71 -0.04 0.00 -1.74 0.00 0.00 68.15 69.86 3dr0 h THR 38 CO 0.05 0.70 -1.80 -1.22 0.37 0.00 0.00 175.52 173.62 3dr0 n TYR 39 N -3.98 0.00 -2.67 3.16 4.01 -0.09 -4.95 117.16 112.63 3dr0 n TYR 39 Ca -0.12 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.19 3dr0 n TYR 39 Cb 0.86 -0.56 -0.02 0.00 -0.31 0.00 0.00 39.34 39.30 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 -5.15 4.12 0.35 7.72 2.96 -0.12 -4.95 118.68 123.61 3dr0 s LEU 40 Ca -0.10 1.39 -0.26 0.00 -0.22 0.00 0.00 54.13 54.94 3dr0 s LEU 40 Cb 0.04 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 43.07 3dr0 s LEU 40 CO 0.43 -0.63 1.00 0.00 -1.32 0.00 0.00 176.35 175.82 3dr0 n ALA 41 N 6.12 -0.04 0.00 5.97 0.00 -1.26 -0.98 120.51 130.32 3dr0 n ALA 41 Ca 0.11 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3dr0 n ALA 41 Cb 0.46 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 1.21 1.91 0.27 0.00 0.00 -1.26 -4.51 105.19 102.80 3dr0 n GLY 42 Ca 0.09 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 0.95 0.00 1.61 3.20 -1.63 -1.51 116.97 119.59 3dr0 h TYR 43 Ca 0.00 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 3dr0 h TYR 43 Cb 0.00 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 3dr0 h TYR 43 CO 0.00 0.81 -0.11 1.57 -1.64 0.00 0.00 178.16 178.79 3dr0 h LYS 44 N 0.82 0.00 0.00 1.82 2.10 -1.25 -3.11 116.57 116.95 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 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 3dr0 h LYS 44 CO -0.00 0.11 -0.02 -0.40 -2.00 0.00 0.00 179.45 177.14 3dr0 n ASP 45 N -3.78 1.76 -0.57 7.07 5.68 -1.22 -4.91 116.55 120.58 3dr0 n ASP 45 Ca -0.02 -2.10 -0.06 0.00 -0.50 0.00 0.00 54.79 52.10 3dr0 n ASP 45 Cb 0.22 -0.09 -0.02 0.00 -1.14 0.00 0.00 41.12 40.08 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 -0.61 0.58 0.03 6.12 0.00 -1.09 -4.92 105.19 105.29 3dr0 n GLY 46 Ca 0.03 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 0.92 0.49 -3.89 1.61 3.41 -0.64 -4.97 113.62 110.54 3dr0 n SER 47 Ca -0.07 -0.24 -0.10 0.00 -0.26 0.00 0.00 58.87 58.20 3dr0 n SER 47 Cb 0.34 1.23 -0.09 0.00 -0.26 0.00 0.00 64.21 65.43 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 -3.29 0.57 0.85 4.33 1.02 -0.77 -5.00 119.74 117.45 3dr0 s LYS 48 Ca 0.00 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.27 3dr0 s LYS 48 Cb 0.14 0.23 0.10 0.00 -0.52 0.00 0.00 37.83 37.78 3dr0 s LYS 48 CO 0.85 -0.15 1.11 -1.54 -0.92 0.00 0.00 175.35 174.70 3dr0 s SER 49 N -1.87 3.74 0.17 2.83 1.04 -1.26 -3.90 113.70 114.45 3dr0 s SER 49 Ca -0.08 1.90 -0.14 0.00 0.48 0.00 0.00 55.95 58.10 3dr0 s SER 49 Cb -0.03 -2.49 0.12 0.00 0.10 0.00 0.00 66.02 63.71 3dr0 s SER 49 CO -0.02 -2.53 1.76 0.25 0.98 0.00 0.00 173.24 173.67 3dr0 h LEU 50 N -1.47 0.19 -0.38 2.42 5.85 -1.94 -0.04 115.31 119.95 3dr0 h LEU 50 Ca -0.45 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 3dr0 h LEU 50 Cb 1.25 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 3dr0 h LEU 50 CO 0.48 0.14 0.23 -0.08 -0.34 0.00 0.00 178.44 178.88 3dr0 h GLU 51 N 0.34 0.51 -0.64 1.25 4.81 -1.92 0.18 114.58 119.11 3dr0 h GLU 51 Ca 0.20 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3dr0 h GLU 51 Cb 0.18 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3dr0 h GLU 51 CO -0.20 0.38 0.10 0.93 -0.73 0.00 0.00 179.01 179.49 3dr0 h GLU 52 N 0.49 1.06 -0.64 1.92 5.08 -1.83 -1.15 114.58 119.51 3dr0 h GLU 52 Ca 0.14 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 3dr0 h GLU 52 Cb -0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3dr0 h GLU 52 CO -0.03 0.98 0.06 0.00 -1.00 0.00 0.00 179.01 179.02 3dr0 h ALA 53 N 1.10 0.88 -0.29 3.43 0.00 -0.69 -1.06 119.26 122.62 3dr0 h ALA 53 Ca 0.20 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3dr0 h ALA 53 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3dr0 h ALA 53 CO 0.01 0.67 0.00 0.28 0.00 0.00 0.00 179.25 180.22 3dr0 h VAL 54 N 1.01 1.26 -0.85 0.00 2.07 -0.80 -1.92 116.25 117.01 3dr0 h VAL 54 Ca 0.19 -0.93 0.09 0.00 0.82 0.00 0.00 66.70 66.86 3dr0 h VAL 54 Cb 0.50 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 3dr0 h VAL 54 CO 0.02 0.30 0.51 0.00 0.02 0.00 0.00 177.57 178.42 3dr0 h ALA 55 N 0.83 1.21 -0.30 1.67 0.00 -0.94 0.11 119.26 121.84 3dr0 h ALA 55 Ca 0.08 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3dr0 h ALA 55 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3dr0 h ALA 55 CO 0.01 0.17 0.01 -0.92 0.00 0.00 0.00 179.25 178.52 3dr0 h TYR 56 N 0.87 0.57 -0.49 0.00 5.03 -1.01 -0.24 116.97 121.69 3dr0 h TYR 56 Ca 0.40 -0.10 0.01 0.00 2.58 0.00 0.00 58.73 61.62 3dr0 h TYR 56 Cb 0.31 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 3dr0 h TYR 56 CO -0.05 0.65 0.32 0.37 -1.32 0.00 0.00 178.16 178.13 3dr0 h GLN 57 N 0.32 0.63 -0.38 1.82 5.75 -0.84 -1.20 115.11 121.21 3dr0 h GLN 57 Ca 0.09 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 3dr0 h GLN 57 Cb 0.42 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 3dr0 h GLN 57 CO 0.01 0.41 0.01 0.28 -2.65 0.00 0.00 178.83 176.90 3dr0 h VAL 58 N 0.64 1.26 -0.43 2.39 2.07 -0.89 0.63 116.25 121.92 3dr0 h VAL 58 Ca 0.18 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3dr0 h VAL 58 Cb -0.06 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3dr0 h VAL 58 CO -0.05 0.32 0.27 0.74 0.02 0.00 0.00 177.57 178.87 3dr0 h THR 59 N 0.49 1.13 0.00 2.57 2.02 -0.84 0.14 112.91 118.41 3dr0 h THR 59 Ca 0.11 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3dr0 h THR 59 Cb 0.44 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3dr0 h THR 59 CO 0.02 0.12 -1.45 0.59 0.37 0.00 0.00 175.52 175.17 3dr0 n ASN 60 N -4.76 1.17 -0.66 4.18 3.02 -0.47 -1.55 115.26 116.18 3dr0 n ASN 60 Ca 0.01 -0.24 0.09 0.00 -0.03 0.00 0.00 54.58 54.40 3dr0 n ASN 60 Cb 0.04 1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 40.71 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 1.53 -2.02 3.15 7.41 0.00 0.21 -4.41 105.19 111.06 3dr0 n GLY 61 Ca -0.01 -1.33 0.04 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.22 0.51 7.99 1.61 0.74 -0.32 -4.89 119.66 123.07 3dr0 s GLN 62 Ca 0.00 0.53 0.00 0.00 0.05 0.00 0.00 55.36 55.94 3dr0 s GLN 62 Cb 0.00 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.36 3dr0 s GLN 62 CO 0.00 -0.93 0.00 0.41 -0.55 0.00 0.00 175.29 174.22 3dr0 n GLY 63 N 5.39 4.15 0.00 2.59 0.00 -1.26 -1.06 105.19 114.99 3dr0 n GLY 63 Ca 0.05 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 12.57 2.19 -2.60 4.61 0.00 -1.26 -4.46 120.51 131.56 3dr0 n ALA 64 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 3dr0 n ALA 64 Cb 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 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 -2.48 3.76 0.74 0.00 0.00 -0.22 -5.03 119.30 116.07 3dr0 s MET 65 Ca 0.23 0.53 -0.15 0.00 0.00 0.00 0.00 55.69 56.30 3dr0 s MET 65 Cb 0.15 -3.85 0.04 0.00 0.00 0.00 0.00 34.83 31.18 3dr0 s MET 65 CO 0.33 -1.12 1.23 -2.14 0.00 0.00 0.00 175.02 173.33 3dr0 s PRO 66 N 3.81 2.03 0.30 4.11 0.02 -1.26 -1.17 135.00 142.83 3dr0 s PRO 66 Ca 0.41 1.85 -0.28 0.00 0.02 0.00 0.00 61.00 63.00 3dr0 s PRO 66 Cb -0.10 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.51 3dr0 s PRO 66 CO 0.23 -1.94 1.01 0.00 -0.33 0.00 0.00 177.00 175.98 3dr0 s ALA 67 N -1.88 3.29 0.00 -1.55 0.00 -1.26 -3.98 121.76 116.38 3dr0 s ALA 67 Ca 0.76 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.43 3dr0 s ALA 67 Cb -0.31 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3dr0 s ALA 67 CO 0.46 0.01 0.46 1.19 0.00 0.00 0.00 175.76 177.87 3dr0 n PHE 68 N 0.94 0.00 0.28 0.00 3.01 0.48 -4.79 117.46 117.38 3dr0 n PHE 68 Ca 0.00 -0.05 0.14 0.00 1.01 0.00 0.00 57.45 58.55 3dr0 n PHE 68 Cb 0.47 -0.00 0.82 0.00 -0.01 0.00 0.00 39.48 40.76 3dr0 n PHE 68 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3dr0 h GLY 69 N 0.00 0.00 0.86 1.37 0.00 -1.37 -0.69 103.07 103.25 3dr0 h GLY 69 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 3dr0 h GLY 69 CO 0.00 0.00 -1.40 -1.33 0.00 0.00 0.00 176.54 173.81 3dr0 h GLY 70 N 0.43 0.43 1.83 4.60 0.00 -1.87 -3.39 103.07 105.10 3dr0 h GLY 70 Ca -0.00 -1.10 -0.22 0.00 0.00 0.00 0.00 47.33 46.01 3dr0 h GLY 70 CO 0.01 0.96 -1.03 3.21 0.00 0.00 0.00 176.54 179.69 3dr0 h ARG 71 N -0.09 0.14 -5.94 4.80 3.08 -1.82 -3.46 114.38 111.09 3dr0 h ARG 71 Ca -0.27 -0.20 -0.65 0.00 0.07 0.00 0.00 59.98 58.92 3dr0 h ARG 71 Cb 1.93 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 31.96 3dr0 h ARG 71 CO 0.17 1.04 -0.56 -0.51 -1.07 0.00 0.00 179.97 179.05 3dr0 s LEU 72 N -7.07 4.00 0.82 3.04 1.43 -0.29 -5.09 118.68 115.52 3dr0 s LEU 72 Ca -0.02 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 3dr0 s LEU 72 Cb 0.09 -2.30 0.09 0.00 0.03 0.00 0.00 46.19 44.10 3dr0 s LEU 72 CO 0.84 0.29 1.13 -0.94 0.23 0.00 0.00 176.35 177.90 3dr0 s SER 73 N -1.68 3.85 0.25 2.29 1.04 -1.26 -4.79 113.70 113.40 3dr0 s SER 73 Ca 0.23 2.06 -0.04 0.00 0.48 0.00 0.00 55.95 58.67 3dr0 s SER 73 Cb -0.12 -2.55 0.38 0.00 0.10 0.00 0.00 66.02 63.83 3dr0 s SER 73 CO 0.13 -2.48 1.84 0.44 0.98 0.00 0.00 173.24 174.15 3dr0 h ASP 74 N -1.24 0.81 -0.24 7.02 3.32 -1.98 -1.28 116.42 122.82 3dr0 h ASP 74 Ca -0.44 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 3dr0 h ASP 74 Cb 1.26 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3dr0 h ASP 74 CO 0.47 0.49 0.15 0.00 -1.72 0.00 0.00 179.24 178.63 3dr0 h ALA 75 N 1.44 0.31 -0.79 3.45 0.00 -1.99 -1.28 119.26 120.40 3dr0 h ALA 75 Ca 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3dr0 h ALA 75 Cb 0.27 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3dr0 h ALA 75 CO -0.21 -0.20 0.39 -0.44 0.00 0.00 0.00 179.25 178.79 3dr0 h ASP 76 N 0.30 1.03 -0.33 0.00 5.19 -1.75 0.08 116.42 120.94 3dr0 h ASP 76 Ca 0.09 -0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 3dr0 h ASP 76 Cb 0.01 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.24 3dr0 h ASP 76 CO -0.02 0.87 -0.02 0.40 -3.12 0.00 0.00 179.24 177.36 3dr0 h ILE 77 N 1.12 1.26 -0.53 0.35 2.04 -1.03 -0.55 117.51 120.18 3dr0 h ILE 77 Ca 0.27 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3dr0 h ILE 77 Cb 0.11 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3dr0 h ILE 77 CO -0.04 0.33 0.22 0.00 0.00 0.00 0.00 178.15 178.66 3dr0 h ALA 78 N 0.84 0.69 -0.28 1.87 0.00 -0.99 -1.52 119.26 119.86 3dr0 h ALA 78 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3dr0 h ALA 78 Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dr0 h ALA 78 CO 0.02 0.30 -0.09 -0.91 0.00 0.00 0.00 179.25 178.57 3dr0 h ASN 79 N 0.72 0.57 -0.12 0.00 2.35 -0.87 -1.46 115.58 116.78 3dr0 h ASN 79 Ca 0.18 -0.38 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 3dr0 h ASN 79 Cb 0.19 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3dr0 h ASN 79 CO -0.02 0.82 -0.13 1.62 -1.65 0.00 0.00 177.43 178.07 3dr0 h VAL 80 N 0.32 1.23 -0.36 2.81 3.04 -0.97 -0.70 116.25 121.61 3dr0 h VAL 80 Ca 0.07 -1.01 -0.04 0.00 -1.01 0.00 0.00 66.70 64.71 3dr0 h VAL 80 Cb 0.58 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 31.01 3dr0 h VAL 80 CO 0.03 0.33 0.09 0.00 -1.01 0.00 0.00 177.57 177.01 3dr0 h ALA 81 N 1.43 0.47 -0.70 3.17 0.00 -1.16 -0.48 119.26 121.99 3dr0 h ALA 81 Ca 0.08 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3dr0 h ALA 81 Cb 0.49 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3dr0 h ALA 81 CO 0.03 0.14 0.42 0.00 0.00 0.00 0.00 179.25 179.85 3dr0 h ALA 82 N 0.93 0.92 -0.05 0.00 0.00 -1.01 -1.70 119.26 118.36 3dr0 h ALA 82 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dr0 h ALA 82 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dr0 h ALA 82 CO 0.00 0.17 0.03 -0.92 0.00 0.00 0.00 179.25 178.53 3dr0 h TYR 83 N 0.82 0.06 -0.46 0.00 3.20 -0.79 -1.25 116.97 118.55 3dr0 h TYR 83 Ca 0.29 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 3dr0 h TYR 83 Cb 0.07 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3dr0 h TYR 83 CO -0.05 0.07 0.27 0.82 -1.64 0.00 0.00 178.16 177.63 3dr0 h ILE 84 N 0.03 1.15 -0.50 1.81 2.04 -0.93 0.20 117.51 121.31 3dr0 h ILE 84 Ca 0.02 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.56 3dr0 h ILE 84 Cb 0.03 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3dr0 h ILE 84 CO -0.00 0.15 0.28 0.00 0.00 0.00 0.00 178.15 178.58 3dr0 h ALA 85 N 1.12 0.64 -0.29 1.87 0.00 -1.18 -0.36 119.26 121.06 3dr0 h ALA 85 Ca 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3dr0 h ALA 85 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dr0 h ALA 85 CO -0.03 -0.05 -0.01 0.22 0.00 0.00 0.00 179.25 179.38 3dr0 h ASP 86 N 0.54 0.50 -0.35 0.00 3.58 -0.89 -0.72 116.42 119.08 3dr0 h ASP 86 Ca 0.21 -0.32 0.02 0.00 0.42 0.00 0.00 57.03 57.36 3dr0 h ASP 86 Cb 0.08 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 3dr0 h ASP 86 CO -0.12 0.70 0.20 1.56 -2.88 0.00 0.00 179.24 178.69 3dr0 h GLN 87 N 0.30 0.39 0.01 0.28 1.08 -0.74 -1.93 115.11 114.50 3dr0 h GLN 87 Ca 0.08 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3dr0 h GLN 87 Cb 0.44 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3dr0 h GLN 87 CO 0.02 0.26 -0.01 0.00 -0.95 0.00 0.00 178.83 178.15 3dr0 h ALA 88 N 1.16 -0.02 -0.27 3.87 0.00 -1.01 -0.57 119.26 122.41 3dr0 h ALA 88 Ca 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3dr0 h ALA 88 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3dr0 h ALA 88 CO -0.07 -0.27 -0.05 0.93 0.00 0.00 0.00 179.25 179.79 3dr0 h GLU 89 N -0.51 0.43 -0.17 0.00 5.08 -1.14 -2.43 114.58 115.84 3dr0 h GLU 89 Ca -0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3dr0 h GLU 89 Cb 0.49 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3dr0 h GLU 89 CO 0.00 0.50 0.00 0.09 -1.00 0.00 0.00 179.01 178.61 3dr0 n ASN 90 N -4.27 2.29 -3.92 1.42 3.02 -0.73 -4.96 115.26 108.10 3dr0 n ASN 90 Ca 0.01 -1.79 -0.27 0.00 -0.03 0.00 0.00 54.58 52.51 3dr0 n ASN 90 Cb 0.26 -0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.74 -1.54 0.15 6.41 3.02 -0.52 -4.89 115.26 118.62 3dr0 n ASN 91 Ca 0.17 -0.93 0.08 0.00 -0.03 0.00 0.00 54.58 53.87 3dr0 n ASN 91 Cb 0.44 -3.37 0.06 0.00 -0.61 0.00 0.00 39.78 36.30 3dr0 n ASN 91 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3dr0 h LYS 92 N -1.83 0.00 0.00 3.52 1.57 -1.43 -3.50 116.57 114.90 3dr0 h LYS 92 Ca -0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 3dr0 h LYS 92 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3dr0 h LYS 92 CO 0.64 0.16 0.00 0.91 -0.57 0.00 0.00 179.45 180.59