#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dbd n ARG 2 N 0.00 0.00 -3.34 2.89 5.12 -1.26 -5.00 116.66 115.08 1dbd n ARG 2 Ca 0.00 0.20 -0.45 0.00 -1.93 0.00 0.00 57.85 55.67 1dbd n ARG 2 Cb 0.00 -0.64 -0.06 0.00 -1.16 0.00 0.00 32.46 30.60 1dbd n ARG 2 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1dbd s THR 3 N -0.75 5.19 -0.91 0.55 2.01 -1.26 -5.12 115.64 115.37 1dbd s THR 3 Ca 0.00 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 60.81 1dbd s THR 3 Cb 0.00 -4.22 0.31 0.00 0.01 0.00 0.00 72.50 68.59 1dbd s THR 3 CO 0.00 -0.71 1.39 0.35 -0.69 0.00 0.00 174.62 174.96 1dbd n THR 4 N 5.25 4.75 -1.07 -0.82 -2.24 -1.26 -5.01 114.28 113.89 1dbd n THR 4 Ca -0.13 -5.79 0.00 0.00 -2.27 0.00 0.00 64.05 55.87 1dbd n THR 4 Cb 0.42 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 1dbd n THR 4 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1dbd n ASN 5 N 0.50 0.00 -4.87 3.42 6.94 -1.26 -5.08 115.26 114.91 1dbd n ASN 5 Ca 0.35 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.54 1dbd n ASN 5 Cb 0.33 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.69 1dbd n ASN 5 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1dbd s ASP 6 N -1.00 6.48 0.20 0.53 1.11 -1.26 -5.06 116.67 117.67 1dbd s ASP 6 Ca 0.00 0.57 -0.30 0.00 0.18 0.00 0.00 52.55 53.00 1dbd s ASP 6 Cb 0.00 -2.10 -0.08 0.00 1.07 0.00 0.00 42.92 41.80 1dbd s ASP 6 CO 0.00 0.38 1.13 -0.83 1.18 0.00 0.00 175.17 177.03 1dbd s GLY 7 N -1.12 2.84 -1.46 0.21 0.00 -1.26 -4.96 107.32 101.56 1dbd s GLY 7 Ca 0.18 0.88 -0.12 0.00 0.00 0.00 0.00 44.72 45.66 1dbd s GLY 7 CO 0.07 1.69 2.33 0.69 0.00 0.00 0.00 173.10 177.89 1dbd n PHE 8 N 2.16 3.19 -4.68 1.90 3.01 -1.26 -4.84 117.46 116.94 1dbd n PHE 8 Ca 0.02 -2.97 -0.33 0.00 1.01 0.00 0.00 57.45 55.19 1dbd n PHE 8 Cb 0.45 -2.43 -0.16 0.00 -0.01 0.00 0.00 39.48 37.34 1dbd n PHE 8 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1dbd s HIS 9 N 2.41 2.73 -2.27 1.38 3.76 -1.26 -5.05 115.29 117.00 1dbd s HIS 9 Ca 0.51 -1.06 0.23 0.00 -0.15 0.00 0.00 55.06 54.58 1dbd s HIS 9 Cb 0.14 -1.84 0.09 0.00 1.11 0.00 0.00 32.58 32.08 1dbd s HIS 9 CO -0.07 -0.47 1.16 1.28 -0.85 0.00 0.00 174.74 175.79 1dbd n LEU 10 N 3.93 2.22 -1.05 0.89 4.77 -1.26 -4.43 117.00 122.07 1dbd n LEU 10 Ca -0.19 -0.79 0.06 0.00 -0.03 0.00 0.00 56.01 55.06 1dbd n LEU 10 Cb 0.52 -0.01 0.22 0.00 -2.33 0.00 0.00 43.42 41.83 1dbd n LEU 10 CO 0.28 0.40 0.66 0.18 -1.33 0.00 0.00 177.39 177.58 1dbd n LEU 11 N 0.29 3.05 -0.14 2.23 4.77 -1.26 -4.51 117.00 121.43 1dbd n LEU 11 Ca 0.11 -1.54 -0.08 0.00 -0.03 0.00 0.00 56.01 54.47 1dbd n LEU 11 Cb 0.49 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1dbd n LEU 11 CO 0.25 0.57 0.99 0.50 -1.33 0.00 0.00 177.39 178.37 1dbd h LYS 12 N 2.63 0.58 -6.55 3.23 3.64 -1.95 -3.44 116.57 114.70 1dbd h LYS 12 Ca 0.00 -0.07 -0.53 0.00 -1.27 0.00 0.00 60.65 58.79 1dbd h LYS 12 Cb 0.93 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1dbd h LYS 12 CO 0.12 0.46 0.58 0.00 -2.27 0.00 0.00 179.45 178.33 1dbd s ALA 13 N -5.88 3.43 -0.99 5.00 0.00 -1.26 -4.86 121.76 117.20 1dbd s ALA 13 Ca -0.13 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 1dbd s ALA 13 Cb 0.11 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 1dbd s ALA 13 CO 0.74 -0.43 2.36 0.41 0.00 0.00 0.00 175.76 178.85 1dbd n GLY 14 N 2.88 3.30 0.00 0.00 0.00 -1.26 -2.06 105.19 108.06 1dbd n GLY 14 Ca 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1dbd n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dbd n GLY 15 N 3.61 0.00 3.19 -0.02 0.00 -1.26 -5.08 105.19 105.63 1dbd n GLY 15 Ca 0.51 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.13 1dbd n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dbd s SER 16 N 0.00 6.41 0.15 1.61 0.01 -0.87 -4.05 113.70 116.95 1dbd s SER 16 Ca 0.00 -3.56 -0.26 0.00 1.31 0.00 0.00 55.95 53.44 1dbd s SER 16 Cb 0.00 -2.02 -0.07 0.00 0.21 0.00 0.00 66.02 64.14 1dbd s SER 16 CO 0.00 -0.25 0.80 0.00 0.41 0.00 0.00 173.24 174.20 1dbd s PHE 18 N -0.86 3.05 -0.26 0.00 -0.71 0.11 -2.49 117.98 116.83 1dbd s PHE 18 Ca 0.38 -1.29 -0.29 0.00 -1.04 0.00 0.00 56.93 54.69 1dbd s PHE 18 Cb -0.23 -2.11 -0.01 0.00 -1.21 0.00 0.00 43.02 39.47 1dbd s PHE 18 CO 0.26 -0.66 1.35 0.00 -1.34 0.00 0.00 175.22 174.84 1dbd s ALA 19 N 1.40 3.41 -0.32 1.99 0.00 0.78 -0.02 121.76 129.00 1dbd s ALA 19 Ca 0.02 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 1dbd s ALA 19 Cb -0.16 -3.76 -0.02 0.00 0.00 0.00 0.00 23.12 19.19 1dbd s ALA 19 CO -0.03 -1.68 0.20 -1.17 0.00 0.00 0.00 175.76 173.09 1dbd s LEU 20 N 4.34 4.33 -0.34 0.00 2.96 0.64 -0.27 118.68 130.35 1dbd s LEU 20 Ca 0.59 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 1dbd s LEU 20 Cb -0.19 -2.09 0.07 0.00 0.50 0.00 0.00 46.19 44.48 1dbd s LEU 20 CO 0.23 -0.21 0.06 -0.63 -1.32 0.00 0.00 176.35 174.48 1dbd s ILE 21 N 1.68 3.00 -1.13 6.68 1.09 0.54 -1.20 121.20 131.86 1dbd s ILE 21 Ca 0.06 -1.68 -0.03 0.00 -1.10 0.00 0.00 60.65 57.90 1dbd s ILE 21 Cb -0.17 -2.87 0.23 0.00 -1.06 0.00 0.00 42.46 38.59 1dbd s ILE 21 CO 0.09 -0.32 2.09 -1.20 -0.10 0.00 0.00 174.94 175.49 1dbd n SER 22 N 4.58 7.64 -4.81 3.58 7.64 -1.20 -1.38 113.62 129.67 1dbd n SER 22 Ca -0.08 -3.46 -0.32 0.00 1.01 0.00 0.00 58.87 56.01 1dbd n SER 22 Cb 0.43 -1.25 0.02 0.00 -1.01 0.00 0.00 64.21 62.40 1dbd n SER 22 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1dbd s GLY 23 N -0.59 2.02 0.25 0.23 0.00 -1.17 -4.59 107.32 103.46 1dbd s GLY 23 Ca 0.46 0.31 -0.30 0.00 0.00 0.00 0.00 44.72 45.19 1dbd s GLY 23 CO -0.13 0.62 1.51 -1.59 0.00 0.00 0.00 173.10 173.52 1dbd s THR 24 N -2.60 2.43 0.16 0.90 2.01 -1.26 0.09 115.64 117.37 1dbd s THR 24 Ca 0.62 0.36 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 1dbd s THR 24 Cb -0.15 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1dbd s THR 24 CO 0.41 0.05 1.55 0.00 -0.69 0.00 0.00 174.62 175.95 1dbd h ALA 25 N 5.21 -0.51 -0.60 7.40 0.00 -1.90 0.11 119.26 128.96 1dbd h ALA 25 Ca -0.46 0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.62 1dbd h ALA 25 Cb 1.22 1.11 -0.07 0.00 0.00 0.00 0.00 17.79 20.05 1dbd h ALA 25 CO 0.80 -0.93 0.26 -0.91 0.00 0.00 0.00 179.25 178.47 1dbd h ASN 26 N -0.23 0.31 -0.35 0.00 2.35 -1.95 0.15 115.58 115.86 1dbd h ASN 26 Ca 0.15 0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1dbd h ASN 26 Cb 0.54 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1dbd h ASN 26 CO -0.73 0.19 -0.07 -0.61 -1.65 0.00 0.00 177.43 174.56 1dbd h GLN 27 N 0.47 0.66 -0.72 0.81 4.15 -1.52 -0.31 115.11 118.65 1dbd h GLN 27 Ca 0.29 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 1dbd h GLN 27 Cb 0.32 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1dbd h GLN 27 CO -0.26 0.82 0.29 0.28 -1.93 0.00 0.00 178.83 178.02 1dbd h VAL 28 N 0.45 1.25 -0.25 2.39 2.07 -0.42 0.34 116.25 122.09 1dbd h VAL 28 Ca 0.09 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1dbd h VAL 28 Cb 0.57 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1dbd h VAL 28 CO 0.03 0.32 0.13 0.50 0.02 0.00 0.00 177.57 178.56 1dbd h LYS 29 N 1.03 0.26 0.05 1.57 3.64 -0.60 0.01 116.57 122.53 1dbd h LYS 29 Ca 0.24 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1dbd h LYS 29 Cb 0.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1dbd h LYS 29 CO -0.02 0.17 -0.02 0.00 -2.27 0.00 0.00 179.45 177.31 1dbd h TYR 31 N -0.14 -1.40 -0.74 0.00 3.20 -0.05 0.31 116.97 118.15 1dbd h TYR 31 Ca -0.01 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1dbd h TYR 31 Cb 0.12 0.66 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 1dbd h TYR 31 CO -0.05 -0.47 0.33 -0.09 -1.64 0.00 0.00 178.16 176.23 1dbd h ARG 32 N -0.40 1.08 -0.77 1.82 2.43 -1.05 0.23 114.38 117.72 1dbd h ARG 32 Ca 0.10 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1dbd h ARG 32 Cb 0.61 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1dbd h ARG 32 CO -0.54 0.86 0.43 0.35 -1.51 0.00 0.00 179.97 179.56 1dbd h PHE 33 N 1.05 1.05 -0.04 2.20 3.57 -1.18 -1.91 116.94 121.68 1dbd h PHE 33 Ca 0.25 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 1dbd h PHE 33 Cb 0.16 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1dbd h PHE 33 CO 0.01 0.73 -0.19 -0.09 -2.23 0.00 0.00 178.31 176.54 1dbd h ARG 34 N 1.06 0.20 -0.52 1.11 2.43 -0.50 -3.35 114.38 114.81 1dbd h ARG 34 Ca 0.27 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1dbd h ARG 34 Cb 0.02 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1dbd h ARG 34 CO -0.04 0.82 0.32 0.28 -1.51 0.00 0.00 179.97 179.83 1dbd h VAL 35 N -0.36 1.15 -0.79 0.20 2.07 -0.53 -3.33 116.25 114.66 1dbd h VAL 35 Ca -0.01 -0.34 0.18 0.00 0.82 0.00 0.00 66.70 67.35 1dbd h VAL 35 Cb 0.85 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1dbd h VAL 35 CO 0.04 0.16 0.53 0.50 0.02 0.00 0.00 177.57 178.82 1dbd h LYS 36 N 0.70 0.31 0.00 1.57 3.64 -1.48 0.11 116.57 121.42 1dbd h LYS 36 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1dbd h LYS 36 Cb -0.02 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1dbd h LYS 36 CO -0.04 0.21 0.00 1.63 -2.27 0.00 0.00 179.45 178.98 1dbd n LYS 37 N -4.46 0.00 -0.08 1.90 5.02 -1.25 -3.94 118.16 115.35 1dbd n LYS 37 Ca 0.16 0.53 -0.07 0.00 -2.02 0.00 0.00 58.31 56.90 1dbd n LYS 37 Cb 0.63 -1.42 -0.16 0.00 -0.02 0.00 0.00 35.03 34.06 1dbd n LYS 37 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1dbd n ASN 38 N -1.96 0.04 -2.21 4.39 4.13 -1.15 -4.48 115.26 114.02 1dbd n ASN 38 Ca 0.00 0.02 -0.30 0.00 1.68 0.00 0.00 54.58 55.98 1dbd n ASN 38 Cb 0.00 1.09 0.10 0.00 -1.54 0.00 0.00 39.78 39.43 1dbd n ASN 38 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1dbd n HIS 39 N -2.69 3.03 -0.12 3.10 8.25 0.36 -4.33 115.22 122.81 1dbd n HIS 39 Ca -0.28 -2.65 -0.13 0.00 -0.26 0.00 0.00 57.72 54.40 1dbd n HIS 39 Cb 1.07 -1.18 -0.02 0.00 1.12 0.00 0.00 29.99 30.97 1dbd n HIS 39 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1dbd h ARG 40 N 1.79 0.94 0.00 -0.41 1.12 -1.68 -3.10 114.38 113.04 1dbd h ARG 40 Ca 0.57 -0.49 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 1dbd h ARG 40 Cb 1.32 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.29 1dbd h ARG 40 CO 1.35 1.15 0.00 -2.39 -3.11 0.00 0.00 179.97 176.97 1dbd n HIS 41 N -4.07 0.00 1.15 2.20 1.44 -1.26 -1.79 115.22 112.89 1dbd n HIS 41 Ca -0.02 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.82 1dbd n HIS 41 Cb 0.54 0.00 0.35 0.00 0.12 0.00 0.00 29.99 31.00 1dbd n HIS 41 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1dbd n ARG 42 N -0.78 0.45 -4.03 -1.40 5.12 -1.17 -4.92 116.66 109.94 1dbd n ARG 42 Ca 0.03 -0.25 -0.10 0.00 -1.93 0.00 0.00 57.85 55.60 1dbd n ARG 42 Cb 0.01 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 29.75 1dbd n ARG 42 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1dbd s TYR 43 N -2.72 0.55 -0.02 -1.55 1.13 -0.74 -4.84 117.35 109.16 1dbd s TYR 43 Ca 0.19 -0.88 -0.03 0.00 -1.41 0.00 0.00 57.07 54.94 1dbd s TYR 43 Cb 0.19 -0.02 -0.01 0.00 -1.10 0.00 0.00 41.96 41.01 1dbd s TYR 43 CO 0.59 -0.86 -0.06 0.39 -2.51 0.00 0.00 175.55 173.10 1dbd n GLU 44 N -0.33 0.09 -4.38 -3.49 1.02 -1.22 -4.97 120.64 107.36 1dbd n GLU 44 Ca -0.02 0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.92 1dbd n GLU 44 Cb 0.63 -0.52 -0.11 0.00 -0.02 0.00 0.00 31.44 31.42 1dbd n GLU 44 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1dbd s ASN 45 N -4.79 3.06 0.31 1.62 0.01 -1.21 -5.05 114.94 108.89 1dbd s ASN 45 Ca -0.05 -0.89 -0.08 0.00 -0.71 0.00 0.00 52.86 51.13 1dbd s ASN 45 Cb 0.01 -0.21 0.01 0.00 0.41 0.00 0.00 41.25 41.46 1dbd s ASN 45 CO 0.07 0.03 0.51 0.00 -1.51 0.00 0.00 177.10 176.20 1dbd n THR 47 N -0.48 0.00 -0.52 0.00 -2.24 -0.82 -5.02 114.28 105.20 1dbd n THR 47 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1dbd n THR 47 Cb 0.62 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 1dbd n THR 47 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dbd n THR 48 N 0.00 0.00 -3.79 4.28 -2.24 -1.26 -4.94 114.28 106.33 1dbd n THR 48 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1dbd n THR 48 Cb 0.00 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 67.90 1dbd n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1dbd s THR 49 N 1.24 5.34 0.33 4.28 -4.23 -1.26 -4.52 115.64 116.81 1dbd s THR 49 Ca 0.00 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 60.71 1dbd s THR 49 Cb 0.00 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.27 1dbd s THR 49 CO 0.00 0.40 0.32 -1.66 -0.54 0.00 0.00 174.62 173.13 1dbd s TRP 50 N -1.26 1.60 0.04 3.99 1.48 -1.18 -4.95 118.94 118.65 1dbd s TRP 50 Ca 0.26 -1.58 0.00 0.00 -1.06 0.00 0.00 56.10 53.72 1dbd s TRP 50 Cb -0.13 -0.58 -0.03 0.00 -1.16 0.00 0.00 33.47 31.57 1dbd s TRP 50 CO 0.15 -0.92 -0.04 -0.06 -4.06 0.00 0.00 176.95 172.01 1dbd s PHE 51 N -3.38 0.47 0.03 1.66 0.08 -1.26 -0.35 117.98 115.24 1dbd s PHE 51 Ca 0.39 -0.68 0.07 0.00 0.12 0.00 0.00 56.93 56.83 1dbd s PHE 51 Cb 0.02 -0.32 -0.03 0.00 -0.57 0.00 0.00 43.02 42.12 1dbd s PHE 51 CO 0.26 -0.20 -0.20 0.99 -0.10 0.00 0.00 175.22 175.96 1dbd s THR 52 N -2.20 2.62 0.29 0.64 2.01 -1.26 -4.97 115.64 112.78 1dbd s THR 52 Ca -0.07 -1.20 -0.11 0.00 0.31 0.00 0.00 61.69 60.61 1dbd s THR 52 Cb -0.05 -2.07 -0.08 0.00 0.01 0.00 0.00 72.50 70.31 1dbd s THR 52 CO -0.03 0.37 0.65 0.68 -0.69 0.00 0.00 174.62 175.60 1dbd s VAL 53 N -0.87 4.83 0.76 3.82 -7.23 -1.26 -0.45 120.40 119.99 1dbd s VAL 53 Ca 0.14 0.64 -0.05 0.00 -1.81 0.00 0.00 61.98 60.90 1dbd s VAL 53 Cb -0.10 -3.64 0.13 0.00 0.56 0.00 0.00 36.38 33.33 1dbd s VAL 53 CO 0.04 -0.19 1.05 0.00 -0.31 0.00 0.00 175.10 175.69 1dbd s ALA 54 N -1.97 3.34 0.00 1.32 0.00 -0.36 -4.91 121.76 119.17 1dbd s ALA 54 Ca 0.50 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1dbd s ALA 54 Cb -0.11 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1dbd s ALA 54 CO 0.22 -1.60 0.00 -3.47 0.00 0.00 0.00 175.76 170.91 1dbd n ASP 55 N -3.01 0.00 -0.02 0.00 -0.08 -1.26 -4.85 116.55 107.34 1dbd n ASP 55 Ca 0.14 0.20 -0.22 0.00 -1.51 0.00 0.00 54.79 53.40 1dbd n ASP 55 Cb 0.60 -0.38 -0.13 0.00 2.34 0.00 0.00 41.12 43.55 1dbd n ASP 55 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1dbd h ASN 56 N 0.00 0.33 -4.24 1.67 -0.26 -1.98 -3.46 115.58 107.64 1dbd h ASN 56 Ca 0.00 -0.85 -0.50 0.00 -0.56 0.00 0.00 56.30 54.39 1dbd h ASN 56 Cb 0.00 -0.11 0.08 0.00 -1.06 0.00 0.00 38.32 37.23 1dbd h ASN 56 CO 0.00 1.76 0.37 -0.83 -1.06 0.00 0.00 177.43 177.67 1dbd s GLY 57 N -5.36 1.99 0.00 2.83 0.00 -1.26 -4.91 107.32 100.62 1dbd s GLY 57 Ca -0.23 0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1dbd s GLY 57 CO 0.73 0.65 0.85 0.00 0.00 0.00 0.00 173.10 175.33 1dbd n ALA 58 N -2.42 2.49 -2.73 3.20 0.00 -1.26 -4.78 120.51 115.02 1dbd n ALA 58 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 1dbd n ALA 58 Cb 0.53 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 1dbd n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1dbd s GLU 59 N 0.65 2.63 0.00 0.00 0.41 -1.26 -5.05 118.70 116.08 1dbd s GLU 59 Ca 0.00 -1.09 0.00 0.00 -0.41 0.00 0.00 54.97 53.47 1dbd s GLU 59 Cb 0.00 -2.45 0.00 0.00 -1.78 0.00 0.00 34.13 29.90 1dbd s GLU 59 CO 0.00 0.43 0.00 0.54 -0.49 0.00 0.00 175.26 175.74 1dbd n ARG 60 N -0.56 2.40 -3.61 1.61 3.00 -1.26 -1.23 116.66 117.01 1dbd n ARG 60 Ca -0.08 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.39 1dbd n ARG 60 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.94 1dbd n ARG 60 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1dbd s GLN 61 N -1.15 4.15 0.21 5.56 1.11 0.41 -4.69 119.66 125.26 1dbd s GLN 61 Ca 0.00 -0.12 0.04 0.00 0.01 0.00 0.00 55.36 55.30 1dbd s GLN 61 Cb 0.00 -3.49 0.16 0.00 -1.01 0.00 0.00 33.01 28.67 1dbd s GLN 61 CO 0.00 0.14 1.50 0.78 0.01 0.00 0.00 175.29 177.71 1dbd h GLY 62 N 7.17 0.22 -4.08 3.09 0.00 -1.98 -3.41 103.07 104.07 1dbd h GLY 62 Ca -0.39 -0.31 -0.54 0.00 0.00 0.00 0.00 47.33 46.09 1dbd h GLY 62 CO 0.71 0.28 0.77 -1.06 0.00 0.00 0.00 176.54 177.24 1dbd n GLN 63 N -3.78 2.62 -2.90 4.80 3.00 -1.26 -4.40 117.38 115.45 1dbd n GLN 63 Ca -0.03 0.92 -0.43 0.00 -0.01 0.00 0.00 57.00 57.46 1dbd n GLN 63 Cb 0.69 -2.65 -0.05 0.00 0.00 0.00 0.00 30.24 28.23 1dbd n GLN 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1dbd s ALA 64 N -0.83 3.28 -0.82 -1.58 0.00 0.11 -4.72 121.76 117.21 1dbd s ALA 64 Ca 0.56 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 1dbd s ALA 64 Cb -0.49 -3.53 0.14 0.00 0.00 0.00 0.00 23.12 19.24 1dbd s ALA 64 CO 0.60 -1.93 0.95 -1.14 0.00 0.00 0.00 175.76 174.23 1dbd s GLN 65 N 3.46 3.45 0.25 0.00 0.74 0.53 -3.06 119.66 125.02 1dbd s GLN 65 Ca 0.33 -1.77 -0.13 0.00 0.05 0.00 0.00 55.36 53.84 1dbd s GLN 65 Cb -0.11 -4.62 -0.08 0.00 1.10 0.00 0.00 33.01 29.30 1dbd s GLN 65 CO 0.24 -1.62 0.63 0.96 -0.55 0.00 0.00 175.29 174.95 1dbd s ILE 66 N 2.21 4.80 -0.11 -2.34 -4.36 -0.48 -3.10 121.20 117.82 1dbd s ILE 66 Ca 0.24 0.78 0.03 0.00 -0.26 0.00 0.00 60.65 61.45 1dbd s ILE 66 Cb -0.11 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 39.95 1dbd s ILE 66 CO -0.05 -0.02 -0.22 -0.22 0.24 0.00 0.00 174.94 174.66 1dbd s LEU 67 N -2.63 2.05 -0.13 0.37 0.20 -1.26 -0.34 118.68 116.94 1dbd s LEU 67 Ca 0.47 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.74 1dbd s LEU 67 Cb -0.12 -1.37 0.02 0.00 -0.43 0.00 0.00 46.19 44.29 1dbd s LEU 67 CO 0.19 0.12 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.63 1dbd s ILE 68 N 0.52 1.36 -0.39 6.68 1.01 0.63 -1.94 121.20 129.07 1dbd s ILE 68 Ca -0.15 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 1dbd s ILE 68 Cb -0.17 -1.31 0.07 0.00 0.01 0.00 0.00 42.46 41.06 1dbd s ILE 68 CO 0.05 0.42 0.19 0.42 0.00 0.00 0.00 174.94 176.02 1dbd s THR 69 N 1.57 3.89 -0.02 2.92 -4.23 -0.66 -0.15 115.64 118.95 1dbd s THR 69 Ca 0.05 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 1dbd s THR 69 Cb -0.13 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 1dbd s THR 69 CO -0.10 -0.41 -0.15 0.72 -0.54 0.00 0.00 174.62 174.15 1dbd s PHE 70 N 1.37 2.68 0.03 3.99 -0.12 -1.04 -3.28 117.98 121.61 1dbd s PHE 70 Ca 0.02 -0.17 -0.18 0.00 -0.05 0.00 0.00 56.93 56.54 1dbd s PHE 70 Cb -0.22 -1.59 -0.19 0.00 -0.63 0.00 0.00 43.02 40.39 1dbd s PHE 70 CO 0.01 0.21 1.20 0.78 -0.05 0.00 0.00 175.22 177.37 1dbd h GLY 71 N 5.10 0.53 -4.81 1.99 0.00 -1.87 -2.81 103.07 101.19 1dbd h GLY 71 Ca -0.47 -0.78 -0.55 0.00 0.00 0.00 0.00 47.33 45.53 1dbd h GLY 71 CO 0.50 0.70 0.74 -0.56 0.00 0.00 0.00 176.54 177.92 1dbd s SER 72 N -6.67 6.99 0.36 0.19 0.01 -1.26 -4.90 113.70 108.42 1dbd s SER 72 Ca -0.13 1.89 0.27 0.00 1.31 0.00 0.00 55.95 59.30 1dbd s SER 72 Cb 0.05 -2.56 1.06 0.00 0.21 0.00 0.00 66.02 64.78 1dbd s SER 72 CO 0.82 -0.62 1.80 1.55 0.41 0.00 0.00 173.24 177.20 1dbd h PRO 73 N 7.57 0.00 -0.26 12.44 0.13 -1.97 -2.81 132.00 147.10 1dbd h PRO 73 Ca -0.35 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1dbd h PRO 73 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1dbd h PRO 73 CO 0.89 0.00 0.07 0.77 -0.23 0.00 0.00 178.00 179.50 1dbd h SER 74 N 0.00 0.33 -0.44 1.44 0.02 -1.97 0.62 113.55 113.55 1dbd h SER 74 Ca 0.00 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1dbd h SER 74 Cb 0.48 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1dbd h SER 74 CO 0.00 0.34 0.08 1.56 -1.14 0.00 0.00 176.83 177.67 1dbd h GLN 75 N 0.37 0.72 -0.50 3.45 4.20 -1.85 0.25 115.11 121.76 1dbd h GLN 75 Ca 0.09 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1dbd h GLN 75 Cb 0.13 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1dbd h GLN 75 CO -0.01 0.74 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.74 1dbd h ARG 76 N 0.59 0.88 0.08 1.46 2.43 -1.58 -2.49 114.38 115.75 1dbd h ARG 76 Ca 0.13 -0.28 -0.34 0.00 -0.81 0.00 0.00 59.98 58.68 1dbd h ARG 76 Cb 0.36 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1dbd h ARG 76 CO 0.01 0.92 -1.88 0.94 -1.51 0.00 0.00 179.97 178.45 1dbd n GLN 77 N -4.17 0.69 0.00 0.20 7.27 0.18 -3.77 117.38 117.78 1dbd n GLN 77 Ca 0.02 0.33 0.10 0.00 0.07 0.00 0.00 57.00 57.53 1dbd n GLN 77 Cb 0.35 -1.69 0.54 0.00 2.41 0.00 0.00 30.24 31.85 1dbd n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1dbd n ASP 78 N -3.74 0.00 -0.30 1.69 8.00 0.87 -3.78 116.55 119.29 1dbd n ASP 78 Ca -0.34 -0.13 -0.10 0.00 0.71 0.00 0.00 54.79 54.92 1dbd n ASP 78 Cb 0.94 -0.23 -0.08 0.00 -0.02 0.00 0.00 41.12 41.74 1dbd n ASP 78 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1dbd h PHE 79 N 0.00 -1.66 0.00 1.24 3.04 -1.53 -2.16 116.94 115.87 1dbd h PHE 79 Ca 0.00 0.11 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1dbd h PHE 79 Cb 0.16 0.82 -0.00 0.00 2.56 0.00 0.00 35.95 39.49 1dbd h PHE 79 CO 0.00 -0.42 -0.07 1.25 -2.02 0.00 0.00 178.31 177.05 1dbd h LEU 80 N -0.16 0.00 0.28 0.59 5.85 -1.74 0.34 115.31 120.47 1dbd h LEU 80 Ca 0.16 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1dbd h LEU 80 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1dbd h LEU 80 CO -0.80 0.07 -0.14 0.11 -0.34 0.00 0.00 178.44 177.34 1dbd h LYS 81 N 0.00 -0.37 0.12 1.25 1.57 -1.71 -3.29 116.57 114.14 1dbd h LYS 81 Ca -0.00 0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 1dbd h LYS 81 Cb 0.35 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1dbd h LYS 81 CO 0.01 -0.14 -0.86 0.45 -0.57 0.00 0.00 179.45 178.34 1dbd h HIS 82 N -1.05 0.44 -2.80 -1.35 3.86 -1.03 -3.41 115.15 109.81 1dbd h HIS 82 Ca -0.04 -0.32 -0.59 0.00 -1.16 0.00 0.00 60.37 58.26 1dbd h HIS 82 Cb 0.39 -0.02 -0.40 0.00 1.06 0.00 0.00 27.41 28.45 1dbd h HIS 82 CO 0.02 1.33 -0.79 0.54 0.86 0.00 0.00 177.93 179.89 1dbd s VAL 83 N -2.41 0.63 0.39 2.45 0.11 0.12 -5.04 120.40 116.64 1dbd s VAL 83 Ca -0.16 -1.87 -0.27 0.00 -2.93 0.00 0.00 61.98 56.76 1dbd s VAL 83 Cb 0.01 -1.46 -0.09 0.00 -1.53 0.00 0.00 36.38 33.31 1dbd s VAL 83 CO 0.79 -0.90 1.30 -2.16 -3.33 0.00 0.00 175.10 170.81 1dbd s PRO 84 N 0.99 4.06 0.16 1.54 0.04 -1.23 -4.27 135.00 136.30 1dbd s PRO 84 Ca 0.16 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 1dbd s PRO 84 Cb -0.22 -2.83 -0.08 0.00 0.04 0.00 0.00 34.50 31.41 1dbd s PRO 84 CO -0.06 -0.41 1.27 -1.17 0.04 0.00 0.00 177.00 176.67 1dbd s LEU 85 N -2.28 4.41 0.58 -3.56 2.96 -1.26 -5.03 118.68 114.50 1dbd s LEU 85 Ca 0.55 2.29 -0.17 0.00 -0.22 0.00 0.00 54.13 56.57 1dbd s LEU 85 Cb -0.38 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.67 1dbd s LEU 85 CO 0.50 -0.49 1.09 -2.84 -1.32 0.00 0.00 176.35 173.28 1dbd s PRO 86 N 0.19 3.26 0.88 0.98 0.02 -1.26 -5.06 135.00 134.01 1dbd s PRO 86 Ca 0.57 1.41 -0.11 0.00 0.02 0.00 0.00 61.00 62.89 1dbd s PRO 86 Cb -0.34 -2.01 0.12 0.00 0.02 0.00 0.00 34.50 32.28 1dbd s PRO 86 CO 0.35 -0.89 1.09 -1.25 -0.33 0.00 0.00 177.00 175.98 1dbd s PRO 87 N -3.69 1.42 0.00 5.54 0.04 -1.26 -4.19 135.00 132.87 1dbd s PRO 87 Ca 0.68 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1dbd s PRO 87 Cb -0.20 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1dbd s PRO 87 CO 0.32 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.65 1dbd n GLY 88 N -1.27 2.77 3.93 0.56 0.00 -1.26 -5.02 105.19 104.89 1dbd n GLY 88 Ca 0.07 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1dbd n GLY 88 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1dbd s MET 89 N 0.00 2.88 0.11 1.61 0.23 -1.26 -4.59 119.30 118.28 1dbd s MET 89 Ca 0.00 -1.20 0.04 0.00 -1.03 0.00 0.00 55.69 53.50 1dbd s MET 89 Cb 0.00 -2.64 -0.04 0.00 -1.53 0.00 0.00 34.83 30.62 1dbd s MET 89 CO 0.00 0.01 -0.11 -0.80 -2.03 0.00 0.00 175.02 172.08 1dbd s ASN 90 N -4.13 1.62 0.03 -1.18 0.01 -1.26 -5.01 114.94 105.02 1dbd s ASN 90 Ca 0.45 -0.81 0.09 0.00 -0.71 0.00 0.00 52.86 51.88 1dbd s ASN 90 Cb -0.08 -0.02 -0.03 0.00 0.41 0.00 0.00 41.25 41.54 1dbd s ASN 90 CO 0.29 -0.23 -0.26 0.27 -1.51 0.00 0.00 177.10 175.67 1dbd s ILE 91 N -2.35 2.11 -0.05 0.60 -4.36 -1.26 -3.22 121.20 112.66 1dbd s ILE 91 Ca 0.07 -1.31 -0.02 0.00 -0.26 0.00 0.00 60.65 59.12 1dbd s ILE 91 Cb -0.03 -1.79 0.03 0.00 1.25 0.00 0.00 42.46 41.92 1dbd s ILE 91 CO 0.01 0.42 0.08 -0.44 0.24 0.00 0.00 174.94 175.25 1dbd s SER 92 N -1.07 0.96 -0.40 4.36 0.01 -0.34 -4.95 113.70 112.27 1dbd s SER 92 Ca 0.11 0.14 -0.22 0.00 1.31 0.00 0.00 55.95 57.29 1dbd s SER 92 Cb -0.10 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.11 1dbd s SER 92 CO 0.01 -0.24 0.74 -0.83 0.41 0.00 0.00 173.24 173.33 1dbd s GLY 93 N 2.11 1.66 -0.09 3.44 0.00 -1.26 -0.26 107.32 112.92 1dbd s GLY 93 Ca 0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 1dbd s GLY 93 CO -0.04 1.69 -0.05 -1.36 0.00 0.00 0.00 173.10 173.35 1dbd s PHE 94 N 3.07 3.01 -0.22 1.90 0.40 0.98 -4.93 117.98 122.19 1dbd s PHE 94 Ca 0.29 -0.02 -0.11 0.00 -0.60 0.00 0.00 56.93 56.49 1dbd s PHE 94 Cb -0.13 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 1dbd s PHE 94 CO 0.19 0.27 0.17 0.99 0.70 0.00 0.00 175.22 177.54 1dbd s THR 95 N -0.54 5.37 -0.40 0.64 2.01 -1.26 0.09 115.64 121.55 1dbd s THR 95 Ca 0.08 0.23 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 1dbd s THR 95 Cb -0.12 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1dbd s THR 95 CO 0.02 0.38 0.29 0.00 -0.69 0.00 0.00 174.62 174.62 1dbd s ALA 96 N 0.77 3.47 -0.40 7.40 0.00 -1.25 -5.00 121.76 126.75 1dbd s ALA 96 Ca 0.09 -1.69 -0.15 0.00 0.00 0.00 0.00 51.96 50.21 1dbd s ALA 96 Cb -0.13 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.16 1dbd s ALA 96 CO 0.02 -1.41 0.30 -1.12 0.00 0.00 0.00 175.76 173.55 1dbd s SER 97 N 1.67 6.11 0.04 0.00 0.01 -1.26 -4.79 113.70 115.48 1dbd s SER 97 Ca 0.05 -0.81 -0.31 0.00 1.31 0.00 0.00 55.95 56.20 1dbd s SER 97 Cb -0.19 -2.16 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 1dbd s SER 97 CO 0.10 -0.43 1.44 -0.22 0.41 0.00 0.00 173.24 174.53 1dbd s LEU 98 N 1.73 4.34 -0.20 2.44 0.20 -1.26 -4.93 118.68 121.00 1dbd s LEU 98 Ca 0.06 2.22 0.12 0.00 0.69 0.00 0.00 54.13 57.22 1dbd s LEU 98 Cb -0.19 -3.57 -0.23 0.00 -0.43 0.00 0.00 46.19 41.78 1dbd s LEU 98 CO 0.10 -0.73 0.06 -0.67 -0.29 0.00 0.00 176.35 174.82 1dbd n ASP 99 N 5.03 0.76 0.00 3.68 2.03 -1.26 -5.20 116.55 121.59 1dbd n ASP 99 Ca 0.13 0.01 0.10 0.00 0.52 0.00 0.00 54.79 55.56 1dbd n ASP 99 Cb 0.43 0.40 0.62 0.00 -0.72 0.00 0.00 41.12 41.85 1dbd n ASP 99 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77