#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 -3.30 2.89 0.00 -1.26 -4.92 116.66 110.08 1dbd n ARG 2 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 57.85 57.39 1dbd n ARG 2 Cb 0.00 -0.08 -0.02 0.00 -0.00 0.00 0.00 32.46 32.37 1dbd n ARG 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1dbd s THR 3 N 0.00 5.61 -1.05 8.89 -4.23 -1.26 -5.11 115.64 118.49 1dbd s THR 3 Ca 0.00 -2.58 -0.06 0.00 -1.18 0.00 0.00 61.69 57.87 1dbd s THR 3 Cb 0.00 -4.52 0.28 0.00 1.34 0.00 0.00 72.50 69.59 1dbd s THR 3 CO 0.00 -1.10 1.17 0.35 -0.54 0.00 0.00 174.62 174.49 1dbd n THR 4 N 3.86 4.48 0.00 3.99 -2.24 -1.26 -4.94 114.28 118.17 1dbd n THR 4 Ca 0.17 -5.51 0.00 0.00 -2.27 0.00 0.00 64.05 56.43 1dbd n THR 4 Cb 0.46 -2.37 0.00 0.00 -2.10 0.00 0.00 70.33 66.31 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 2.10 0.00 -4.73 3.42 2.04 -1.26 -5.04 115.26 111.79 1dbd n ASN 5 Ca 0.25 0.00 -0.36 0.00 -0.44 0.00 0.00 54.58 54.03 1dbd n ASN 5 Cb 0.37 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.54 1dbd n ASN 5 CO 0.00 0.00 0.00 -1.81 -0.44 0.00 0.00 177.26 175.01 1dbd s ASP 6 N -1.00 6.31 -0.44 0.53 1.11 -1.26 -5.01 116.67 116.92 1dbd s ASP 6 Ca 0.00 0.35 -0.45 0.00 0.18 0.00 0.00 52.55 52.64 1dbd s ASP 6 Cb 0.00 -2.13 -0.19 0.00 1.07 0.00 0.00 42.92 41.67 1dbd s ASP 6 CO 0.00 0.14 1.68 0.61 1.18 0.00 0.00 175.17 178.78 1dbd n GLY 7 N 3.47 0.37 2.76 0.21 0.00 -1.26 -5.03 105.19 105.71 1dbd n GLY 7 Ca -0.14 0.99 -0.42 0.00 0.00 0.00 0.00 46.02 46.45 1dbd n GLY 7 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dbd n PHE 8 N 4.64 3.39 -4.54 1.61 3.72 -1.26 -4.87 117.46 120.15 1dbd n PHE 8 Ca 0.31 -2.93 -0.32 0.00 -0.05 0.00 0.00 57.45 54.46 1dbd n PHE 8 Cb -0.00 -2.42 -0.16 0.00 -0.94 0.00 0.00 39.48 35.96 1dbd n PHE 8 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1dbd s HIS 9 N 2.53 2.56 -0.70 1.38 3.76 -1.26 -5.04 115.29 118.52 1dbd s HIS 9 Ca 0.45 -1.32 0.16 0.00 -0.15 0.00 0.00 55.06 54.20 1dbd s HIS 9 Cb 0.13 -1.76 0.76 0.00 1.11 0.00 0.00 32.58 32.82 1dbd s HIS 9 CO -0.07 -0.62 1.66 1.28 -0.85 0.00 0.00 174.74 176.14 1dbd n LEU 10 N 4.19 5.16 -1.08 0.89 4.77 -1.26 -4.28 117.00 125.39 1dbd n LEU 10 Ca -0.20 -2.61 0.09 0.00 -0.03 0.00 0.00 56.01 53.26 1dbd n LEU 10 Cb 0.51 -0.63 0.26 0.00 -2.33 0.00 0.00 43.42 41.23 1dbd n LEU 10 CO 0.26 0.70 0.72 0.18 -1.33 0.00 0.00 177.39 177.92 1dbd n LEU 11 N 0.85 3.59 0.12 2.23 4.77 -1.26 -4.77 117.00 122.54 1dbd n LEU 11 Ca 0.26 -2.02 -0.13 0.00 -0.03 0.00 0.00 56.01 54.08 1dbd n LEU 11 Cb 1.03 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1dbd n LEU 11 CO 0.28 0.88 0.78 0.50 -1.33 0.00 0.00 177.39 178.50 1dbd h LYS 12 N 3.40 -0.22 -6.92 3.23 3.64 -1.95 -3.44 116.57 114.31 1dbd h LYS 12 Ca 0.00 0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.89 1dbd h LYS 12 Cb 0.91 0.05 0.05 0.00 -0.41 0.00 0.00 32.23 32.83 1dbd h LYS 12 CO 0.01 -0.09 0.52 0.00 -2.27 0.00 0.00 179.45 177.62 1dbd s ALA 13 N -5.88 3.24 -0.82 5.00 0.00 -1.26 -4.86 121.76 117.18 1dbd s ALA 13 Ca -0.14 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 1dbd s ALA 13 Cb 0.05 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 1dbd s ALA 13 CO 0.64 -0.52 2.38 0.41 0.00 0.00 0.00 175.76 178.68 1dbd n GLY 14 N 0.72 3.12 0.00 0.00 0.00 -1.26 -2.77 105.19 105.00 1dbd n GLY 14 Ca 0.03 -0.95 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 3.46 0.00 3.08 -0.02 0.00 -1.26 -5.08 105.19 105.37 1dbd n GLY 15 Ca 0.47 0.00 -0.35 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 5.63 0.49 1.61 0.01 -1.12 -4.46 113.70 115.87 1dbd s SER 16 Ca 0.00 -3.47 -0.19 0.00 1.31 0.00 0.00 55.95 53.60 1dbd s SER 16 Cb 0.00 -1.86 -0.08 0.00 0.21 0.00 0.00 66.02 64.29 1dbd s SER 16 CO 0.00 -0.23 1.02 0.00 0.41 0.00 0.00 173.24 174.44 1dbd s PHE 18 N -2.14 2.94 -0.18 0.00 -0.71 0.83 -3.80 117.98 114.92 1dbd s PHE 18 Ca 0.65 -1.67 -0.29 0.00 -1.04 0.00 0.00 56.93 54.58 1dbd s PHE 18 Cb -0.14 -1.97 -0.01 0.00 -1.21 0.00 0.00 43.02 39.68 1dbd s PHE 18 CO 0.22 -0.78 1.28 0.00 -1.34 0.00 0.00 175.22 174.61 1dbd s ALA 19 N 1.28 3.62 -0.37 1.99 0.00 0.61 -0.05 121.76 128.84 1dbd s ALA 19 Ca 0.02 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 1dbd s ALA 19 Cb -0.15 -3.65 0.05 0.00 0.00 0.00 0.00 23.12 19.38 1dbd s ALA 19 CO -0.09 -1.26 0.17 -1.17 0.00 0.00 0.00 175.76 173.41 1dbd s LEU 20 N 3.65 4.68 -0.40 0.00 2.96 0.92 -0.06 118.68 130.43 1dbd s LEU 20 Ca 0.56 -1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.11 1dbd s LEU 20 Cb -0.21 -1.92 0.07 0.00 0.50 0.00 0.00 46.19 44.63 1dbd s LEU 20 CO 0.16 -0.41 0.22 -0.63 -1.32 0.00 0.00 176.35 174.37 1dbd s ILE 21 N 1.41 3.98 -1.05 6.68 1.09 0.65 -1.12 121.20 132.84 1dbd s ILE 21 Ca 0.01 -1.44 -0.01 0.00 -1.10 0.00 0.00 60.65 58.11 1dbd s ILE 21 Cb -0.21 -3.44 0.31 0.00 -1.06 0.00 0.00 42.46 38.06 1dbd s ILE 21 CO 0.03 -0.46 1.85 -1.20 -0.10 0.00 0.00 174.94 175.05 1dbd n SER 22 N 4.85 7.35 -4.81 3.58 7.64 -1.11 -1.62 113.62 129.49 1dbd n SER 22 Ca -0.10 -3.64 -0.32 0.00 1.01 0.00 0.00 58.87 55.83 1dbd n SER 22 Cb 0.43 -1.19 0.03 0.00 -1.01 0.00 0.00 64.21 62.47 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 -1.25 1.86 0.51 0.23 0.00 -1.12 -4.30 107.32 103.25 1dbd s GLY 23 Ca 0.39 0.21 -0.23 0.00 0.00 0.00 0.00 44.72 45.09 1dbd s GLY 23 CO -0.11 0.52 1.38 2.41 0.00 0.00 0.00 173.10 177.29 1dbd n THR 24 N -2.67 3.38 0.00 0.90 -1.04 -1.26 -0.43 114.28 113.16 1dbd n THR 24 Ca 0.08 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.49 1dbd n THR 24 Cb 0.53 -1.72 -0.05 0.00 -1.82 0.00 0.00 70.33 67.27 1dbd n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dbd h ALA 25 N 1.77 0.06 -0.97 2.41 0.00 -1.90 0.17 119.26 120.80 1dbd h ALA 25 Ca -0.51 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1dbd h ALA 25 Cb 1.29 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1dbd h ALA 25 CO 0.59 -0.49 0.63 -0.91 0.00 0.00 0.00 179.25 179.06 1dbd h ASN 26 N -0.00 1.03 -0.14 0.00 2.35 -1.95 0.61 115.58 117.48 1dbd h ASN 26 Ca 0.05 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1dbd h ASN 26 Cb 0.07 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1dbd h ASN 26 CO -0.10 0.70 -0.02 -0.61 -1.65 0.00 0.00 177.43 175.75 1dbd h GLN 27 N 1.19 0.27 -0.79 0.81 4.15 -1.59 -0.37 115.11 118.78 1dbd h GLN 27 Ca 0.39 -0.09 0.07 0.00 0.77 0.00 0.00 58.65 59.79 1dbd h GLN 27 Cb 0.05 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.65 1dbd h GLN 27 CO -0.14 0.53 0.47 0.28 -1.93 0.00 0.00 178.83 178.04 1dbd h VAL 28 N -0.02 0.99 -0.08 2.39 2.07 -0.36 0.36 116.25 121.59 1dbd h VAL 28 Ca 0.04 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1dbd h VAL 28 Cb 0.42 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1dbd h VAL 28 CO 0.01 0.15 0.05 0.50 0.02 0.00 0.00 177.57 178.30 1dbd h LYS 29 N 0.84 0.11 -0.16 1.57 3.64 -0.75 -2.11 116.57 119.72 1dbd h LYS 29 Ca 0.36 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1dbd h LYS 29 Cb 0.22 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1dbd h LYS 29 CO -0.19 0.13 0.05 0.00 -2.27 0.00 0.00 179.45 177.17 1dbd h TYR 31 N 0.08 -1.71 -0.39 0.00 3.20 -0.19 -0.96 116.97 116.99 1dbd h TYR 31 Ca 0.05 0.10 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1dbd h TYR 31 Cb 0.22 0.84 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1dbd h TYR 31 CO -0.00 -0.43 -0.02 -0.09 -1.64 0.00 0.00 178.16 175.98 1dbd h ARG 32 N -0.19 0.71 -0.89 1.82 2.43 -1.43 0.20 114.38 117.04 1dbd h ARG 32 Ca 0.14 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1dbd h ARG 32 Cb 0.51 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 1dbd h ARG 32 CO -0.77 0.81 0.58 0.35 -1.51 0.00 0.00 179.97 179.42 1dbd h PHE 33 N 0.53 1.09 -0.04 2.20 3.57 -1.30 0.66 116.94 123.65 1dbd h PHE 33 Ca 0.11 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1dbd h PHE 33 Cb 0.50 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1dbd h PHE 33 CO 0.04 0.65 -0.17 -0.09 -2.23 0.00 0.00 178.31 176.51 1dbd h ARG 34 N 1.14 0.19 -0.40 1.11 2.43 -1.00 -3.37 114.38 114.48 1dbd h ARG 34 Ca 0.34 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1dbd h ARG 34 Cb -0.05 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1dbd h ARG 34 CO -0.10 0.79 0.19 0.28 -1.51 0.00 0.00 179.97 179.62 1dbd h VAL 35 N -0.38 1.18 -0.65 0.20 2.07 -0.31 -3.36 116.25 115.00 1dbd h VAL 35 Ca -0.01 -0.50 0.17 0.00 0.82 0.00 0.00 66.70 67.17 1dbd h VAL 35 Cb 0.82 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1dbd h VAL 35 CO 0.04 0.19 0.46 0.50 0.02 0.00 0.00 177.57 178.77 1dbd h LYS 36 N 0.50 0.14 0.76 1.57 3.64 -1.03 0.07 116.57 122.23 1dbd h LYS 36 Ca 0.14 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1dbd h LYS 36 Cb 0.13 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1dbd h LYS 36 CO -0.02 0.09 -0.37 0.87 -2.27 0.00 0.00 179.45 177.76 1dbd h LYS 37 N 0.14 -0.99 0.00 1.90 1.57 -1.82 -3.30 116.57 114.08 1dbd h LYS 37 Ca 0.32 0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.93 1dbd h LYS 37 Cb 1.04 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.53 1dbd h LYS 37 CO -0.04 -0.66 -1.92 0.09 -0.57 0.00 0.00 179.45 176.35 1dbd n ASN 38 N -4.77 1.63 -2.29 0.86 4.13 -1.12 -4.44 115.26 109.26 1dbd n ASN 38 Ca -0.13 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.82 1dbd n ASN 38 Cb 0.41 0.89 0.11 0.00 -1.54 0.00 0.00 39.78 39.65 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 -2.47 3.17 -0.22 3.10 8.25 -0.00 -4.25 115.22 122.80 1dbd n HIS 39 Ca -0.21 -2.63 -0.08 0.00 -0.26 0.00 0.00 57.72 54.53 1dbd n HIS 39 Cb 0.91 -1.28 0.03 0.00 1.12 0.00 0.00 29.99 30.77 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 1.67 1.03 -0.49 -0.41 1.12 -1.65 -2.57 114.38 113.08 1dbd h ARG 40 Ca 0.62 -0.28 0.00 0.00 -1.11 0.00 0.00 59.98 59.20 1dbd h ARG 40 Cb 1.50 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 31.34 1dbd h ARG 40 CO 1.43 0.97 0.00 -2.39 -3.11 0.00 0.00 179.97 176.86 1dbd n HIS 41 N -4.27 0.00 1.10 2.20 1.44 -1.26 -1.48 115.22 112.95 1dbd n HIS 41 Ca 0.03 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.87 1dbd n HIS 41 Cb 0.29 -0.05 0.33 0.00 0.12 0.00 0.00 29.99 30.67 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 0.03 0.32 -3.95 -1.40 5.12 -0.97 -4.91 116.66 110.89 1dbd n ARG 42 Ca 0.00 -0.18 -0.09 0.00 -1.93 0.00 0.00 57.85 55.65 1dbd n ARG 42 Cb 0.12 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.87 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 -2.81 0.33 0.00 -1.55 -0.85 -0.55 -4.81 117.35 107.12 1dbd s TYR 43 Ca 0.17 -0.68 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 1dbd s TYR 43 Cb 0.18 0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.63 1dbd s TYR 43 CO 0.62 -0.87 0.00 0.39 -1.52 0.00 0.00 175.55 174.17 1dbd n GLU 44 N -0.31 0.00 -4.21 -3.49 1.02 -1.22 -4.97 120.64 107.46 1dbd n GLU 44 Ca -0.05 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.80 1dbd n GLU 44 Cb 0.63 -0.23 -0.09 0.00 -0.02 0.00 0.00 31.44 31.72 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 -3.44 4.51 0.24 1.62 0.01 -1.11 -5.05 114.94 111.73 1dbd s ASN 45 Ca 0.00 -0.36 -0.11 0.00 -0.71 0.00 0.00 52.86 51.68 1dbd s ASN 45 Cb 0.00 -0.90 -0.01 0.00 0.41 0.00 0.00 41.25 40.75 1dbd s ASN 45 CO 0.00 0.17 0.43 0.00 -1.51 0.00 0.00 177.10 176.19 1dbd n THR 47 N -0.37 0.00 -1.42 0.00 -2.24 -0.10 -4.99 114.28 105.17 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 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.65 0.00 -3.40 4.28 -2.24 -1.26 -4.89 114.28 106.12 1dbd n THR 48 Ca 0.00 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 1dbd n THR 48 Cb 0.00 -1.54 -0.08 0.00 -2.10 0.00 0.00 70.33 66.61 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 0.42 5.22 0.49 4.28 -4.23 -1.26 -4.47 115.64 116.09 1dbd s THR 49 Ca 0.00 -0.86 0.08 0.00 -1.18 0.00 0.00 61.69 59.72 1dbd s THR 49 Cb 0.00 -4.07 0.03 0.00 1.34 0.00 0.00 72.50 69.80 1dbd s THR 49 CO 0.00 -0.49 0.51 -1.66 -0.54 0.00 0.00 174.62 172.44 1dbd s TRP 50 N 1.73 2.10 0.04 3.99 1.48 -0.55 -4.82 118.94 122.91 1dbd s TRP 50 Ca 0.05 -0.63 -0.01 0.00 -1.06 0.00 0.00 56.10 54.45 1dbd s TRP 50 Cb -0.22 -2.14 -0.03 0.00 -1.16 0.00 0.00 33.47 29.92 1dbd s TRP 50 CO 0.08 -0.52 -0.01 -0.06 -4.06 0.00 0.00 176.95 172.38 1dbd s PHE 51 N -2.59 0.39 0.17 1.66 0.08 -1.26 -0.28 117.98 116.15 1dbd s PHE 51 Ca 0.49 -0.81 0.09 0.00 0.12 0.00 0.00 56.93 56.81 1dbd s PHE 51 Cb -0.04 -0.29 -0.04 0.00 -0.57 0.00 0.00 43.02 42.08 1dbd s PHE 51 CO 0.30 -0.32 -0.09 0.99 -0.10 0.00 0.00 175.22 175.99 1dbd s THR 52 N -2.95 3.23 0.35 0.64 2.01 -1.26 -4.95 115.64 112.71 1dbd s THR 52 Ca -0.02 -1.60 -0.09 0.00 0.31 0.00 0.00 61.69 60.29 1dbd s THR 52 Cb 0.01 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 1dbd s THR 52 CO -0.06 -0.08 0.69 0.68 -0.69 0.00 0.00 174.62 175.16 1dbd s VAL 53 N -1.63 4.85 0.60 3.82 -7.23 -1.26 -0.79 120.40 118.76 1dbd s VAL 53 Ca 0.24 0.48 -0.03 0.00 -1.81 0.00 0.00 61.98 60.86 1dbd s VAL 53 Cb -0.09 -3.71 0.03 0.00 0.56 0.00 0.00 36.38 33.17 1dbd s VAL 53 CO 0.15 -0.40 0.87 0.00 -0.31 0.00 0.00 175.10 175.41 1dbd s ALA 54 N -2.22 3.48 0.00 1.32 0.00 0.33 -4.84 121.76 119.84 1dbd s ALA 54 Ca 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1dbd s ALA 54 Cb -0.10 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1dbd s ALA 54 CO 0.29 -0.90 0.00 -3.47 0.00 0.00 0.00 175.76 171.68 1dbd n ASP 55 N -2.56 0.00 0.00 0.00 -0.08 -1.26 -4.81 116.55 107.83 1dbd n ASP 55 Ca 0.06 0.07 -0.13 0.00 -1.51 0.00 0.00 54.79 53.28 1dbd n ASP 55 Cb 0.59 -0.16 -0.14 0.00 2.34 0.00 0.00 41.12 43.75 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 0.16 -3.87 1.67 -0.26 -1.98 -3.45 115.58 107.85 1dbd h ASN 56 Ca 0.00 -0.32 -0.50 0.00 -0.56 0.00 0.00 56.30 54.92 1dbd h ASN 56 Cb 0.00 -0.05 0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1dbd h ASN 56 CO 0.00 1.28 0.46 -0.83 -1.06 0.00 0.00 177.43 177.28 1dbd s GLY 57 N -5.19 2.94 0.00 2.83 0.00 -1.26 -4.93 107.32 101.71 1dbd s GLY 57 Ca -0.09 0.85 0.00 0.00 0.00 0.00 0.00 44.72 45.47 1dbd s GLY 57 CO 0.81 1.39 0.54 0.00 0.00 0.00 0.00 173.10 175.84 1dbd n ALA 58 N 0.66 2.10 -2.27 3.20 0.00 -1.26 -4.61 120.51 118.33 1dbd n ALA 58 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1dbd n ALA 58 Cb 0.46 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.16 2.45 0.00 0.00 0.41 -1.26 -5.01 118.70 115.13 1dbd s GLU 59 Ca 0.00 -1.64 0.00 0.00 -0.41 0.00 0.00 54.97 52.92 1dbd s GLU 59 Cb 0.00 -2.29 0.00 0.00 -1.78 0.00 0.00 34.13 30.06 1dbd s GLU 59 CO 0.00 -0.24 0.00 0.54 -0.49 0.00 0.00 175.26 175.07 1dbd n ARG 60 N -1.53 3.25 -3.56 1.61 3.00 -1.26 -0.51 116.66 117.65 1dbd n ARG 60 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.49 1dbd n ARG 60 Cb 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.99 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 0.64 4.07 0.30 5.56 1.11 0.03 -4.62 119.66 126.75 1dbd s GLN 61 Ca 0.00 -0.14 0.14 0.00 0.01 0.00 0.00 55.36 55.36 1dbd s GLN 61 Cb 0.00 -3.57 0.39 0.00 -1.01 0.00 0.00 33.01 28.81 1dbd s GLN 61 CO 0.00 -0.04 1.60 0.78 0.01 0.00 0.00 175.29 177.64 1dbd h GLY 62 N 7.81 0.00 -2.22 3.09 0.00 -1.99 -3.40 103.07 106.36 1dbd h GLY 62 Ca -0.36 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.44 1dbd h GLY 62 CO 0.65 0.00 0.48 1.20 0.00 0.00 0.00 176.54 178.87 1dbd s GLN 63 N -3.44 3.16 -0.21 4.80 1.11 -1.26 -4.40 119.66 119.42 1dbd s GLN 63 Ca 0.00 1.81 -0.13 0.00 0.01 0.00 0.00 55.36 57.05 1dbd s GLN 63 Cb 0.11 -2.03 -0.05 0.00 -1.01 0.00 0.00 33.01 30.04 1dbd s GLN 63 CO 0.74 -1.05 0.25 0.00 0.01 0.00 0.00 175.29 175.23 1dbd s ALA 64 N -1.60 3.60 -0.61 6.09 0.00 0.43 -4.78 121.76 124.90 1dbd s ALA 64 Ca 0.74 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 1dbd s ALA 64 Cb -0.30 -2.39 0.16 0.00 0.00 0.00 0.00 23.12 20.59 1dbd s ALA 64 CO 0.33 -0.10 0.51 -1.14 0.00 0.00 0.00 175.76 175.36 1dbd s GLN 65 N 0.88 2.89 0.29 0.00 0.74 0.61 -2.79 119.66 122.28 1dbd s GLN 65 Ca 0.13 -2.09 -0.10 0.00 0.05 0.00 0.00 55.36 53.35 1dbd s GLN 65 Cb -0.13 -4.10 -0.07 0.00 1.10 0.00 0.00 33.01 29.81 1dbd s GLN 65 CO 0.04 -1.24 0.62 0.96 -0.55 0.00 0.00 175.29 175.12 1dbd s ILE 66 N 0.82 4.88 -0.07 -2.34 -4.36 -0.64 -1.48 121.20 118.01 1dbd s ILE 66 Ca 0.11 0.51 0.03 0.00 -0.26 0.00 0.00 60.65 61.04 1dbd s ILE 66 Cb -0.21 -3.65 0.00 0.00 1.25 0.00 0.00 42.46 39.85 1dbd s ILE 66 CO -0.03 -0.21 -0.18 -0.22 0.24 0.00 0.00 174.94 174.54 1dbd s LEU 67 N -3.15 1.87 -0.17 0.37 0.20 -1.26 -0.26 118.68 116.28 1dbd s LEU 67 Ca 0.49 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 54.91 1dbd s LEU 67 Cb -0.11 -1.07 0.04 0.00 -0.43 0.00 0.00 46.19 44.62 1dbd s LEU 67 CO 0.24 0.11 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.68 1dbd s ILE 68 N 0.38 1.45 -0.42 6.68 1.01 0.91 -0.93 121.20 130.29 1dbd s ILE 68 Ca -0.13 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 1dbd s ILE 68 Cb -0.15 -1.50 0.10 0.00 0.01 0.00 0.00 42.46 40.91 1dbd s ILE 68 CO 0.05 0.25 0.24 0.42 0.00 0.00 0.00 174.94 175.91 1dbd s THR 69 N 1.50 3.84 0.09 2.92 -4.23 -0.30 -0.29 115.64 119.17 1dbd s THR 69 Ca 0.01 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 58.86 1dbd s THR 69 Cb -0.15 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 1dbd s THR 69 CO -0.09 -0.59 0.10 0.72 -0.54 0.00 0.00 174.62 174.21 1dbd s PHE 70 N 1.31 3.22 -0.01 3.99 -0.12 -1.25 -2.74 117.98 122.38 1dbd s PHE 70 Ca 0.05 0.08 -0.23 0.00 -0.05 0.00 0.00 56.93 56.78 1dbd s PHE 70 Cb -0.23 -1.62 -0.20 0.00 -0.63 0.00 0.00 43.02 40.33 1dbd s PHE 70 CO -0.01 0.53 1.16 0.78 -0.05 0.00 0.00 175.22 177.63 1dbd h GLY 71 N 3.20 0.27 -4.06 1.99 0.00 -1.91 -3.28 103.07 99.28 1dbd h GLY 71 Ca -0.47 -0.37 -0.52 0.00 0.00 0.00 0.00 47.33 45.98 1dbd h GLY 71 CO 0.67 0.33 0.51 -0.56 0.00 0.00 0.00 176.54 177.49 1dbd s SER 72 N -6.24 7.19 0.45 0.19 0.01 -1.26 -4.85 113.70 109.19 1dbd s SER 72 Ca -0.15 2.18 0.25 0.00 1.31 0.00 0.00 55.95 59.54 1dbd s SER 72 Cb 0.03 -2.61 0.89 0.00 0.21 0.00 0.00 66.02 64.54 1dbd s SER 72 CO 0.75 -0.27 1.81 1.55 0.41 0.00 0.00 173.24 177.49 1dbd h PRO 73 N 4.91 0.00 -0.03 12.44 0.13 -1.98 -2.49 132.00 144.98 1dbd h PRO 73 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1dbd h PRO 73 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1dbd h PRO 73 CO 0.72 0.19 0.03 0.77 -0.23 0.00 0.00 178.00 179.48 1dbd h SER 74 N 0.00 0.00 -0.32 1.44 0.02 -1.98 -2.06 113.55 110.65 1dbd h SER 74 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1dbd h SER 74 Cb 0.77 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1dbd h SER 74 CO 0.02 0.00 0.12 -0.61 -1.14 0.00 0.00 176.83 175.22 1dbd h GLN 75 N 0.00 0.48 0.00 3.45 5.75 -1.80 0.94 115.11 123.94 1dbd h GLN 75 Ca 0.01 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.37 1dbd h GLN 75 Cb 0.08 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1dbd h GLN 75 CO -0.00 0.50 -0.24 -0.09 -2.65 0.00 0.00 178.83 176.35 1dbd h ARG 76 N 0.37 0.00 0.00 1.69 2.43 -1.50 -2.79 114.38 114.58 1dbd h ARG 76 Ca 0.11 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.84 1dbd h ARG 76 Cb 0.20 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 1dbd h ARG 76 CO -0.01 0.24 -2.47 0.94 -1.51 0.00 0.00 179.97 177.15 1dbd n GLN 77 N -3.33 0.61 0.00 0.20 7.27 -0.94 -4.13 117.38 117.06 1dbd n GLN 77 Ca 0.01 0.24 0.10 0.00 0.07 0.00 0.00 57.00 57.42 1dbd n GLN 77 Cb 0.47 -1.51 0.55 0.00 2.41 0.00 0.00 30.24 32.17 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 -3.99 0.00 -0.05 1.69 8.00 0.32 -2.78 116.55 119.74 1dbd n ASP 78 Ca -0.51 -0.22 -0.02 0.00 0.71 0.00 0.00 54.79 54.75 1dbd n ASP 78 Cb 0.91 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.80 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 -0.32 0.00 1.24 3.04 -1.65 -1.95 116.94 117.30 1dbd h PHE 79 Ca 0.00 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 1dbd h PHE 79 Cb 0.13 0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1dbd h PHE 79 CO 0.00 -0.08 -0.17 1.25 -2.02 0.00 0.00 178.31 177.30 1dbd h LEU 80 N -0.03 0.00 0.30 0.59 5.85 -1.69 0.35 115.31 120.67 1dbd h LEU 80 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1dbd h LEU 80 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1dbd h LEU 80 CO -0.14 0.17 -0.14 0.11 -0.34 0.00 0.00 178.44 178.10 1dbd h LYS 81 N 0.00 -0.38 0.16 1.25 1.57 -1.73 -3.18 116.57 114.25 1dbd h LYS 81 Ca -0.00 0.03 -0.35 0.00 -1.87 0.00 0.00 60.65 58.45 1dbd h LYS 81 Cb 0.48 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1dbd h LYS 81 CO 0.02 -0.05 -1.81 0.45 -0.57 0.00 0.00 179.45 177.49 1dbd h HIS 82 N -0.92 0.60 -2.97 -1.35 3.86 -0.92 -3.41 115.15 110.03 1dbd h HIS 82 Ca -0.04 -0.44 -0.60 0.00 -1.16 0.00 0.00 60.37 58.13 1dbd h HIS 82 Cb 0.51 -0.02 -0.40 0.00 1.06 0.00 0.00 27.41 28.56 1dbd h HIS 82 CO 0.04 1.71 -0.76 0.54 0.86 0.00 0.00 177.93 180.33 1dbd s VAL 83 N -2.56 1.12 0.28 2.45 0.11 0.12 -5.05 120.40 116.87 1dbd s VAL 83 Ca -0.19 -2.19 -0.30 0.00 -2.93 0.00 0.00 61.98 56.37 1dbd s VAL 83 Cb 0.06 -1.80 -0.10 0.00 -1.53 0.00 0.00 36.38 33.01 1dbd s VAL 83 CO 0.81 -0.86 1.43 -2.16 -3.33 0.00 0.00 175.10 170.98 1dbd s PRO 84 N 0.72 4.26 0.27 1.54 0.04 -1.20 -4.23 135.00 136.40 1dbd s PRO 84 Ca 0.16 2.33 -0.29 0.00 0.04 0.00 0.00 61.00 63.23 1dbd s PRO 84 Cb -0.23 -3.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 1dbd s PRO 84 CO -0.05 -0.40 1.24 -1.17 0.04 0.00 0.00 177.00 176.67 1dbd s LEU 85 N -0.86 4.46 0.72 -3.56 2.96 -1.26 -5.04 118.68 116.10 1dbd s LEU 85 Ca 0.57 2.45 -0.12 0.00 -0.22 0.00 0.00 54.13 56.81 1dbd s LEU 85 Cb -0.42 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 42.67 1dbd s LEU 85 CO 0.48 -0.41 1.08 -2.84 -1.32 0.00 0.00 176.35 173.34 1dbd s PRO 86 N -1.07 2.61 0.99 0.98 0.02 -1.26 -5.08 135.00 132.19 1dbd s PRO 86 Ca 0.50 1.15 -0.14 0.00 0.02 0.00 0.00 61.00 62.54 1dbd s PRO 86 Cb -0.36 -1.94 0.19 0.00 0.02 0.00 0.00 34.50 32.40 1dbd s PRO 86 CO 0.44 -1.37 1.13 -1.25 -0.33 0.00 0.00 177.00 175.62 1dbd s PRO 87 N -4.74 0.45 0.00 5.54 0.04 -1.26 -4.30 135.00 130.73 1dbd s PRO 87 Ca 0.61 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1dbd s PRO 87 Cb -0.17 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1dbd s PRO 87 CO 0.52 -2.65 0.00 0.41 0.04 0.00 0.00 177.00 175.31 1dbd n GLY 88 N -1.76 2.63 4.01 0.56 0.00 -1.26 -4.98 105.19 104.38 1dbd n GLY 88 Ca 0.08 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 2.78 0.06 1.61 0.23 -1.26 -4.63 119.30 118.10 1dbd s MET 89 Ca 0.00 -1.26 -0.01 0.00 -1.03 0.00 0.00 55.69 53.39 1dbd s MET 89 Cb 0.00 -2.75 -0.04 0.00 -1.53 0.00 0.00 34.83 30.51 1dbd s MET 89 CO 0.00 -0.33 -0.03 -0.80 -2.03 0.00 0.00 175.02 171.83 1dbd s ASN 90 N -4.38 0.56 0.08 -1.18 0.01 -1.26 -5.01 114.94 103.77 1dbd s ASN 90 Ca 0.56 -1.01 0.07 0.00 -0.71 0.00 0.00 52.86 51.76 1dbd s ASN 90 Cb -0.10 0.19 -0.03 0.00 0.41 0.00 0.00 41.25 41.72 1dbd s ASN 90 CO 0.34 -0.59 -0.18 0.27 -1.51 0.00 0.00 177.10 175.43 1dbd s ILE 91 N -3.89 1.44 -0.04 0.60 -4.36 -1.26 -2.77 121.20 110.93 1dbd s ILE 91 Ca 0.08 -1.38 -0.01 0.00 -0.26 0.00 0.00 60.65 59.08 1dbd s ILE 91 Cb 0.08 -1.33 0.03 0.00 1.25 0.00 0.00 42.46 42.49 1dbd s ILE 91 CO -0.09 -0.09 0.08 -0.44 0.24 0.00 0.00 174.94 174.65 1dbd s SER 92 N -1.71 -0.02 -0.50 4.36 0.01 -0.28 -4.92 113.70 110.65 1dbd s SER 92 Ca 0.03 0.16 -0.23 0.00 1.31 0.00 0.00 55.95 57.22 1dbd s SER 92 Cb -0.10 0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.22 1dbd s SER 92 CO 0.03 -0.14 0.83 -0.83 0.41 0.00 0.00 173.24 173.54 1dbd s GLY 93 N 1.11 1.54 -0.23 3.44 0.00 -1.26 -0.06 107.32 111.86 1dbd s GLY 93 Ca -0.09 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 43.38 1dbd s GLY 93 CO -0.04 1.86 0.06 -1.36 0.00 0.00 0.00 173.10 173.62 1dbd s PHE 94 N 3.48 3.11 -0.25 1.90 0.08 0.92 -4.95 117.98 122.28 1dbd s PHE 94 Ca 0.28 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.91 1dbd s PHE 94 Cb -0.13 -2.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.09 1dbd s PHE 94 CO 0.20 -0.23 0.23 0.99 -0.10 0.00 0.00 175.22 176.31 1dbd s THR 95 N 1.26 5.30 -0.26 0.64 2.01 -1.26 -0.12 115.64 123.21 1dbd s THR 95 Ca 0.05 0.29 -0.11 0.00 0.31 0.00 0.00 61.69 62.23 1dbd s THR 95 Cb -0.15 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1dbd s THR 95 CO 0.03 0.28 0.19 0.00 -0.69 0.00 0.00 174.62 174.44 1dbd s ALA 96 N 1.42 3.57 -0.21 7.40 0.00 -1.26 -4.98 121.76 127.70 1dbd s ALA 96 Ca 0.10 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 1dbd s ALA 96 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1dbd s ALA 96 CO 0.08 -0.40 -0.00 -1.12 0.00 0.00 0.00 175.76 174.32 1dbd s SER 97 N 1.43 4.70 0.10 0.00 0.01 -1.26 -4.76 113.70 113.93 1dbd s SER 97 Ca 0.08 -0.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.77 1dbd s SER 97 Cb -0.15 -1.81 -0.06 0.00 0.21 0.00 0.00 66.02 64.21 1dbd s SER 97 CO 0.08 0.02 1.19 -0.22 0.41 0.00 0.00 173.24 174.72 1dbd s LEU 98 N 1.24 4.40 -0.23 2.44 0.20 -1.26 -4.98 118.68 120.50 1dbd s LEU 98 Ca 0.03 2.07 0.07 0.00 0.69 0.00 0.00 54.13 57.00 1dbd s LEU 98 Cb -0.15 -3.59 -0.20 0.00 -0.43 0.00 0.00 46.19 41.82 1dbd s LEU 98 CO 0.01 -0.42 -0.08 -0.67 -0.29 0.00 0.00 176.35 174.90 1dbd n ASP 99 N 3.44 1.31 0.00 3.68 2.03 -1.26 -5.18 116.55 120.56 1dbd n ASP 99 Ca 0.07 -0.06 0.11 0.00 0.52 0.00 0.00 54.79 55.42 1dbd n ASP 99 Cb 0.46 0.04 0.62 0.00 -0.72 0.00 0.00 41.12 41.53 1dbd n ASP 99 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77