#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ced n ALA 2 N 0.00 -1.64 -1.70 0.62 0.00 -1.26 -4.93 120.51 111.60 1ced n ALA 2 Ca 0.00 0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 1ced n ALA 2 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.20 1ced n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ced s ASP 3 N -3.82 5.75 0.11 0.00 2.15 -1.26 -4.41 116.67 115.19 1ced s ASP 3 Ca 0.34 2.00 -0.08 0.00 0.43 0.00 0.00 52.55 55.25 1ced s ASP 3 Cb -0.17 -2.56 -0.14 0.00 -0.30 0.00 0.00 42.92 39.75 1ced s ASP 3 CO 0.82 -1.19 1.27 -0.07 -0.17 0.00 0.00 175.17 175.83 1ced h LEU 4 N 0.86 0.67 -0.16 -1.34 3.38 -1.92 0.49 115.31 117.31 1ced h LEU 4 Ca -0.48 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 56.87 1ced h LEU 4 Cb 1.24 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1ced h LEU 4 CO 0.57 1.33 -0.22 0.00 0.09 0.00 0.00 178.44 180.21 1ced h ALA 5 N 0.62 0.24 -0.08 1.53 0.00 -1.94 0.25 119.26 119.90 1ced h ALA 5 Ca -0.10 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.48 1ced h ALA 5 Cb 1.61 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 1ced h ALA 5 CO 0.18 0.19 -0.47 1.25 0.00 0.00 0.00 179.25 180.40 1ced h LEU 6 N 0.06 -1.45 -0.72 0.00 5.85 -1.95 0.11 115.31 117.20 1ced h LEU 6 Ca 0.02 0.18 0.15 0.00 0.84 0.00 0.00 57.88 59.07 1ced h LEU 6 Cb 0.79 0.57 -0.11 0.00 0.37 0.00 0.00 40.66 42.28 1ced h LEU 6 CO 0.05 -0.47 0.19 1.23 -0.34 0.00 0.00 178.44 179.10 1ced h GLY 7 N -0.56 1.01 0.98 3.75 0.00 -0.74 0.32 103.07 107.82 1ced h GLY 7 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1ced h GLY 7 CO -0.38 -0.18 -0.34 1.70 0.00 0.00 0.00 176.54 177.34 1ced h LYS 8 N 0.29 -0.88 -0.77 4.80 3.64 0.03 0.68 116.57 124.34 1ced h LYS 8 Ca 0.41 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 60.03 1ced h LYS 8 Cb 0.68 0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 32.57 1ced h LYS 8 CO -0.49 -0.59 0.11 0.00 -2.27 0.00 0.00 179.45 176.22 1ced h ALA 9 N -0.58 0.95 0.51 5.00 0.00 0.27 0.21 119.26 125.61 1ced h ALA 9 Ca -0.09 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ced h ALA 9 Cb 0.71 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ced h ALA 9 CO 0.14 -0.40 -0.32 0.28 0.00 0.00 0.00 179.25 178.94 1ced h VAL 10 N 0.18 0.34 -0.21 0.00 2.07 -0.83 -2.75 116.25 115.06 1ced h VAL 10 Ca 0.44 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.00 1ced h VAL 10 Cb 0.80 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1ced h VAL 10 CO -0.61 0.00 -0.55 0.15 0.02 0.00 0.00 177.57 176.59 1ced h PHE 11 N -0.79 -1.64 -1.05 1.57 3.57 0.14 0.17 116.94 118.91 1ced h PHE 11 Ca -0.06 0.07 0.28 0.00 3.53 0.00 0.00 57.97 61.78 1ced h PHE 11 Cb 0.65 0.74 -0.11 0.00 2.79 0.00 0.00 35.95 40.03 1ced h PHE 11 CO -0.10 -0.53 0.66 -0.44 -2.23 0.00 0.00 178.31 175.66 1ced h ASP 12 N -0.53 0.50 0.07 0.41 5.19 -0.75 0.16 116.42 121.47 1ced h ASP 12 Ca 0.04 0.11 -0.17 0.00 -0.62 0.00 0.00 57.03 56.39 1ced h ASP 12 Cb 0.66 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 1ced h ASP 12 CO -0.48 0.06 -0.85 1.23 -3.12 0.00 0.00 179.24 176.08 1ced h GLY 13 N 0.42 0.17 0.00 2.75 0.00 -0.91 -3.41 103.07 102.09 1ced h GLY 13 Ca 0.63 -0.43 -0.32 0.00 0.00 0.00 0.00 47.33 47.21 1ced h GLY 13 CO -0.37 0.38 -2.20 0.70 0.00 0.00 0.00 176.54 175.05 1ced n ASN 14 N -4.25 1.42 -0.06 0.19 3.02 0.47 -4.68 115.26 111.36 1ced n ASN 14 Ca -0.19 -0.05 -0.10 0.00 -0.03 0.00 0.00 54.58 54.21 1ced n ASN 14 Cb 0.73 0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 40.24 1ced n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ced h ALA 16 N -0.13 2.56 -0.98 0.00 0.00 -1.26 -0.33 119.26 119.12 1ced h ALA 16 Ca -0.29 0.08 0.26 0.00 0.00 0.00 0.00 54.91 54.96 1ced h ALA 16 Cb 1.38 0.12 -0.18 0.00 0.00 0.00 0.00 17.79 19.11 1ced h ALA 16 CO -0.09 -1.08 -0.03 0.00 0.00 0.00 0.00 179.25 178.06 1ced n ALA 17 N -2.52 0.45 -0.07 0.00 0.00 -1.26 -0.11 120.51 117.00 1ced n ALA 17 Ca 0.31 1.06 -0.08 0.00 0.00 0.00 0.00 53.44 54.73 1ced n ALA 17 Cb 1.19 -0.75 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 1ced n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ced n HIS 19 N -2.69 0.36 0.00 0.00 8.25 -0.60 -0.35 115.22 120.19 1ced n HIS 19 Ca -0.24 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1ced n HIS 19 Cb 0.87 -1.06 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1ced n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ced n ALA 20 N -2.73 0.00 -1.07 -1.41 0.00 0.85 0.18 120.51 116.34 1ced n ALA 20 Ca -0.29 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.85 1ced n ALA 20 Cb 1.11 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.52 1ced n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ced n GLY 21 N 0.00 3.70 2.42 0.00 0.00 -1.26 -4.52 105.19 105.53 1ced n GLY 21 Ca 0.00 -1.23 -0.19 0.00 0.00 0.00 0.00 46.02 44.60 1ced n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ced n GLY 22 N 3.53 0.21 0.00 -0.02 0.00 -1.08 -4.95 105.19 102.88 1ced n GLY 22 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1ced n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ced n GLY 23 N -0.78 0.52 3.24 -0.02 0.00 0.13 -0.67 105.19 107.62 1ced n GLY 23 Ca -0.21 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 1ced n GLY 23 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ced s ASN 24 N -1.00 -0.32 0.39 1.61 3.84 -1.26 -3.95 114.94 114.25 1ced s ASN 24 Ca 0.00 0.91 0.22 0.00 0.21 0.00 0.00 52.86 54.20 1ced s ASN 24 Cb 0.00 1.03 0.26 0.00 -0.55 0.00 0.00 41.25 41.99 1ced s ASN 24 CO 0.00 -0.21 1.51 -1.13 -2.79 0.00 0.00 177.10 174.48 1ced h ASN 25 N 7.71 0.00 0.00 -4.21 -0.73 -1.02 -3.37 115.58 113.96 1ced h ASN 25 Ca -0.25 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 57.81 1ced h ASN 25 Cb 1.14 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.72 1ced h ASN 25 CO 0.20 0.07 -1.22 0.52 -0.37 0.00 0.00 177.43 176.63 1ced n VAL 26 N -3.06 1.41 -3.62 2.57 0.31 -1.26 -4.75 118.33 109.92 1ced n VAL 26 Ca 0.03 0.05 -0.39 0.00 -0.01 0.00 0.00 64.34 64.02 1ced n VAL 26 Cb 0.56 -2.11 -0.08 0.00 -0.91 0.00 0.00 33.84 31.30 1ced n VAL 26 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ced s ILE 27 N -2.67 4.14 0.29 2.52 1.01 -1.26 -5.01 121.20 120.23 1ced s ILE 27 Ca -0.26 -2.70 0.04 0.00 0.00 0.00 0.00 60.65 57.73 1ced s ILE 27 Cb 0.06 -3.67 0.30 0.00 0.01 0.00 0.00 42.46 39.16 1ced s ILE 27 CO 0.37 -0.89 1.68 -0.65 0.00 0.00 0.00 174.94 175.44 1ced h PRO 28 N 7.37 0.32 0.00 2.79 0.11 -1.86 -1.02 132.00 139.71 1ced h PRO 28 Ca -0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1ced h PRO 28 Cb 0.99 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ced h PRO 28 CO 0.74 0.21 -0.45 0.38 -0.21 0.00 0.00 178.00 178.67 1ced h ASP 29 N 0.32 0.00 0.00 -2.05 2.03 -1.95 -3.37 116.42 111.40 1ced h ASP 29 Ca 0.57 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 56.36 1ced h ASP 29 Cb 1.14 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.65 1ced h ASP 29 CO -0.58 0.03 2.82 1.41 -1.03 0.00 0.00 179.24 181.90 1ced n HIS 30 N -2.93 1.74 -2.05 4.15 8.25 -0.39 -4.91 115.22 119.07 1ced n HIS 30 Ca 0.02 -2.52 -0.28 0.00 -0.26 0.00 0.00 57.72 54.67 1ced n HIS 30 Cb 0.55 -2.13 0.15 0.00 1.12 0.00 0.00 29.99 29.68 1ced n HIS 30 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ced s THR 31 N 2.26 2.05 -1.00 1.59 -4.23 -1.26 -4.61 115.64 110.44 1ced s THR 31 Ca 0.61 -0.12 0.15 0.00 -1.18 0.00 0.00 61.69 61.15 1ced s THR 31 Cb 0.18 -2.93 0.64 0.00 1.34 0.00 0.00 72.50 71.73 1ced s THR 31 CO -0.04 0.00 1.52 0.18 -0.54 0.00 0.00 174.62 175.73 1ced n LEU 32 N -3.48 4.36 -4.77 4.79 4.77 0.16 -4.17 117.00 118.66 1ced n LEU 32 Ca 0.13 -2.20 -0.37 0.00 -0.03 0.00 0.00 56.01 53.54 1ced n LEU 32 Cb 0.60 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1ced n LEU 32 CO 0.47 0.67 0.85 -1.10 -1.33 0.00 0.00 177.39 176.95 1ced s GLN 33 N -1.98 3.80 0.13 3.23 1.11 -1.26 -4.57 119.66 120.13 1ced s GLN 33 Ca 0.44 1.83 -0.26 0.00 0.01 0.00 0.00 55.36 57.39 1ced s GLN 33 Cb 0.30 -2.47 -0.06 0.00 -1.01 0.00 0.00 33.01 29.77 1ced s GLN 33 CO 0.19 -0.53 1.45 -0.22 0.01 0.00 0.00 175.29 176.19 1ced h LYS 34 N 2.17 -0.01 -1.00 2.91 3.64 -1.93 0.14 116.57 122.49 1ced h LYS 34 Ca -0.49 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.04 1ced h LYS 34 Cb 1.25 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 1ced h LYS 34 CO 0.61 -0.01 0.62 0.00 -2.27 0.00 0.00 179.45 178.40 1ced h ALA 35 N 0.23 1.61 -0.21 5.00 0.00 -1.92 0.16 119.26 124.12 1ced h ALA 35 Ca 0.13 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ced h ALA 35 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ced h ALA 35 CO -0.77 0.08 -0.11 0.00 0.00 0.00 0.00 179.25 178.45 1ced h ALA 36 N 1.59 0.30 0.26 0.00 0.00 -1.28 -2.73 119.26 117.41 1ced h ALA 36 Ca 0.54 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ced h ALA 36 Cb 0.70 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ced h ALA 36 CO -0.32 0.15 -0.23 0.82 0.00 0.00 0.00 179.25 179.67 1ced h ILE 37 N 0.15 0.52 0.00 0.00 2.04 0.14 0.10 117.51 120.47 1ced h ILE 37 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1ced h ILE 37 Cb 0.60 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1ced h ILE 37 CO 0.03 0.00 -0.05 -0.33 0.00 0.00 0.00 178.15 177.81 1ced h GLU 38 N -0.50 0.00 0.18 2.37 5.08 -0.68 0.29 114.58 121.32 1ced h GLU 38 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ced h GLU 38 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ced h GLU 38 CO -0.03 0.05 -0.09 1.96 -1.00 0.00 0.00 179.01 179.90 1ced h GLN 39 N 0.00 -0.23 0.03 2.33 4.20 -1.35 -3.43 115.11 116.65 1ced h GLN 39 Ca -0.00 0.02 -0.29 0.00 0.06 0.00 0.00 58.65 58.44 1ced h GLN 39 Cb 0.09 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1ced h GLN 39 CO 0.01 -0.16 -1.61 0.74 -0.67 0.00 0.00 178.83 177.14 1ced h PHE 40 N -0.61 0.10 -1.67 2.96 0.04 -0.18 -3.45 116.94 114.13 1ced h PHE 40 Ca -0.02 -0.07 -0.54 0.00 2.80 0.00 0.00 57.97 60.14 1ced h PHE 40 Cb 0.19 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 1ced h PHE 40 CO 0.03 1.12 1.56 -0.11 -0.60 0.00 0.00 178.31 180.32 1ced n LEU 41 N -3.18 2.64 0.00 1.54 -0.00 0.98 -4.89 117.00 114.09 1ced n LEU 41 Ca -0.16 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.75 1ced n LEU 41 Cb 1.03 -1.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 1ced n LEU 41 CO 0.46 -1.09 0.00 -0.67 -0.00 0.00 0.00 177.39 176.08 1ced n ASP 42 N 13.41 0.00 -1.54 1.96 -0.08 -1.26 -0.35 116.55 128.69 1ced n ASP 42 Ca 0.35 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.73 1ced n ASP 42 Cb 0.46 0.00 0.35 0.00 2.34 0.00 0.00 41.12 44.27 1ced n ASP 42 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ced n GLY 43 N -0.47 2.81 0.00 0.27 0.00 -1.26 -5.08 105.19 101.45 1ced n GLY 43 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1ced n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ced n GLY 44 N 1.06 -1.24 3.05 -0.02 0.00 0.53 -4.43 105.19 104.14 1ced n GLY 44 Ca 0.25 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1ced n GLY 44 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ced n PHE 45 N -1.09 2.60 -4.35 1.61 7.35 -1.26 -4.59 117.46 117.72 1ced n PHE 45 Ca 0.00 -2.20 -0.19 0.00 -0.76 0.00 0.00 57.45 54.30 1ced n PHE 45 Cb 0.00 -2.09 -0.14 0.00 0.35 0.00 0.00 39.48 37.60 1ced n PHE 45 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1ced s ASN 46 N 4.52 1.42 0.05 -2.13 0.01 -1.26 -5.06 114.94 112.50 1ced s ASN 46 Ca 0.55 -0.38 -0.24 0.00 -0.71 0.00 0.00 52.86 52.08 1ced s ASN 46 Cb 0.13 -0.10 -0.17 0.00 0.41 0.00 0.00 41.25 41.52 1ced s ASN 46 CO 0.05 0.04 1.59 0.40 -1.51 0.00 0.00 177.10 177.67 1ced h ILE 47 N 4.63 1.11 -0.94 0.60 1.08 -1.96 0.19 117.51 122.22 1ced h ILE 47 Ca -0.36 -0.36 0.09 0.00 -0.39 0.00 0.00 64.86 63.84 1ced h ILE 47 Cb 1.18 1.36 -0.12 0.00 -3.07 0.00 0.00 36.82 36.17 1ced h ILE 47 CO 0.45 0.09 -0.58 -0.33 -0.69 0.00 0.00 178.15 177.09 1ced h GLU 48 N -0.16 -0.04 -0.18 2.37 3.07 -1.97 0.15 114.58 117.82 1ced h GLU 48 Ca -0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1ced h GLU 48 Cb 0.16 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 1ced h GLU 48 CO 0.00 -0.03 -0.06 0.00 -1.40 0.00 0.00 179.01 177.53 1ced h ALA 49 N 0.46 0.11 0.20 3.43 0.00 -1.72 0.95 119.26 122.69 1ced h ALA 49 Ca 0.15 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ced h ALA 49 Cb 0.43 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ced h ALA 49 CO -0.90 -0.49 -0.31 0.82 0.00 0.00 0.00 179.25 178.37 1ced h ILE 50 N -0.02 0.35 -0.24 0.00 1.08 -0.19 0.70 117.51 119.20 1ced h ILE 50 Ca 0.09 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.62 1ced h ILE 50 Cb 0.16 0.35 -0.07 0.00 -3.07 0.00 0.00 36.82 34.19 1ced h ILE 50 CO -0.20 0.00 -0.21 0.58 -0.69 0.00 0.00 178.15 177.63 1ced h VAL 51 N -0.58 0.44 -0.61 1.67 2.07 -0.36 -0.32 116.25 118.56 1ced h VAL 51 Ca 0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.66 1ced h VAL 51 Cb 0.57 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 30.67 1ced h VAL 51 CO -0.13 0.00 -0.07 0.22 0.02 0.00 0.00 177.57 177.62 1ced h TYR 52 N -0.22 -0.17 0.11 1.57 3.20 -0.61 0.33 116.97 121.19 1ced h TYR 52 Ca 0.14 0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.08 1ced h TYR 52 Cb 0.42 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 1ced h TYR 52 CO -0.37 -0.21 -0.31 0.37 -1.64 0.00 0.00 178.16 176.00 1ced h GLN 53 N 0.06 -0.50 -0.64 1.82 5.75 0.78 -2.12 115.11 120.25 1ced h GLN 53 Ca 0.31 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.87 1ced h GLN 53 Cb 0.49 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.12 1ced h GLN 53 CO -0.57 -0.34 0.40 0.82 -2.65 0.00 0.00 178.83 176.49 1ced h ILE 54 N -0.52 1.09 0.00 2.39 5.03 -0.55 -0.54 117.51 124.41 1ced h ILE 54 Ca 0.03 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.50 1ced h ILE 54 Cb 0.56 0.23 0.00 0.00 -3.03 0.00 0.00 36.82 34.57 1ced h ILE 54 CO -0.18 0.14 0.00 1.21 -0.68 0.00 0.00 178.15 178.64 1ced n GLU 55 N -4.70 0.00 0.07 2.37 2.13 0.11 -1.18 120.64 119.43 1ced n GLU 55 Ca 0.06 0.52 0.12 0.00 0.66 0.00 0.00 57.16 58.52 1ced n GLU 55 Cb 0.08 -1.46 0.04 0.00 0.27 0.00 0.00 31.44 30.36 1ced n GLU 55 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ced n ASN 56 N -2.00 0.71 -0.48 4.31 0.23 -0.84 -0.69 115.26 116.49 1ced n ASN 56 Ca 0.00 0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.19 1ced n ASN 56 Cb 0.00 0.55 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 1ced n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ced n GLY 57 N 1.27 -3.39 0.00 4.83 0.00 -0.21 -4.39 105.19 103.29 1ced n GLY 57 Ca 0.01 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1ced n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ced n LYS 58 N -1.25 3.00 -1.66 1.61 4.76 -1.23 -4.87 118.16 118.51 1ced n LYS 58 Ca 0.00 0.00 -0.56 0.00 -2.87 0.00 0.00 58.31 54.88 1ced n LYS 58 Cb 0.05 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.17 1ced n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ced n GLY 59 N 3.75 0.86 4.15 0.72 0.00 -1.26 -1.43 105.19 111.98 1ced n GLY 59 Ca 0.00 0.93 -0.36 0.00 0.00 0.00 0.00 46.02 46.59 1ced n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ced n ALA 60 N 6.17 -1.12 -3.76 4.61 0.00 -1.26 -4.94 120.51 120.22 1ced n ALA 60 Ca 0.29 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 1ced n ALA 60 Cb 0.15 -2.16 -0.17 0.00 0.00 0.00 0.00 19.45 17.28 1ced n ALA 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ced s MET 61 N -6.64 2.31 0.32 0.00 0.00 -0.51 -4.99 119.30 109.79 1ced s MET 61 Ca 0.70 -0.58 -0.29 0.00 0.00 0.00 0.00 55.69 55.52 1ced s MET 61 Cb -0.41 -1.99 -0.10 0.00 0.00 0.00 0.00 34.83 32.32 1ced s MET 61 CO 0.86 -0.11 1.34 -1.25 0.00 0.00 0.00 175.02 175.86 1ced s PRO 62 N 1.11 4.32 0.36 4.11 0.04 -1.26 -3.57 135.00 140.10 1ced s PRO 62 Ca -0.03 2.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.99 1ced s PRO 62 Cb -0.14 -3.07 -0.09 0.00 0.04 0.00 0.00 34.50 31.23 1ced s PRO 62 CO -0.04 -0.25 1.14 0.00 0.04 0.00 0.00 177.00 177.89 1ced s ALA 63 N -0.92 3.26 -1.33 8.56 0.00 -1.26 -4.62 121.76 125.45 1ced s ALA 63 Ca 0.51 0.94 0.12 0.00 0.00 0.00 0.00 51.96 53.53 1ced s ALA 63 Cb -0.40 -3.36 0.21 0.00 0.00 0.00 0.00 23.12 19.56 1ced s ALA 63 CO 0.52 -0.38 1.07 0.91 0.00 0.00 0.00 175.76 177.87 1ced n TRP 64 N 0.47 0.23 -1.73 0.00 7.02 0.13 -4.92 117.44 118.64 1ced n TRP 64 Ca 0.02 -0.22 -0.63 0.00 -1.02 0.00 0.00 57.50 55.65 1ced n TRP 64 Cb 0.46 -0.01 -0.09 0.00 -2.42 0.00 0.00 31.31 29.25 1ced n TRP 64 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1ced n ASP 65 N 0.67 1.69 0.00 -0.99 5.75 -0.38 -0.83 116.55 122.46 1ced n ASP 65 Ca 0.10 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 56.02 1ced n ASP 65 Cb 0.37 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.47 1ced n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ced n GLY 66 N 4.02 0.88 0.14 6.12 0.00 -1.26 -4.71 105.19 110.38 1ced n GLY 66 Ca 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 1ced n GLY 66 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ced h ARG 67 N 0.96 0.35 -6.08 1.61 3.08 -1.34 -3.45 114.38 109.51 1ced h ARG 67 Ca 0.00 -0.60 -0.61 0.00 0.07 0.00 0.00 59.98 58.85 1ced h ARG 67 Cb 0.00 0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 1ced h ARG 67 CO 0.00 1.26 -0.54 -0.51 -1.07 0.00 0.00 179.97 179.10 1ced s LEU 68 N -7.19 4.06 1.01 3.04 1.43 -1.00 -5.13 118.68 114.91 1ced s LEU 68 Ca -0.15 0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 1ced s LEU 68 Cb 0.06 -2.69 0.20 0.00 0.03 0.00 0.00 46.19 43.79 1ced s LEU 68 CO 0.85 0.13 1.08 -0.62 0.23 0.00 0.00 176.35 178.02 1ced s ASP 69 N -2.68 2.44 0.12 2.29 -1.08 -1.26 -4.77 116.67 111.73 1ced s ASP 69 Ca 0.32 1.33 -0.17 0.00 -0.52 0.00 0.00 52.55 53.50 1ced s ASP 69 Cb -0.12 -2.01 -0.03 0.00 -1.46 0.00 0.00 42.92 39.30 1ced s ASP 69 CO 0.25 -3.27 1.71 -0.33 0.52 0.00 0.00 175.17 174.05 1ced h GLU 70 N -1.98 0.47 -0.31 4.34 5.08 -1.99 0.11 114.58 120.29 1ced h GLU 70 Ca -0.55 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 57.68 1ced h GLU 70 Cb 1.32 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1ced h GLU 70 CO 0.55 0.42 -0.06 0.22 -1.00 0.00 0.00 179.01 179.14 1ced h ASP 71 N 0.39 0.60 0.41 1.42 1.82 -1.98 0.13 116.42 119.21 1ced h ASP 71 Ca 0.11 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.39 1ced h ASP 71 Cb 0.11 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 39.92 1ced h ASP 71 CO -0.02 0.81 -0.52 -0.08 -1.61 0.00 0.00 179.24 177.83 1ced h GLU 72 N 0.37 -0.92 -0.68 0.28 4.81 -1.90 0.34 114.58 116.88 1ced h GLU 72 Ca 0.08 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1ced h GLU 72 Cb 0.54 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 30.02 1ced h GLU 72 CO 0.03 -0.61 -0.48 0.82 -0.73 0.00 0.00 179.01 178.04 1ced h ILE 73 N -0.95 0.05 -0.82 2.32 1.08 -0.74 0.12 117.51 118.56 1ced h ILE 73 Ca -0.05 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.51 1ced h ILE 73 Cb 0.85 0.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.59 1ced h ILE 73 CO -0.12 0.00 0.53 0.00 -0.69 0.00 0.00 178.15 177.87 1ced h ALA 74 N 0.59 1.71 -0.09 1.87 0.00 -0.45 -0.32 119.26 122.56 1ced h ALA 74 Ca 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1ced h ALA 74 Cb 0.55 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ced h ALA 74 CO -0.76 0.13 -0.09 0.78 0.00 0.00 0.00 179.25 179.31 1ced h GLY 75 N 0.79 0.24 0.99 0.00 0.00 0.15 0.12 103.07 105.37 1ced h GLY 75 Ca 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1ced h GLY 75 CO -0.15 0.23 0.34 -0.24 0.00 0.00 0.00 176.54 176.72 1ced h VAL 76 N -0.19 1.18 0.48 4.60 3.04 -0.40 0.17 116.25 125.12 1ced h VAL 76 Ca 0.01 -0.41 -0.02 0.00 -1.01 0.00 0.00 66.70 65.28 1ced h VAL 76 Cb 0.61 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 1ced h VAL 76 CO 0.02 0.18 -0.32 0.00 -1.01 0.00 0.00 177.57 176.45 1ced h ALA 77 N 1.17 -0.77 -0.55 3.17 0.00 -1.01 -0.24 119.26 121.03 1ced h ALA 77 Ca 0.21 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1ced h ALA 77 Cb -0.00 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1ced h ALA 77 CO -0.04 -0.95 0.08 0.00 0.00 0.00 0.00 179.25 178.34 1ced h ALA 78 N -0.32 0.60 0.48 0.00 0.00 -0.64 0.13 119.26 119.51 1ced h ALA 78 Ca -0.05 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ced h ALA 78 Cb 0.64 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ced h ALA 78 CO 0.04 -0.33 -0.35 -0.92 0.00 0.00 0.00 179.25 177.69 1ced h TYR 79 N 0.21 -0.92 -0.76 0.00 3.20 -0.56 0.10 116.97 118.25 1ced h TYR 79 Ca 0.28 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.30 1ced h TYR 79 Cb 0.41 0.34 -0.10 0.00 1.54 0.00 0.00 36.73 38.92 1ced h TYR 79 CO -0.27 -0.51 0.26 0.28 -1.64 0.00 0.00 178.16 176.28 1ced h VAL 80 N -0.81 0.59 0.15 1.81 2.07 -0.62 0.17 116.25 119.61 1ced h VAL 80 Ca -0.05 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1ced h VAL 80 Cb 0.68 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1ced h VAL 80 CO 0.02 0.07 -0.14 0.22 0.02 0.00 0.00 177.57 177.76 1ced h TYR 81 N 0.37 -0.35 0.39 1.57 5.03 -0.14 0.13 116.97 123.97 1ced h TYR 81 Ca 0.42 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.73 1ced h TYR 81 Cb 0.69 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 39.10 1ced h TYR 81 CO -0.20 -0.21 -0.28 0.22 -1.32 0.00 0.00 178.16 176.37 1ced h ASP 82 N -0.31 -0.72 -0.35 -2.11 3.58 0.02 0.21 116.42 116.74 1ced h ASP 82 Ca 0.00 0.05 0.07 0.00 0.42 0.00 0.00 57.03 57.58 1ced h ASP 82 Cb 0.29 0.23 -0.07 0.00 1.72 0.00 0.00 39.33 41.49 1ced h ASP 82 CO -0.03 -0.43 -0.13 -0.61 -2.88 0.00 0.00 179.24 175.16 1ced h GLN 83 N -0.66 -0.06 0.09 0.28 5.75 -0.65 -0.31 115.11 119.55 1ced h GLN 83 Ca -0.04 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1ced h GLN 83 Cb 0.56 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.13 1ced h GLN 83 CO 0.01 -0.04 -0.04 0.00 -2.65 0.00 0.00 178.83 176.11 1ced h ALA 84 N 1.24 -0.13 -0.46 3.38 0.00 -0.67 0.23 119.26 122.86 1ced h ALA 84 Ca 0.18 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1ced h ALA 84 Cb 0.33 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1ced h ALA 84 CO -0.40 -0.38 -0.03 0.00 0.00 0.00 0.00 179.25 178.44 1ced h ALA 85 N 0.36 0.40 0.00 0.00 0.00 -0.32 0.11 119.26 119.80 1ced h ALA 85 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ced h ALA 85 Cb 0.41 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ced h ALA 85 CO 0.02 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.28 1ced n GLY 86 N -1.31 -1.27 2.94 0.00 0.00 -0.15 -4.92 105.19 100.48 1ced n GLY 86 Ca 0.04 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1ced n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ced n ASN 87 N -2.07 -2.32 0.00 1.61 5.15 0.37 -4.88 115.26 113.12 1ced n ASN 87 Ca 0.03 -0.39 0.13 0.00 -0.60 0.00 0.00 54.58 53.75 1ced n ASN 87 Cb 0.24 -0.75 0.65 0.00 -0.53 0.00 0.00 39.78 39.39 1ced n ASN 87 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1ced n LYS 88 N -1.24 0.28 0.00 1.20 4.01 0.04 -5.03 118.16 117.42 1ced n LYS 88 Ca -0.13 0.03 0.02 0.00 -0.51 0.00 0.00 58.31 57.72 1ced n LYS 88 Cb 0.33 -1.50 0.11 0.00 -0.51 0.00 0.00 35.03 33.46 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20