#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 0.00 -2.32 0.62 0.00 -1.26 -5.01 120.51 112.54 1ced n ALA 2 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1ced n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1ced n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ced n ASP 3 N 0.00 4.44 0.21 0.00 -0.08 -1.26 -4.67 116.55 115.18 1ced n ASP 3 Ca 0.00 -2.87 0.07 0.00 -1.51 0.00 0.00 54.79 50.48 1ced n ASP 3 Cb 0.00 -1.71 0.44 0.00 2.34 0.00 0.00 41.12 42.18 1ced n ASP 3 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1ced h LEU 4 N 12.84 0.00 0.13 -2.67 3.38 -1.95 0.14 115.31 127.18 1ced h LEU 4 Ca 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1ced h LEU 4 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ced h LEU 4 CO 1.52 0.31 -0.06 0.00 0.09 0.00 0.00 178.44 180.30 1ced h ALA 5 N 1.69 -0.17 0.54 1.53 0.00 -1.97 0.29 119.26 121.16 1ced h ALA 5 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ced h ALA 5 Cb 0.71 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ced h ALA 5 CO 0.04 -0.42 -0.32 1.25 0.00 0.00 0.00 179.25 179.81 1ced h LEU 6 N -0.53 -0.78 -0.70 0.00 5.85 -1.92 0.91 115.31 118.14 1ced h LEU 6 Ca -0.02 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.85 1ced h LEU 6 Cb 0.42 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.60 1ced h LEU 6 CO 0.03 -0.50 0.32 1.23 -0.34 0.00 0.00 178.44 179.17 1ced h GLY 7 N -0.81 1.05 0.83 3.75 0.00 -1.01 0.17 103.07 107.05 1ced h GLY 7 Ca -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1ced h GLY 7 CO 0.08 0.01 -0.30 1.70 0.00 0.00 0.00 176.54 178.03 1ced h LYS 8 N 0.53 -0.69 -0.74 4.80 3.64 -0.24 0.11 116.57 123.99 1ced h LYS 8 Ca 0.36 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.94 1ced h LYS 8 Cb 0.44 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.31 1ced h LYS 8 CO -0.31 -0.46 0.22 0.00 -2.27 0.00 0.00 179.45 176.63 1ced h ALA 9 N -0.22 0.99 0.56 5.00 0.00 0.39 0.27 119.26 126.25 1ced h ALA 9 Ca -0.05 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1ced h ALA 9 Cb 0.60 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ced h ALA 9 CO 0.03 -0.31 -0.27 0.28 0.00 0.00 0.00 179.25 178.99 1ced h VAL 10 N 0.32 0.45 -0.16 0.00 2.07 -0.86 -2.91 116.25 115.17 1ced h VAL 10 Ca 0.42 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.97 1ced h VAL 10 Cb 0.70 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 1ced h VAL 10 CO -0.48 0.00 -0.48 0.15 0.02 0.00 0.00 177.57 176.78 1ced h PHE 11 N -0.75 -1.41 -0.94 1.57 3.57 0.12 0.18 116.94 119.27 1ced h PHE 11 Ca -0.08 0.06 0.28 0.00 3.53 0.00 0.00 57.97 61.76 1ced h PHE 11 Cb 0.58 0.64 -0.16 0.00 2.79 0.00 0.00 35.95 39.80 1ced h PHE 11 CO -0.04 -0.51 0.30 -0.44 -2.23 0.00 0.00 178.31 175.40 1ced h ASP 12 N -0.53 0.06 0.15 0.41 5.19 -0.62 0.22 116.42 121.30 1ced h ASP 12 Ca 0.06 0.22 -0.25 0.00 -0.62 0.00 0.00 57.03 56.44 1ced h ASP 12 Cb 0.65 0.28 0.01 0.00 0.18 0.00 0.00 39.33 40.46 1ced h ASP 12 CO -0.43 -0.22 -1.16 1.23 -3.12 0.00 0.00 179.24 175.53 1ced h GLY 13 N 0.17 0.36 0.00 2.75 0.00 -0.97 -3.40 103.07 101.98 1ced h GLY 13 Ca 0.63 -0.92 -0.26 0.00 0.00 0.00 0.00 47.33 46.79 1ced h GLY 13 CO -0.71 0.80 -1.98 0.70 0.00 0.00 0.00 176.54 175.35 1ced n ASN 14 N -3.98 1.97 -0.05 0.19 3.02 0.49 -4.76 115.26 112.14 1ced n ASN 14 Ca -0.19 -0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.23 1ced n ASN 14 Cb 0.90 0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 40.42 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 -0.17 2.71 -1.00 0.00 0.00 -1.17 0.99 119.26 120.62 1ced h ALA 16 Ca -0.25 0.05 0.33 0.00 0.00 0.00 0.00 54.91 55.03 1ced h ALA 16 Cb 1.31 0.11 -0.18 0.00 0.00 0.00 0.00 17.79 19.02 1ced h ALA 16 CO -0.09 -1.18 0.22 0.00 0.00 0.00 0.00 179.25 178.20 1ced h ALA 17 N 1.52 1.56 0.00 0.00 0.00 -1.83 0.28 119.26 120.80 1ced h ALA 17 Ca 0.68 0.32 -0.18 0.00 0.00 0.00 0.00 54.91 55.73 1ced h ALA 17 Cb 2.18 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 20.43 1ced h ALA 17 CO -0.25 -0.72 -1.68 0.00 0.00 0.00 0.00 179.25 176.60 1ced n HIS 19 N -2.42 0.61 0.00 0.00 8.25 -0.01 -0.37 115.22 121.27 1ced n HIS 19 Ca -0.17 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.55 1ced n HIS 19 Cb 0.81 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.74 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 -0.28 0.00 -2.79 -1.41 0.00 0.97 0.48 120.51 117.47 1ced n ALA 20 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.33 1ced n ALA 20 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 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 5.70 2.38 0.00 0.00 -1.26 -4.75 105.19 107.26 1ced n GLY 21 Ca 0.00 -2.76 -0.05 0.00 0.00 0.00 0.00 46.02 43.21 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 -0.32 0.72 3.21 -0.02 0.00 0.18 -4.96 105.19 104.00 1ced n GLY 22 Ca 0.33 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1ced n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ced s GLY 23 N -2.47 2.87 -0.43 -0.02 0.00 0.80 -0.86 107.32 107.20 1ced s GLY 23 Ca 0.00 -3.57 -0.41 0.00 0.00 0.00 0.00 44.72 40.73 1ced s GLY 23 CO 0.00 1.21 2.06 0.70 0.00 0.00 0.00 173.10 177.08 1ced n ASN 24 N 3.10 1.35 0.05 1.64 4.13 -1.25 -3.80 115.26 120.48 1ced n ASN 24 Ca 0.17 0.69 -0.13 0.00 1.68 0.00 0.00 54.58 57.00 1ced n ASN 24 Cb 0.40 -1.03 -0.14 0.00 -1.54 0.00 0.00 39.78 37.48 1ced n ASN 24 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1ced h ASN 25 N 9.39 0.22 0.00 6.41 2.35 -1.03 -3.39 115.58 129.53 1ced h ASN 25 Ca -0.22 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1ced h ASN 25 Cb 1.38 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1ced h ASN 25 CO 1.05 1.24 -0.00 0.58 -1.65 0.00 0.00 177.43 178.64 1ced h VAL 26 N 0.04 0.00 -3.12 2.81 2.07 -1.89 -3.40 116.25 112.76 1ced h VAL 26 Ca -0.18 -0.01 -0.74 0.00 0.82 0.00 0.00 66.70 66.59 1ced h VAL 26 Cb 1.94 0.00 -0.23 0.00 -1.52 0.00 0.00 31.29 31.49 1ced h VAL 26 CO 0.14 0.00 0.00 -0.63 0.02 0.00 0.00 177.57 177.10 1ced s ILE 27 N -1.01 5.13 0.27 4.57 1.01 -1.26 -4.97 121.20 124.94 1ced s ILE 27 Ca -0.00 -1.51 0.04 0.00 0.00 0.00 0.00 60.65 59.18 1ced s ILE 27 Cb 0.00 -4.44 0.03 0.00 0.01 0.00 0.00 42.46 38.06 1ced s ILE 27 CO 0.00 -1.02 1.67 1.55 0.00 0.00 0.00 174.94 177.15 1ced h PRO 28 N 8.79 0.36 0.00 2.79 0.13 -1.79 -2.52 132.00 139.76 1ced h PRO 28 Ca -0.20 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1ced h PRO 28 Cb 1.08 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ced h PRO 28 CO 1.01 0.70 -0.14 0.38 -0.23 0.00 0.00 178.00 179.72 1ced h ASP 29 N 0.31 0.00 0.00 1.44 2.03 -1.93 -3.37 116.42 114.89 1ced h ASP 29 Ca 0.03 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.31 1ced h ASP 29 Cb 0.82 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.32 1ced h ASP 29 CO 0.07 0.00 -0.01 1.41 -1.03 0.00 0.00 179.24 179.68 1ced n HIS 30 N -2.85 0.00 -0.99 4.15 8.25 -0.95 -4.89 115.22 117.93 1ced n HIS 30 Ca 0.04 -0.94 -0.31 0.00 -0.26 0.00 0.00 57.72 56.25 1ced n HIS 30 Cb 0.51 -0.52 0.13 0.00 1.12 0.00 0.00 29.99 31.23 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 0.20 2.63 0.00 1.59 -4.23 -1.26 -4.77 115.64 109.80 1ced s THR 31 Ca 0.02 0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.74 1ced s THR 31 Cb 0.01 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 1ced s THR 31 CO 0.00 -0.26 2.08 0.18 -0.54 0.00 0.00 174.62 176.08 1ced n LEU 32 N -3.82 5.17 -4.87 4.79 4.77 -0.04 -4.14 117.00 118.85 1ced n LEU 32 Ca 0.11 -2.40 -0.37 0.00 -0.03 0.00 0.00 56.01 53.32 1ced n LEU 32 Cb 0.52 -1.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.43 1ced n LEU 32 CO 0.51 1.04 -0.11 -1.58 -1.33 0.00 0.00 177.39 175.91 1ced s GLN 33 N 0.16 3.54 0.15 3.23 -0.44 -1.26 -4.46 119.66 120.57 1ced s GLN 33 Ca 0.06 -0.02 -0.32 0.00 -2.50 0.00 0.00 55.36 52.58 1ced s GLN 33 Cb 0.03 -3.19 -0.08 0.00 -1.64 0.00 0.00 33.01 28.12 1ced s GLN 33 CO 0.00 0.76 1.54 -0.22 0.50 0.00 0.00 175.29 177.87 1ced h LYS 34 N 4.90 -0.14 -0.49 1.67 3.64 -1.88 0.28 116.57 124.55 1ced h LYS 34 Ca -0.54 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 58.94 1ced h LYS 34 Cb 1.23 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.99 1ced h LYS 34 CO 0.59 -0.09 -0.04 0.00 -2.27 0.00 0.00 179.45 177.63 1ced h ALA 35 N 0.32 0.42 -0.53 5.00 0.00 -1.95 0.14 119.26 122.66 1ced h ALA 35 Ca 0.13 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1ced h ALA 35 Cb 0.48 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ced h ALA 35 CO -0.82 -0.41 -0.09 0.00 0.00 0.00 0.00 179.25 177.94 1ced h ALA 36 N 1.46 0.72 0.36 0.00 0.00 -1.41 -2.07 119.26 118.31 1ced h ALA 36 Ca 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ced h ALA 36 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ced h ALA 36 CO -0.44 0.61 -0.24 0.82 0.00 0.00 0.00 179.25 180.00 1ced h ILE 37 N 0.86 0.49 -0.56 0.00 2.04 0.19 0.15 117.51 120.67 1ced h ILE 37 Ca 0.14 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1ced h ILE 37 Cb 0.65 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1ced h ILE 37 CO 0.04 0.00 0.37 -0.33 0.00 0.00 0.00 178.15 178.24 1ced h GLU 38 N -0.59 0.73 0.47 2.37 5.08 -0.40 0.20 114.58 122.44 1ced h GLU 38 Ca -0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1ced h GLU 38 Cb 0.50 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ced h GLU 38 CO 0.02 0.48 -0.23 1.96 -1.00 0.00 0.00 179.01 180.25 1ced h GLN 39 N 0.75 -0.61 0.04 2.33 1.08 -1.33 -3.43 115.11 113.93 1ced h GLN 39 Ca 0.21 0.04 -0.32 0.00 -1.45 0.00 0.00 58.65 57.13 1ced h GLN 39 Cb -0.08 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.45 1ced h GLN 39 CO -0.05 -0.40 -1.82 1.19 -0.95 0.00 0.00 178.83 176.81 1ced n PHE 40 N -5.20 1.04 -1.48 2.96 3.72 0.52 -4.89 117.46 114.13 1ced n PHE 40 Ca -0.08 0.32 -0.46 0.00 -0.05 0.00 0.00 57.45 57.18 1ced n PHE 40 Cb 0.25 -1.17 -0.07 0.00 -0.94 0.00 0.00 39.48 37.55 1ced n PHE 40 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1ced n LEU 41 N -3.16 2.09 -4.33 4.37 -0.00 0.64 -4.84 117.00 111.77 1ced n LEU 41 Ca -0.22 0.21 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 1ced n LEU 41 Cb 1.05 -1.31 -0.07 0.00 -0.00 0.00 0.00 43.42 43.09 1ced n LEU 41 CO 0.44 -0.87 1.11 -0.67 -0.00 0.00 0.00 177.39 177.40 1ced n ASP 42 N 11.15 -0.22 0.00 1.96 2.03 -1.26 -0.41 116.55 129.80 1ced n ASP 42 Ca 0.42 -1.85 0.00 0.00 0.52 0.00 0.00 54.79 53.88 1ced n ASP 42 Cb 0.28 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1ced n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ced n GLY 43 N 5.45 1.00 0.00 0.27 0.00 -1.26 -4.91 105.19 105.74 1ced n GLY 43 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 -1.27 2.96 -0.02 0.00 0.46 -4.51 105.19 102.80 1ced n GLY 44 Ca 0.00 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.36 2.48 -4.41 1.61 7.35 -1.26 -4.69 117.46 117.17 1ced n PHE 45 Ca 0.00 -2.24 -0.21 0.00 -0.76 0.00 0.00 57.45 54.24 1ced n PHE 45 Cb 0.00 -2.02 -0.14 0.00 0.35 0.00 0.00 39.48 37.67 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 4.32 1.72 0.05 -2.13 0.01 -1.26 -5.06 114.94 112.58 1ced s ASN 46 Ca 0.54 -0.43 -0.26 0.00 -0.71 0.00 0.00 52.86 51.99 1ced s ASN 46 Cb 0.14 -0.12 -0.17 0.00 0.41 0.00 0.00 41.25 41.51 1ced s ASN 46 CO 0.04 0.06 1.50 0.40 -1.51 0.00 0.00 177.10 177.60 1ced h ILE 47 N 4.53 0.86 -0.83 0.60 1.08 -1.96 -1.28 117.51 120.50 1ced h ILE 47 Ca -0.38 -0.35 0.09 0.00 -0.39 0.00 0.00 64.86 63.83 1ced h ILE 47 Cb 1.18 1.06 -0.11 0.00 -3.07 0.00 0.00 36.82 35.88 1ced h ILE 47 CO 0.45 0.08 -0.46 -0.62 -0.69 0.00 0.00 178.15 176.91 1ced n GLU 48 N -5.14 -0.33 -0.22 2.37 4.71 -1.26 -0.38 120.64 120.39 1ced n GLU 48 Ca -0.09 1.26 -0.00 0.00 -0.01 0.00 0.00 57.16 58.32 1ced n GLU 48 Cb 0.19 -1.86 0.11 0.00 -1.01 0.00 0.00 31.44 28.87 1ced n GLU 48 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ced h ALA 49 N 0.57 0.86 0.45 0.62 0.00 -1.76 0.12 119.26 120.12 1ced h ALA 49 Ca 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ced h ALA 49 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ced h ALA 49 CO -0.79 -0.08 -0.22 0.82 0.00 0.00 0.00 179.25 178.98 1ced h ILE 50 N 0.55 0.56 -0.03 0.00 1.08 0.36 -2.06 117.51 117.96 1ced h ILE 50 Ca 0.31 -0.04 0.03 0.00 -0.39 0.00 0.00 64.86 64.77 1ced h ILE 50 Cb 0.31 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 1ced h ILE 50 CO -0.25 0.01 -0.22 0.58 -0.69 0.00 0.00 178.15 177.58 1ced h VAL 51 N -0.63 0.48 -0.90 1.67 2.07 -0.07 0.16 116.25 119.03 1ced h VAL 51 Ca -0.06 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.69 1ced h VAL 51 Cb 0.48 0.48 -0.16 0.00 -1.52 0.00 0.00 31.29 30.57 1ced h VAL 51 CO 0.10 0.00 0.04 0.22 0.02 0.00 0.00 177.57 177.96 1ced h TYR 52 N -0.33 -0.00 0.47 1.57 3.20 -0.82 0.20 116.97 121.26 1ced h TYR 52 Ca 0.07 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1ced h TYR 52 Cb 0.43 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1ced h TYR 52 CO -0.27 -0.34 -0.36 0.37 -1.64 0.00 0.00 178.16 175.92 1ced h GLN 53 N 0.07 -0.77 -0.38 1.82 5.75 -0.24 -0.79 115.11 120.57 1ced h GLN 53 Ca 0.53 0.05 0.07 0.00 -0.15 0.00 0.00 58.65 59.16 1ced h GLN 53 Cb 1.04 0.17 -0.06 0.00 1.07 0.00 0.00 27.48 29.70 1ced h GLN 53 CO -0.81 -0.51 -0.03 0.82 -2.65 0.00 0.00 178.83 175.65 1ced h ILE 54 N -0.80 0.69 0.11 2.39 5.03 -0.53 -0.28 117.51 124.12 1ced h ILE 54 Ca -0.06 -0.02 0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1ced h ILE 54 Cb 0.66 0.61 -0.02 0.00 -3.03 0.00 0.00 36.82 35.04 1ced h ILE 54 CO 0.02 0.01 -0.25 -0.33 -0.68 0.00 0.00 178.15 176.92 1ced h GLU 55 N 0.07 -0.38 0.00 2.37 5.08 -0.57 0.47 114.58 121.62 1ced h GLU 55 Ca 0.19 0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 1ced h GLU 55 Cb 0.27 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1ced h GLU 55 CO -0.33 -0.26 -1.13 -0.91 -1.00 0.00 0.00 179.01 175.38 1ced h ASN 56 N -0.40 0.00 -3.92 1.42 2.35 -0.88 -0.53 115.58 113.62 1ced h ASN 56 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1ced h ASN 56 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1ced h ASN 56 CO -0.11 0.44 0.00 0.61 -1.65 0.00 0.00 177.43 176.72 1ced n GLY 57 N 1.32 -2.71 0.00 2.83 0.00 -0.14 -4.34 105.19 102.15 1ced n GLY 57 Ca -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.07 1.19 -1.70 1.61 4.76 -0.36 -4.84 118.16 117.75 1ced n LYS 58 Ca 0.00 0.00 -0.61 0.00 -2.87 0.00 0.00 58.31 54.83 1ced n LYS 58 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 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 2.57 0.51 3.93 0.72 0.00 -1.26 -0.92 105.19 110.75 1ced n GLY 59 Ca 0.00 0.93 -0.31 0.00 0.00 0.00 0.00 46.02 46.64 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 4.40 -1.25 -3.63 4.61 0.00 -1.26 -4.93 120.51 118.45 1ced n ALA 60 Ca 0.27 -0.22 -0.26 0.00 0.00 0.00 0.00 53.44 53.22 1ced n ALA 60 Cb 0.06 -1.52 -0.17 0.00 0.00 0.00 0.00 19.45 17.83 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 -6.14 0.17 0.45 0.00 0.00 -0.10 -5.02 119.30 108.66 1ced s MET 61 Ca 0.43 -0.17 -0.23 0.00 0.00 0.00 0.00 55.69 55.72 1ced s MET 61 Cb -0.25 -1.84 -0.10 0.00 0.00 0.00 0.00 34.83 32.64 1ced s MET 61 CO 0.81 -0.69 0.87 -2.30 0.00 0.00 0.00 175.02 173.71 1ced n PRO 62 N 5.24 1.07 -1.71 4.11 -0.02 -1.26 -1.22 135.00 141.20 1ced n PRO 62 Ca -0.07 0.39 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 1ced n PRO 62 Cb 0.48 -1.91 0.06 0.00 -0.02 0.00 0.00 33.50 32.12 1ced n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ced s ALA 63 N -1.37 2.33 0.00 3.55 0.00 -1.26 -4.35 121.76 120.66 1ced s ALA 63 Ca 0.65 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1ced s ALA 63 Cb -0.55 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.11 1ced s ALA 63 CO 0.56 -1.54 0.43 0.91 0.00 0.00 0.00 175.76 176.12 1ced n TRP 64 N -2.19 0.00 -1.58 0.00 7.02 0.16 -4.91 117.44 115.95 1ced n TRP 64 Ca 0.14 0.00 -0.52 0.00 -1.02 0.00 0.00 57.50 56.10 1ced n TRP 64 Cb 0.50 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.33 1ced n TRP 64 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1ced n ASP 65 N -0.07 1.44 0.00 -0.99 2.03 -0.44 -0.98 116.55 117.55 1ced n ASP 65 Ca 0.00 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.44 1ced n ASP 65 Cb 0.01 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 1ced n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ced n GLY 66 N 2.35 0.33 0.13 0.27 0.00 -1.26 -4.72 105.19 102.30 1ced n GLY 66 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1ced n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ced n ARG 67 N -2.00 0.67 -3.99 1.61 1.74 -0.15 -4.94 116.66 109.61 1ced n ARG 67 Ca 0.00 0.26 -0.25 0.00 -0.77 0.00 0.00 57.85 57.08 1ced n ARG 67 Cb 0.00 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 1ced n ARG 67 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ced s LEU 68 N -7.00 4.19 0.96 0.55 1.43 -0.95 -5.12 118.68 112.72 1ced s LEU 68 Ca -0.30 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 1ced s LEU 68 Cb 0.09 -2.76 0.16 0.00 0.03 0.00 0.00 46.19 43.71 1ced s LEU 68 CO 0.65 0.03 1.10 -0.62 0.23 0.00 0.00 176.35 177.74 1ced s ASP 69 N -3.34 3.01 0.10 2.29 -1.08 -1.26 -4.79 116.67 111.60 1ced s ASP 69 Ca 0.34 1.24 -0.20 0.00 -0.52 0.00 0.00 52.55 53.41 1ced s ASP 69 Cb -0.10 -1.91 -0.08 0.00 -1.46 0.00 0.00 42.92 39.37 1ced s ASP 69 CO 0.27 -2.90 1.69 -0.33 0.52 0.00 0.00 175.17 174.42 1ced h GLU 70 N -1.73 0.29 0.01 4.34 5.08 -1.99 0.96 114.58 121.54 1ced h GLU 70 Ca -0.52 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1ced h GLU 70 Cb 1.32 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ced h GLU 70 CO 0.57 0.29 -0.01 0.22 -1.00 0.00 0.00 179.01 179.09 1ced h ASP 71 N 0.21 -0.01 -0.07 1.42 1.82 -1.98 -0.01 116.42 117.80 1ced h ASP 71 Ca 0.07 -0.16 0.02 0.00 -0.39 0.00 0.00 57.03 56.57 1ced h ASP 71 Cb 0.09 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.05 1ced h ASP 71 CO -0.01 0.16 -0.45 -0.08 -1.61 0.00 0.00 179.24 177.25 1ced h GLU 72 N -0.18 -0.49 -0.61 0.28 4.81 -1.92 0.21 114.58 116.69 1ced h GLU 72 Ca -0.00 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1ced h GLU 72 Cb 0.18 0.11 -0.11 0.00 0.63 0.00 0.00 28.75 29.56 1ced h GLU 72 CO 0.00 -0.33 -0.42 0.82 -0.73 0.00 0.00 179.01 178.36 1ced h ILE 73 N -0.51 0.10 -0.81 2.32 1.08 -0.76 0.18 117.51 119.11 1ced h ILE 73 Ca 0.02 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.56 1ced h ILE 73 Cb 0.57 0.10 -0.06 0.00 -3.07 0.00 0.00 36.82 34.36 1ced h ILE 73 CO -0.34 0.00 0.49 0.00 -0.69 0.00 0.00 178.15 177.61 1ced h ALA 74 N 0.72 1.12 -0.10 1.87 0.00 -0.15 0.04 119.26 122.76 1ced h ALA 74 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 1ced h ALA 74 Cb 0.56 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ced h ALA 74 CO -0.70 0.20 -0.87 0.78 0.00 0.00 0.00 179.25 178.65 1ced h GLY 75 N 0.88 0.84 0.99 0.00 0.00 0.40 0.16 103.07 106.34 1ced h GLY 75 Ca 0.36 -1.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.34 1ced h GLY 75 CO -0.19 1.14 0.00 -0.24 0.00 0.00 0.00 176.54 177.25 1ced h VAL 76 N 0.49 1.26 0.60 4.60 3.04 -0.76 0.35 116.25 125.82 1ced h VAL 76 Ca -0.08 -1.05 -0.02 0.00 -1.01 0.00 0.00 66.70 64.54 1ced h VAL 76 Cb 1.51 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 1ced h VAL 76 CO 0.18 0.36 -0.38 0.00 -1.01 0.00 0.00 177.57 176.72 1ced h ALA 77 N 0.92 -0.95 -0.98 3.17 0.00 -0.92 -1.19 119.26 119.31 1ced h ALA 77 Ca 0.13 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1ced h ALA 77 Cb 0.50 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 1ced h ALA 77 CO 0.02 -1.05 0.59 0.00 0.00 0.00 0.00 179.25 178.81 1ced h ALA 78 N -0.62 1.58 0.86 0.00 0.00 -0.88 0.11 119.26 120.31 1ced h ALA 78 Ca -0.07 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ced h ALA 78 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ced h ALA 78 CO 0.06 -0.00 -0.48 -0.92 0.00 0.00 0.00 179.25 177.92 1ced h TYR 79 N 0.79 -1.25 -0.57 0.00 3.20 0.03 0.23 116.97 119.39 1ced h TYR 79 Ca 0.55 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.51 1ced h TYR 79 Cb 0.78 0.43 -0.09 0.00 1.54 0.00 0.00 36.73 39.39 1ced h TYR 79 CO -0.02 -0.73 0.04 0.28 -1.64 0.00 0.00 178.16 176.09 1ced h VAL 80 N -1.24 0.58 -0.26 1.81 2.07 -0.82 0.12 116.25 118.51 1ced h VAL 80 Ca -0.12 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1ced h VAL 80 Cb 0.97 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1ced h VAL 80 CO 0.15 0.03 -0.05 0.22 0.02 0.00 0.00 177.57 177.94 1ced h TYR 81 N 0.16 -0.10 -0.08 1.57 5.03 -0.72 -1.29 116.97 121.54 1ced h TYR 81 Ca 0.30 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.61 1ced h TYR 81 Cb 0.46 0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.82 1ced h TYR 81 CO -0.31 -0.09 -0.00 0.22 -1.32 0.00 0.00 178.16 176.66 1ced h ASP 82 N 0.02 0.14 -0.46 -2.11 1.82 0.53 0.19 116.42 116.54 1ced h ASP 82 Ca 0.12 -0.31 0.09 0.00 -0.39 0.00 0.00 57.03 56.54 1ced h ASP 82 Cb 0.18 -0.04 -0.10 0.00 0.68 0.00 0.00 39.33 40.06 1ced h ASP 82 CO -0.25 0.42 -0.24 1.56 -1.61 0.00 0.00 179.24 179.12 1ced h GLN 83 N -0.14 -0.14 0.74 0.28 1.08 -0.72 0.65 115.11 116.86 1ced h GLN 83 Ca 0.02 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1ced h GLN 83 Cb 0.35 0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1ced h GLN 83 CO 0.00 -0.09 -0.36 0.00 -0.95 0.00 0.00 178.83 177.43 1ced h ALA 84 N 1.11 -1.01 -0.07 3.87 0.00 -1.07 0.56 119.26 122.66 1ced h ALA 84 Ca 0.21 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ced h ALA 84 Cb 0.48 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1ced h ALA 84 CO -0.54 -1.07 -0.29 0.00 0.00 0.00 0.00 179.25 177.35 1ced h ALA 85 N -0.74 -0.36 0.00 0.00 0.00 -0.01 0.21 119.26 118.37 1ced h ALA 85 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ced h ALA 85 Cb 0.77 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ced h ALA 85 CO 0.16 -0.78 0.00 0.41 0.00 0.00 0.00 179.25 179.04 1ced n GLY 86 N -1.39 -1.26 3.88 0.00 0.00 0.16 -4.92 105.19 101.66 1ced n GLY 86 Ca -0.04 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.36 -1.55 -1.05 1.61 5.15 0.06 -4.91 115.26 113.21 1ced n ASN 87 Ca 0.11 -1.01 0.05 0.00 -0.60 0.00 0.00 54.58 53.13 1ced n ASN 87 Cb 0.25 -3.15 0.25 0.00 -0.53 0.00 0.00 39.78 36.61 1ced n ASN 87 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1ced n LYS 88 N -4.37 2.81 0.00 1.20 2.85 0.07 -5.02 118.16 115.71 1ced n LYS 88 Ca -0.26 -2.93 0.01 0.00 -1.05 0.00 0.00 58.31 54.08 1ced n LYS 88 Cb 0.66 -1.88 0.06 0.00 -0.65 0.00 0.00 35.03 33.23 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26