#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 -1.38 -1.78 0.62 0.00 -1.26 -4.94 120.51 111.77 1ced n ALA 2 Ca 0.00 0.21 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 1ced n ALA 2 Cb 0.00 -4.49 -0.01 0.00 0.00 0.00 0.00 19.45 14.94 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 -3.44 6.11 0.13 0.00 2.15 -1.26 -4.49 116.67 115.86 1ced s ASP 3 Ca 0.57 2.13 -0.06 0.00 0.43 0.00 0.00 52.55 55.62 1ced s ASP 3 Cb -0.27 -2.58 -0.09 0.00 -0.30 0.00 0.00 42.92 39.68 1ced s ASP 3 CO 0.80 -0.95 1.32 -0.07 -0.17 0.00 0.00 175.17 176.09 1ced h LEU 4 N 1.65 0.60 -0.10 -1.34 3.38 -1.92 0.38 115.31 117.97 1ced h LEU 4 Ca -0.50 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 56.92 1ced h LEU 4 Cb 1.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ced h LEU 4 CO 0.59 1.24 -0.31 0.00 0.09 0.00 0.00 178.44 180.05 1ced h ALA 5 N 0.72 0.17 -0.13 1.53 0.00 -1.93 0.27 119.26 119.89 1ced h ALA 5 Ca -0.07 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1ced h ALA 5 Cb 1.52 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 1ced h ALA 5 CO 0.16 0.20 -0.38 1.25 0.00 0.00 0.00 179.25 180.48 1ced h LEU 6 N -0.07 -1.20 -0.66 0.00 5.85 -1.95 0.11 115.31 117.39 1ced h LEU 6 Ca -0.01 0.16 0.14 0.00 0.84 0.00 0.00 57.88 59.01 1ced h LEU 6 Cb 0.93 0.50 -0.11 0.00 0.37 0.00 0.00 40.66 42.35 1ced h LEU 6 CO 0.07 -0.40 0.04 1.23 -0.34 0.00 0.00 178.44 179.03 1ced h GLY 7 N -0.46 0.76 0.86 3.75 0.00 -0.78 0.27 103.07 107.47 1ced h GLY 7 Ca 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1ced h GLY 7 CO -0.38 -0.21 -0.28 1.70 0.00 0.00 0.00 176.54 177.37 1ced h LYS 8 N 0.15 -0.66 -0.72 4.80 3.64 0.14 0.87 116.57 124.79 1ced h LYS 8 Ca 0.35 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.92 1ced h LYS 8 Cb 0.58 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.45 1ced h LYS 8 CO -0.53 -0.44 0.19 0.00 -2.27 0.00 0.00 179.45 176.40 1ced h ALA 9 N -0.17 0.94 0.43 5.00 0.00 0.27 0.25 119.26 125.97 1ced h ALA 9 Ca -0.05 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ced h ALA 9 Cb 0.57 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ced h ALA 9 CO 0.04 -0.31 -0.26 0.28 0.00 0.00 0.00 179.25 179.00 1ced h VAL 10 N 0.30 0.45 -0.13 0.00 2.07 -0.82 -2.88 116.25 115.25 1ced h VAL 10 Ca 0.40 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.96 1ced h VAL 10 Cb 0.66 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1ced h VAL 10 CO -0.47 0.00 -0.49 0.15 0.02 0.00 0.00 177.57 176.78 1ced h PHE 11 N -0.66 -1.44 -1.00 1.57 3.04 0.13 0.17 116.94 118.74 1ced h PHE 11 Ca -0.05 0.06 0.31 0.00 3.98 0.00 0.00 57.97 62.27 1ced h PHE 11 Cb 0.54 0.65 -0.15 0.00 2.56 0.00 0.00 35.95 39.56 1ced h PHE 11 CO -0.09 -0.52 0.56 -0.44 -2.02 0.00 0.00 178.31 175.79 1ced h ASP 12 N -0.55 0.51 0.07 0.41 5.19 -0.66 0.14 116.42 121.52 1ced h ASP 12 Ca 0.05 0.19 -0.20 0.00 -0.62 0.00 0.00 57.03 56.45 1ced h ASP 12 Cb 0.67 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 1ced h ASP 12 CO -0.42 -0.11 -1.00 1.23 -3.12 0.00 0.00 179.24 175.82 1ced h GLY 13 N 0.34 0.17 0.00 2.75 0.00 -0.99 -3.41 103.07 101.94 1ced h GLY 13 Ca 0.72 -0.44 -0.33 0.00 0.00 0.00 0.00 47.33 47.28 1ced h GLY 13 CO -0.60 0.39 -2.24 0.70 0.00 0.00 0.00 176.54 174.79 1ced n ASN 14 N -4.20 1.58 -0.09 0.19 3.02 0.47 -4.58 115.26 111.65 1ced n ASN 14 Ca -0.22 -0.07 -0.14 0.00 -0.03 0.00 0.00 54.58 54.13 1ced n ASN 14 Cb 0.76 0.21 -0.08 0.00 -0.61 0.00 0.00 39.78 40.06 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 -0.18 2.71 -0.96 0.00 0.00 -1.24 0.09 119.26 119.66 1ced h ALA 16 Ca -0.41 0.04 0.30 0.00 0.00 0.00 0.00 54.91 54.84 1ced h ALA 16 Cb 1.54 0.10 -0.18 0.00 0.00 0.00 0.00 17.79 19.25 1ced h ALA 16 CO -0.12 -1.16 0.14 0.00 0.00 0.00 0.00 179.25 178.11 1ced n ALA 17 N -2.60 0.61 -0.05 0.00 0.00 -1.26 -0.14 120.51 117.07 1ced n ALA 17 Ca 0.29 1.02 -0.06 0.00 0.00 0.00 0.00 53.44 54.70 1ced n ALA 17 Cb 1.19 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.51 0.05 -3.52 0.00 8.25 -0.48 -2.35 115.22 114.66 1ced n HIS 19 Ca -0.17 0.02 -0.17 0.00 -0.26 0.00 0.00 57.72 57.13 1ced n HIS 19 Cb 0.78 -0.57 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.30 -1.57 0.00 -1.41 0.00 0.80 0.55 120.51 116.58 1ced n ALA 20 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ced n ALA 20 Cb 0.62 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.78 0.31 1.33 0.00 0.00 -1.26 -4.58 105.19 99.21 1ced n GLY 21 Ca -0.15 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 2.30 3.45 -0.02 0.00 -1.19 -4.90 105.19 104.84 1ced n GLY 22 Ca 0.00 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.98 2.47 -0.68 -0.02 0.00 0.19 -0.85 107.32 107.46 1ced s GLY 23 Ca 0.47 -3.39 -0.36 0.00 0.00 0.00 0.00 44.72 41.44 1ced s GLY 23 CO 0.30 1.99 2.40 0.70 0.00 0.00 0.00 173.10 178.49 1ced n ASN 24 N 5.43 0.90 0.06 1.64 4.13 -1.26 -4.08 115.26 122.09 1ced n ASN 24 Ca 0.35 0.33 -0.15 0.00 1.68 0.00 0.00 54.58 56.80 1ced n ASN 24 Cb 0.43 -1.02 -0.06 0.00 -1.54 0.00 0.00 39.78 37.58 1ced n ASN 24 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1ced h ASN 25 N 11.64 0.60 0.13 6.41 7.08 -1.80 -3.31 115.58 136.32 1ced h ASN 25 Ca -0.12 -0.49 -0.01 0.00 -3.08 0.00 0.00 56.30 52.61 1ced h ASN 25 Cb 1.35 -0.18 0.00 0.00 -2.08 0.00 0.00 38.32 37.40 1ced h ASN 25 CO 1.21 1.29 -0.06 0.58 -2.08 0.00 0.00 177.43 178.37 1ced h VAL 26 N 0.25 1.03 -3.36 6.14 2.07 -1.88 -3.37 116.25 117.14 1ced h VAL 26 Ca -0.09 -0.77 -0.64 0.00 0.82 0.00 0.00 66.70 66.02 1ced h VAL 26 Cb 1.62 1.51 -0.41 0.00 -1.52 0.00 0.00 31.29 32.49 1ced h VAL 26 CO 0.17 0.18 -0.64 -0.63 0.02 0.00 0.00 177.57 176.68 1ced s ILE 27 N -4.64 2.53 0.33 4.57 1.01 -1.26 -5.03 121.20 118.70 1ced s ILE 27 Ca -0.15 -3.28 0.10 0.00 0.00 0.00 0.00 60.65 57.32 1ced s ILE 27 Cb 0.02 -2.76 0.34 0.00 0.01 0.00 0.00 42.46 40.07 1ced s ILE 27 CO 0.61 -0.80 1.63 -0.65 0.00 0.00 0.00 174.94 175.73 1ced h PRO 28 N 6.51 0.18 0.00 2.79 0.11 -1.73 -0.63 132.00 139.23 1ced h PRO 28 Ca -0.08 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 1ced h PRO 28 Cb 0.89 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1ced h PRO 28 CO 0.68 0.12 -0.78 0.38 -0.21 0.00 0.00 178.00 178.19 1ced h ASP 29 N 0.19 0.00 -0.34 -2.05 2.03 -1.96 -3.39 116.42 110.89 1ced h ASP 29 Ca 0.68 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.75 1ced h ASP 29 Cb 1.55 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.96 1ced h ASP 29 CO -0.69 0.20 0.10 1.57 -1.03 0.00 0.00 179.24 179.38 1ced n HIS 30 N -2.90 0.74 -1.00 4.15 -0.00 -0.24 -4.92 115.22 111.04 1ced n HIS 30 Ca -0.01 -1.58 -0.29 0.00 0.46 0.00 0.00 57.72 56.31 1ced n HIS 30 Cb 0.63 -1.06 0.19 0.00 -0.12 0.00 0.00 29.99 29.63 1ced n HIS 30 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1ced s THR 31 N -0.84 2.20 0.00 3.57 -4.23 -1.26 -4.78 115.64 110.30 1ced s THR 31 Ca 0.36 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1ced s THR 31 Cb 0.22 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.63 1ced s THR 31 CO -0.04 -0.09 1.09 0.18 -0.54 0.00 0.00 174.62 175.22 1ced n LEU 32 N -4.30 3.08 -4.83 4.79 4.77 -0.03 -4.32 117.00 116.16 1ced n LEU 32 Ca 0.05 -1.46 -0.33 0.00 -0.03 0.00 0.00 56.01 54.25 1ced n LEU 32 Cb 0.56 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1ced n LEU 32 CO 0.57 0.55 0.56 -1.10 -1.33 0.00 0.00 177.39 176.63 1ced s GLN 33 N 0.30 4.12 0.11 3.23 -1.52 -1.26 -4.66 119.66 119.98 1ced s GLN 33 Ca 0.00 0.93 -0.33 0.00 -1.95 0.00 0.00 55.36 54.01 1ced s GLN 33 Cb 0.00 -2.28 -0.11 0.00 -0.22 0.00 0.00 33.01 30.40 1ced s GLN 33 CO 0.00 0.03 1.57 -0.22 -0.25 0.00 0.00 175.29 176.41 1ced h LYS 34 N 1.97 -0.62 -0.66 2.91 3.64 -1.89 0.18 116.57 122.09 1ced h LYS 34 Ca -0.48 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.09 1ced h LYS 34 Cb 1.18 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 1ced h LYS 34 CO 0.63 -0.42 0.45 0.00 -2.27 0.00 0.00 179.45 177.85 1ced h ALA 35 N -0.27 2.33 0.18 5.00 0.00 -1.95 0.11 119.26 124.66 1ced h ALA 35 Ca 0.03 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1ced h ALA 35 Cb 0.70 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.51 1ced h ALA 35 CO -0.33 -0.51 -1.15 0.00 0.00 0.00 0.00 179.25 177.26 1ced h ALA 36 N 1.68 -0.09 0.03 0.00 0.00 -1.49 -2.75 119.26 116.64 1ced h ALA 36 Ca 0.32 -0.81 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1ced h ALA 36 Cb 0.97 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1ced h ALA 36 CO -0.06 0.55 -0.33 0.82 0.00 0.00 0.00 179.25 180.23 1ced h ILE 37 N -0.16 0.29 -0.19 0.00 2.04 -0.11 0.14 117.51 119.52 1ced h ILE 37 Ca -0.21 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1ced h ILE 37 Cb 1.87 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1ced h ILE 37 CO 0.19 0.00 0.05 -0.33 0.00 0.00 0.00 178.15 178.06 1ced h GLU 38 N -0.50 0.26 0.22 2.37 5.08 -0.81 0.27 114.58 121.47 1ced h GLU 38 Ca 0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1ced h GLU 38 Cb 0.57 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ced h GLU 38 CO -0.25 0.24 -0.11 1.96 -1.00 0.00 0.00 179.01 179.85 1ced h GLN 39 N 0.26 -0.29 0.21 2.33 4.20 -1.35 -3.43 115.11 117.05 1ced h GLN 39 Ca 0.07 0.02 -0.31 0.00 0.06 0.00 0.00 58.65 58.48 1ced h GLN 39 Cb 0.10 0.07 0.03 0.00 0.30 0.00 0.00 27.48 27.97 1ced h GLN 39 CO -0.00 -0.19 -1.43 0.74 -0.67 0.00 0.00 178.83 177.27 1ced h PHE 40 N -0.66 0.82 -2.03 2.96 0.04 -0.24 -3.44 116.94 114.39 1ced h PHE 40 Ca -0.03 -0.60 -0.58 0.00 2.80 0.00 0.00 57.97 59.55 1ced h PHE 40 Cb 0.23 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1ced h PHE 40 CO 0.04 1.55 1.47 -1.17 -0.60 0.00 0.00 178.31 179.60 1ced s LEU 41 N -7.58 3.52 -0.24 1.54 1.98 0.92 -4.86 118.68 113.96 1ced s LEU 41 Ca -0.12 1.95 -0.27 0.00 -2.89 0.00 0.00 54.13 52.80 1ced s LEU 41 Cb 0.04 -3.51 -0.30 0.00 0.66 0.00 0.00 46.19 43.08 1ced s LEU 41 CO 0.90 -1.89 1.68 -0.90 -1.89 0.00 0.00 176.35 174.25 1ced n ASP 42 N 11.37 1.48 0.00 3.68 5.75 -1.26 -0.88 116.55 136.68 1ced n ASP 42 Ca 0.29 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 1ced n ASP 42 Cb 0.45 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1ced n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ced n GLY 43 N 4.81 0.45 1.75 6.12 0.00 -1.26 -5.01 105.19 112.06 1ced n GLY 43 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.28 3.00 -0.02 0.00 -0.06 -4.46 105.19 101.38 1ced n GLY 44 Ca 0.00 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.72 2.39 -4.18 1.61 7.35 -1.26 -4.63 117.46 118.02 1ced n PHE 45 Ca 0.00 -2.15 -0.17 0.00 -0.76 0.00 0.00 57.45 54.38 1ced n PHE 45 Cb 0.00 -1.97 -0.12 0.00 0.35 0.00 0.00 39.48 37.73 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 4.50 1.32 0.03 -2.13 0.01 -1.26 -5.07 114.94 112.35 1ced s ASN 46 Ca 0.55 -0.51 -0.25 0.00 -0.71 0.00 0.00 52.86 51.94 1ced s ASN 46 Cb 0.14 -0.04 -0.18 0.00 0.41 0.00 0.00 41.25 41.59 1ced s ASN 46 CO 0.06 -0.08 1.50 0.40 -1.51 0.00 0.00 177.10 177.47 1ced h ILE 47 N 4.47 1.16 -0.90 0.60 1.08 -1.96 -0.94 117.51 121.03 1ced h ILE 47 Ca -0.37 -0.55 0.10 0.00 -0.39 0.00 0.00 64.86 63.64 1ced h ILE 47 Cb 1.19 1.53 -0.12 0.00 -3.07 0.00 0.00 36.82 36.35 1ced h ILE 47 CO 0.42 0.14 -0.54 -0.33 -0.69 0.00 0.00 178.15 177.16 1ced h GLU 48 N -0.27 -0.06 -0.29 2.37 3.07 -1.97 0.18 114.58 117.61 1ced h GLU 48 Ca -0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 1ced h GLU 48 Cb 0.25 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.12 1ced h GLU 48 CO 0.00 -0.04 -0.11 0.00 -1.40 0.00 0.00 179.01 177.46 1ced h ALA 49 N 0.61 0.14 0.41 3.43 0.00 -1.76 0.12 119.26 122.20 1ced h ALA 49 Ca 0.19 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1ced h ALA 49 Cb 0.48 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1ced h ALA 49 CO -0.89 -0.50 -0.31 0.82 0.00 0.00 0.00 179.25 178.37 1ced h ILE 50 N -0.06 0.36 -0.36 0.00 1.08 -0.08 -1.66 117.51 116.79 1ced h ILE 50 Ca 0.15 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.69 1ced h ILE 50 Cb 0.28 0.36 -0.08 0.00 -3.07 0.00 0.00 36.82 34.31 1ced h ILE 50 CO -0.33 0.00 -0.17 0.58 -0.69 0.00 0.00 178.15 177.54 1ced h VAL 51 N -0.71 0.49 -0.65 1.67 2.07 -0.27 -0.15 116.25 118.70 1ced h VAL 51 Ca -0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.61 1ced h VAL 51 Cb 0.61 0.49 -0.12 0.00 -1.52 0.00 0.00 31.29 30.74 1ced h VAL 51 CO 0.00 0.00 -0.18 0.22 0.02 0.00 0.00 177.57 177.63 1ced h TYR 52 N -0.10 -0.39 0.16 1.57 3.20 -0.67 0.37 116.97 121.12 1ced h TYR 52 Ca 0.18 0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1ced h TYR 52 Cb 0.38 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1ced h TYR 52 CO -0.39 -0.29 -0.29 0.37 -1.64 0.00 0.00 178.16 175.92 1ced h GLN 53 N -0.01 -0.51 -0.67 1.82 5.75 -0.06 -2.12 115.11 119.30 1ced h GLN 53 Ca 0.31 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.85 1ced h GLN 53 Cb 0.48 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 1ced h GLN 53 CO -0.67 -0.34 0.44 0.82 -2.65 0.00 0.00 178.83 176.43 1ced h ILE 54 N -0.53 1.17 0.00 2.39 5.03 -0.60 -0.97 117.51 124.00 1ced h ILE 54 Ca 0.02 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 64.45 1ced h ILE 54 Cb 0.54 0.19 0.00 0.00 -3.03 0.00 0.00 36.82 34.52 1ced h ILE 54 CO -0.14 0.16 0.00 1.21 -0.68 0.00 0.00 178.15 178.70 1ced n GLU 55 N -4.62 0.00 0.04 2.37 2.13 0.12 -0.81 120.64 119.87 1ced n GLU 55 Ca 0.06 0.38 0.12 0.00 0.66 0.00 0.00 57.16 58.37 1ced n GLU 55 Cb 0.02 -1.29 0.12 0.00 0.27 0.00 0.00 31.44 30.57 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 -1.51 0.65 -0.50 4.31 0.23 -0.83 -0.53 115.26 117.08 1ced n ASN 56 Ca 0.00 -0.03 0.06 0.00 -0.53 0.00 0.00 54.58 54.08 1ced n ASN 56 Cb 0.00 0.39 -0.03 0.00 -2.08 0.00 0.00 39.78 38.06 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 1.36 -2.69 2.46 4.83 0.00 -0.37 -4.32 105.19 106.45 1ced n GLY 57 Ca 0.03 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.91 0.35 0.00 1.61 4.01 -0.09 -4.87 118.16 116.27 1ced n LYS 58 Ca -0.03 -2.46 0.00 0.00 -0.51 0.00 0.00 58.31 55.31 1ced n LYS 58 Cb 0.24 2.08 0.00 0.00 -0.51 0.00 0.00 35.03 36.83 1ced n LYS 58 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ced n GLY 59 N -0.47 0.00 1.64 0.72 0.00 -1.26 -0.78 105.19 105.03 1ced n GLY 59 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.79 3.19 -3.99 4.61 0.00 -1.26 -5.03 120.51 117.24 1ced n ALA 60 Ca 0.00 -2.93 -0.30 0.00 0.00 0.00 0.00 53.44 50.21 1ced n ALA 60 Cb 0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.28 2.03 0.50 0.00 0.00 0.04 -5.07 119.30 114.51 1ced s MET 61 Ca 0.36 -0.71 -0.22 0.00 0.00 0.00 0.00 55.69 55.12 1ced s MET 61 Cb 0.37 -2.26 -0.06 0.00 0.00 0.00 0.00 34.83 32.88 1ced s MET 61 CO -0.08 -0.37 1.24 -1.25 0.00 0.00 0.00 175.02 174.56 1ced s PRO 62 N 1.46 3.50 0.65 4.11 0.04 -1.26 -0.91 135.00 142.58 1ced s PRO 62 Ca 0.01 1.95 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 1ced s PRO 62 Cb -0.15 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 1ced s PRO 62 CO -0.09 -0.82 1.14 0.00 0.04 0.00 0.00 177.00 177.28 1ced s ALA 63 N -1.46 2.44 0.00 8.56 0.00 -1.26 -4.55 121.76 125.50 1ced s ALA 63 Ca 0.67 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1ced s ALA 63 Cb -0.33 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1ced s ALA 63 CO 0.39 -1.30 0.74 0.91 0.00 0.00 0.00 175.76 176.51 1ced n TRP 64 N -2.18 0.00 -1.72 0.00 7.02 0.31 -4.91 117.44 115.96 1ced n TRP 64 Ca 0.12 -0.27 -0.62 0.00 -1.02 0.00 0.00 57.50 55.70 1ced n TRP 64 Cb 0.51 -0.03 -0.08 0.00 -2.42 0.00 0.00 31.31 29.29 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 -0.27 1.86 0.00 -0.99 5.75 -0.20 -1.76 116.55 120.94 1ced n ASP 65 Ca 0.00 1.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.89 1ced n ASP 65 Cb 0.20 -1.03 0.00 0.00 -1.03 0.00 0.00 41.12 39.27 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 4.21 1.11 0.36 6.12 0.00 -1.26 -4.62 105.19 111.11 1ced n GLY 66 Ca 0.29 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 1.12 -6.26 1.61 3.08 -1.78 -3.40 114.38 108.75 1ced h ARG 67 Ca 0.00 -0.07 -0.63 0.00 0.07 0.00 0.00 59.98 59.35 1ced h ARG 67 Cb 0.00 -0.25 -0.10 0.00 0.08 0.00 0.00 29.97 29.70 1ced h ARG 67 CO 0.00 0.74 -0.62 -0.51 -1.07 0.00 0.00 179.97 178.51 1ced s LEU 68 N -10.17 3.65 0.99 3.04 1.43 -0.72 -5.13 118.68 111.77 1ced s LEU 68 Ca -0.13 -0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 1ced s LEU 68 Cb 0.20 -2.34 0.19 0.00 0.03 0.00 0.00 46.19 44.26 1ced s LEU 68 CO 0.81 0.16 1.15 -0.62 0.23 0.00 0.00 176.35 178.07 1ced s ASP 69 N -2.48 2.76 0.05 2.29 -1.08 -1.26 -4.77 116.67 112.18 1ced s ASP 69 Ca 0.28 0.83 -0.24 0.00 -0.52 0.00 0.00 52.55 52.90 1ced s ASP 69 Cb -0.12 -1.28 -0.17 0.00 -1.46 0.00 0.00 42.92 39.89 1ced s ASP 69 CO 0.21 -3.01 1.58 -0.08 0.52 0.00 0.00 175.17 174.39 1ced h GLU 70 N -1.81 -0.08 -0.29 4.34 4.81 -1.98 0.13 114.58 119.69 1ced h GLU 70 Ca -0.49 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 1ced h GLU 70 Cb 1.31 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1ced h GLU 70 CO 0.52 0.09 0.11 0.22 -0.73 0.00 0.00 179.01 179.22 1ced h ASP 71 N -0.23 0.40 0.37 1.04 1.82 -1.98 -0.06 116.42 117.78 1ced h ASP 71 Ca -0.01 -0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 56.45 1ced h ASP 71 Cb 0.20 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 1ced h ASP 71 CO 0.01 0.47 -0.47 -0.08 -1.61 0.00 0.00 179.24 177.56 1ced h GLU 72 N 0.31 -0.83 -0.58 0.28 4.81 -1.92 0.28 114.58 116.94 1ced h GLU 72 Ca 0.10 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 1ced h GLU 72 Cb 0.19 0.19 -0.10 0.00 0.63 0.00 0.00 28.75 29.66 1ced h GLU 72 CO -0.01 -0.55 -0.47 0.82 -0.73 0.00 0.00 179.01 178.07 1ced h ILE 73 N -0.86 0.06 -0.81 2.32 1.08 -0.67 0.73 117.51 119.37 1ced h ILE 73 Ca -0.04 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.52 1ced h ILE 73 Cb 0.77 0.06 -0.06 0.00 -3.07 0.00 0.00 36.82 34.52 1ced h ILE 73 CO -0.11 0.00 0.53 0.00 -0.69 0.00 0.00 178.15 177.88 1ced h ALA 74 N 0.49 1.73 -0.07 1.87 0.00 -0.60 -0.48 119.26 122.21 1ced h ALA 74 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ced h ALA 74 Cb 0.56 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ced h ALA 74 CO -0.69 0.12 -0.06 0.78 0.00 0.00 0.00 179.25 179.40 1ced h GLY 75 N 0.77 0.17 1.00 0.00 0.00 0.13 0.03 103.07 105.16 1ced h GLY 75 Ca 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1ced h GLY 75 CO -0.14 0.15 0.34 -0.24 0.00 0.00 0.00 176.54 176.65 1ced h VAL 76 N -0.27 1.20 0.48 4.60 3.04 -0.46 0.18 116.25 125.02 1ced h VAL 76 Ca 0.01 -0.50 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 1ced h VAL 76 Cb 0.55 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 1ced h VAL 76 CO 0.01 0.22 -0.34 0.00 -1.01 0.00 0.00 177.57 176.45 1ced h ALA 77 N 1.16 -0.82 -0.67 3.17 0.00 -1.05 -0.71 119.26 120.34 1ced h ALA 77 Ca 0.22 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1ced h ALA 77 Cb 0.04 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 1ced h ALA 77 CO -0.04 -0.98 0.23 0.00 0.00 0.00 0.00 179.25 178.46 1ced h ALA 78 N -0.39 0.89 0.65 0.00 0.00 -0.62 0.98 119.26 120.77 1ced h ALA 78 Ca -0.05 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ced h ALA 78 Cb 0.67 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ced h ALA 78 CO 0.02 -0.23 -0.34 -0.92 0.00 0.00 0.00 179.25 177.78 1ced h TYR 79 N 0.38 -0.88 -0.76 0.00 3.20 -0.51 0.98 116.97 119.38 1ced h TYR 79 Ca 0.36 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.37 1ced h TYR 79 Cb 0.52 0.30 -0.11 0.00 1.54 0.00 0.00 36.73 38.98 1ced h TYR 79 CO -0.19 -0.53 0.25 0.28 -1.64 0.00 0.00 178.16 176.32 1ced h VAL 80 N -0.90 0.56 0.18 1.81 2.07 -0.74 0.15 116.25 119.37 1ced h VAL 80 Ca -0.09 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1ced h VAL 80 Cb 0.71 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1ced h VAL 80 CO 0.12 0.06 -0.16 0.22 0.02 0.00 0.00 177.57 177.84 1ced h TYR 81 N 0.35 -0.41 0.08 1.57 3.20 -0.31 0.11 116.97 121.55 1ced h TYR 81 Ca 0.43 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.32 1ced h TYR 81 Cb 0.72 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 1ced h TYR 81 CO -0.21 -0.24 -0.15 0.22 -1.64 0.00 0.00 178.16 176.14 1ced h ASP 82 N -0.35 -0.43 -0.18 -2.11 3.58 -0.05 0.21 116.42 117.10 1ced h ASP 82 Ca -0.00 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.55 1ced h ASP 82 Cb 0.33 0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 1ced h ASP 82 CO -0.02 -0.22 -0.16 -0.61 -2.88 0.00 0.00 179.24 175.34 1ced h GLN 83 N -0.29 -0.18 0.32 0.28 5.75 -0.63 0.54 115.11 120.89 1ced h GLN 83 Ca 0.03 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1ced h GLN 83 Cb 0.32 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1ced h GLN 83 CO -0.09 -0.12 -0.15 0.00 -2.65 0.00 0.00 178.83 175.81 1ced h ALA 84 N 0.90 -0.43 -0.49 3.38 0.00 -0.70 0.14 119.26 122.07 1ced h ALA 84 Ca 0.11 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1ced h ALA 84 Cb 0.35 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1ced h ALA 84 CO -0.29 -0.57 -0.04 0.00 0.00 0.00 0.00 179.25 178.35 1ced h ALA 85 N -0.23 0.43 0.00 0.00 0.00 -0.44 0.87 119.26 119.89 1ced h ALA 85 Ca -0.04 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ced h ALA 85 Cb 0.51 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ced h ALA 85 CO 0.07 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.32 1ced n GLY 86 N -1.33 -1.11 4.01 0.00 0.00 0.17 -4.91 105.19 102.02 1ced n GLY 86 Ca 0.05 -0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.47 -4.36 0.01 1.61 5.15 0.30 -4.89 115.26 111.60 1ced n ASN 87 Ca 0.05 -1.25 0.13 0.00 -0.60 0.00 0.00 54.58 52.91 1ced n ASN 87 Cb 0.21 -1.93 0.47 0.00 -0.53 0.00 0.00 39.78 37.99 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 -4.86 0.04 0.00 1.20 4.01 0.02 -5.04 118.16 113.53 1ced n LYS 88 Ca -0.11 0.02 0.01 0.00 -0.51 0.00 0.00 58.31 57.72 1ced n LYS 88 Cb 0.57 -1.53 0.06 0.00 -0.51 0.00 0.00 35.03 33.61 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20