#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 -1.41 -1.79 0.62 0.00 -1.26 -4.93 120.51 111.75 1ced n ALA 2 Ca 0.00 0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1ced n ALA 2 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 19.45 15.74 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 -3.50 6.44 0.12 0.00 2.15 -1.26 -4.54 116.67 116.09 1ced s ASP 3 Ca 0.57 2.04 -0.05 0.00 0.43 0.00 0.00 52.55 55.54 1ced s ASP 3 Cb -0.30 -2.58 -0.12 0.00 -0.30 0.00 0.00 42.92 39.63 1ced s ASP 3 CO 0.87 -0.71 1.29 -0.07 -0.17 0.00 0.00 175.17 176.37 1ced h LEU 4 N 1.97 0.55 -0.08 -1.34 3.38 -1.92 0.42 115.31 118.29 1ced h LEU 4 Ca -0.49 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 56.96 1ced h LEU 4 Cb 1.22 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ced h LEU 4 CO 0.60 1.25 -0.23 0.00 0.09 0.00 0.00 178.44 180.16 1ced h ALA 5 N 0.71 0.14 -0.12 1.53 0.00 -1.93 0.27 119.26 119.86 1ced h ALA 5 Ca -0.09 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1ced h ALA 5 Cb 1.61 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 1ced h ALA 5 CO 0.17 0.11 -0.42 1.25 0.00 0.00 0.00 179.25 180.36 1ced h LEU 6 N -0.18 -1.31 -0.72 0.00 5.85 -1.95 0.11 115.31 117.10 1ced h LEU 6 Ca -0.01 0.17 0.16 0.00 0.84 0.00 0.00 57.88 59.05 1ced h LEU 6 Cb 0.84 0.53 -0.11 0.00 0.37 0.00 0.00 40.66 42.29 1ced h LEU 6 CO 0.05 -0.43 0.10 1.23 -0.34 0.00 0.00 178.44 179.05 1ced h GLY 7 N -0.50 0.92 0.95 3.75 0.00 -0.78 0.27 103.07 107.68 1ced h GLY 7 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1ced h GLY 7 CO -0.39 -0.23 -0.24 1.70 0.00 0.00 0.00 176.54 177.38 1ced h LYS 8 N 0.20 -0.65 -0.75 4.80 3.64 0.14 0.11 116.57 124.06 1ced h LYS 8 Ca 0.40 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 60.00 1ced h LYS 8 Cb 0.69 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.54 1ced h LYS 8 CO -0.56 -0.40 0.10 0.00 -2.27 0.00 0.00 179.45 176.32 1ced h ALA 9 N -0.25 0.89 0.54 5.00 0.00 0.18 0.23 119.26 125.84 1ced h ALA 9 Ca -0.07 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ced h ALA 9 Cb 0.54 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ced h ALA 9 CO 0.11 -0.40 -0.28 0.28 0.00 0.00 0.00 179.25 178.97 1ced h VAL 10 N 0.18 0.42 -0.17 0.00 2.07 -0.84 -2.81 116.25 115.10 1ced h VAL 10 Ca 0.42 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.97 1ced h VAL 10 Cb 0.75 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1ced h VAL 10 CO -0.59 0.00 -0.53 0.15 0.02 0.00 0.00 177.57 176.62 1ced h PHE 11 N -0.76 -1.58 -1.02 1.57 3.57 0.12 0.19 116.94 119.03 1ced h PHE 11 Ca -0.07 0.06 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1ced h PHE 11 Cb 0.59 0.71 -0.13 0.00 2.79 0.00 0.00 35.95 39.92 1ced h PHE 11 CO -0.06 -0.52 0.61 -0.44 -2.23 0.00 0.00 178.31 175.67 1ced h ASP 12 N -0.54 0.59 0.10 0.41 5.19 -0.70 0.21 116.42 121.68 1ced h ASP 12 Ca 0.04 0.14 -0.21 0.00 -0.62 0.00 0.00 57.03 56.38 1ced h ASP 12 Cb 0.64 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.22 1ced h ASP 12 CO -0.45 0.03 -1.01 1.23 -3.12 0.00 0.00 179.24 175.92 1ced h GLY 13 N 0.48 0.23 0.00 2.75 0.00 -0.98 -3.40 103.07 102.15 1ced h GLY 13 Ca 0.67 -0.60 -0.33 0.00 0.00 0.00 0.00 47.33 47.08 1ced h GLY 13 CO -0.48 0.52 -2.23 0.70 0.00 0.00 0.00 176.54 175.05 1ced n ASN 14 N -4.13 1.84 -0.10 0.19 3.02 0.54 -4.67 115.26 111.95 1ced n ASN 14 Ca -0.20 -0.08 -0.18 0.00 -0.03 0.00 0.00 54.58 54.09 1ced n ASN 14 Cb 0.80 0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.91 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 -0.38 2.84 -1.00 0.00 0.00 -1.22 0.88 119.26 120.39 1ced h ALA 16 Ca -0.48 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 54.73 1ced h ALA 16 Cb 1.56 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 19.24 1ced h ALA 16 CO -0.19 -1.20 0.14 0.00 0.00 0.00 0.00 179.25 178.00 1ced n ALA 17 N -2.68 0.63 -0.05 0.00 0.00 -1.26 -0.23 120.51 116.91 1ced n ALA 17 Ca 0.25 1.06 -0.04 0.00 0.00 0.00 0.00 53.44 54.71 1ced n ALA 17 Cb 1.12 -0.84 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.38 1.00 -1.71 0.00 8.25 0.01 -0.15 115.22 120.24 1ced n HIS 19 Ca -0.18 -1.73 -0.61 0.00 -0.26 0.00 0.00 57.72 54.94 1ced n HIS 19 Cb 0.81 -0.40 -0.08 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.04 -0.58 -3.08 -1.41 0.00 0.68 0.48 120.51 115.55 1ced n ALA 20 Ca 0.30 0.41 -0.22 0.00 0.00 0.00 0.00 53.44 53.93 1ced n ALA 20 Cb 0.86 -2.11 0.04 0.00 0.00 0.00 0.00 19.45 18.24 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 4.30 -0.48 2.56 0.00 0.00 -1.26 -0.45 105.19 109.85 1ced n GLY 21 Ca 0.30 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.58 0.40 3.40 -0.02 0.00 0.18 -4.88 105.19 102.69 1ced n GLY 22 Ca -0.09 -0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.15 2.46 -0.49 -0.02 0.00 0.40 -0.76 107.32 106.76 1ced s GLY 23 Ca 0.00 -3.24 -0.40 0.00 0.00 0.00 0.00 44.72 41.08 1ced s GLY 23 CO 0.00 1.70 2.20 0.70 0.00 0.00 0.00 173.10 177.70 1ced n ASN 24 N 5.00 1.15 0.09 1.64 4.13 -1.24 -3.68 115.26 122.34 1ced n ASN 24 Ca 0.24 0.55 -0.20 0.00 1.68 0.00 0.00 54.58 56.85 1ced n ASN 24 Cb 0.45 -1.02 -0.12 0.00 -1.54 0.00 0.00 39.78 37.56 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 10.35 0.79 0.23 6.41 2.35 -0.90 -3.33 115.58 131.48 1ced h ASN 25 Ca -0.15 -0.72 -0.01 0.00 -0.55 0.00 0.00 56.30 54.87 1ced h ASN 25 Cb 1.38 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1ced h ASN 25 CO 1.09 1.53 -0.11 0.58 -1.65 0.00 0.00 177.43 178.87 1ced h VAL 26 N 0.26 0.79 -3.43 2.81 2.07 -1.89 -3.39 116.25 113.48 1ced h VAL 26 Ca -0.16 -0.86 -0.65 0.00 0.82 0.00 0.00 66.70 65.85 1ced h VAL 26 Cb 1.86 1.23 -0.41 0.00 -1.52 0.00 0.00 31.29 32.45 1ced h VAL 26 CO 0.22 0.17 -0.63 -0.63 0.02 0.00 0.00 177.57 176.72 1ced s ILE 27 N -4.08 2.61 0.34 4.57 1.01 -1.26 -5.03 121.20 119.36 1ced s ILE 27 Ca -0.13 -3.18 0.13 0.00 0.00 0.00 0.00 60.65 57.47 1ced s ILE 27 Cb 0.01 -2.82 0.33 0.00 0.01 0.00 0.00 42.46 39.99 1ced s ILE 27 CO 0.52 -0.78 1.68 -0.65 0.00 0.00 0.00 174.94 175.71 1ced h PRO 28 N 6.67 0.38 0.00 2.79 0.11 -1.77 -0.70 132.00 139.47 1ced h PRO 28 Ca -0.07 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 1ced h PRO 28 Cb 0.91 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1ced h PRO 28 CO 0.67 0.25 -0.77 0.38 -0.21 0.00 0.00 178.00 178.33 1ced h ASP 29 N 0.40 0.00 -0.26 -2.05 2.03 -1.96 -3.40 116.42 111.18 1ced h ASP 29 Ca 0.71 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.83 1ced h ASP 29 Cb 1.56 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.98 1ced h ASP 29 CO -0.57 0.14 0.14 1.57 -1.03 0.00 0.00 179.24 179.49 1ced n HIS 30 N -2.87 0.69 -1.09 4.15 -0.00 -0.27 -4.87 115.22 110.96 1ced n HIS 30 Ca -0.00 -1.49 -0.29 0.00 0.46 0.00 0.00 57.72 56.40 1ced n HIS 30 Cb 0.61 -0.86 0.16 0.00 -0.12 0.00 0.00 29.99 29.77 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 -0.90 2.45 -0.18 3.57 -4.23 -1.26 -4.78 115.64 110.31 1ced s THR 31 Ca 0.24 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 1ced s THR 31 Cb 0.16 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1ced s THR 31 CO -0.02 -0.19 0.82 0.18 -0.54 0.00 0.00 174.62 174.87 1ced n LEU 32 N -4.07 2.39 -4.86 4.79 4.77 0.06 -4.11 117.00 115.96 1ced n LEU 32 Ca 0.07 -1.19 -0.30 0.00 -0.03 0.00 0.00 56.01 54.55 1ced n LEU 32 Cb 0.55 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1ced n LEU 32 CO 0.56 0.41 0.73 -1.10 -1.33 0.00 0.00 177.39 176.66 1ced s GLN 33 N -0.11 2.88 0.06 3.23 -1.52 -1.26 -4.38 119.66 118.56 1ced s GLN 33 Ca 0.00 0.63 -0.32 0.00 -1.95 0.00 0.00 55.36 53.71 1ced s GLN 33 Cb 0.00 -2.01 -0.17 0.00 -0.22 0.00 0.00 33.01 30.61 1ced s GLN 33 CO 0.00 -1.06 1.49 -0.22 -0.25 0.00 0.00 175.29 175.26 1ced h LYS 34 N -0.68 -1.03 -0.61 2.91 3.64 -1.89 -0.61 116.57 118.31 1ced h LYS 34 Ca -0.45 0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.13 1ced h LYS 34 Cb 1.24 0.23 -0.11 0.00 -0.41 0.00 0.00 32.23 33.18 1ced h LYS 34 CO 0.62 -0.69 -0.09 0.00 -2.27 0.00 0.00 179.45 177.02 1ced h ALA 35 N -1.26 0.49 -0.60 5.00 0.00 -1.94 0.93 119.26 121.87 1ced h ALA 35 Ca -0.09 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ced h ALA 35 Cb 0.86 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1ced h ALA 35 CO 0.09 -0.42 0.18 0.00 0.00 0.00 0.00 179.25 179.10 1ced h ALA 36 N 1.59 0.79 0.30 0.00 0.00 -1.77 -0.86 119.26 119.31 1ced h ALA 36 Ca 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ced h ALA 36 Cb 0.48 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ced h ALA 36 CO -0.59 0.47 -0.17 0.82 0.00 0.00 0.00 179.25 179.79 1ced h ILE 37 N 0.87 0.64 -0.72 0.00 2.04 -0.01 0.13 117.51 120.46 1ced h ILE 37 Ca 0.19 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.12 1ced h ILE 37 Cb 0.31 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1ced h ILE 37 CO -0.00 0.00 0.47 -0.33 0.00 0.00 0.00 178.15 178.29 1ced h GLU 38 N -0.45 0.71 0.36 2.37 5.08 -0.28 0.16 114.58 122.54 1ced h GLU 38 Ca -0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1ced h GLU 38 Cb 0.36 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ced h GLU 38 CO 0.04 0.47 -0.17 1.96 -1.00 0.00 0.00 179.01 180.31 1ced h GLN 39 N 0.74 -0.47 0.00 2.33 1.08 -1.05 -3.42 115.11 114.32 1ced h GLN 39 Ca 0.31 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.54 1ced h GLN 39 Cb 0.28 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1ced h GLN 39 CO -0.10 -0.31 -0.92 0.74 -0.95 0.00 0.00 178.83 177.28 1ced h PHE 40 N -0.95 0.00 -0.69 2.96 0.04 -0.35 -3.41 116.94 114.55 1ced h PHE 40 Ca -0.05 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.42 1ced h PHE 40 Cb 0.37 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.48 1ced h PHE 40 CO 0.02 0.01 0.79 -1.17 -0.60 0.00 0.00 178.31 177.36 1ced s LEU 41 N -5.44 3.16 0.00 1.54 2.96 0.52 -4.88 118.68 116.54 1ced s LEU 41 Ca 0.00 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 1ced s LEU 41 Cb 0.09 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.22 1ced s LEU 41 CO 0.78 -2.77 0.00 -0.90 -1.32 0.00 0.00 176.35 172.14 1ced n ASP 42 N 13.95 0.00 0.00 3.68 5.68 -1.26 -0.29 116.55 138.31 1ced n ASP 42 Ca 0.41 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.82 1ced n ASP 42 Cb 0.47 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.15 1ced n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ced n GLY 43 N -0.46 -0.99 0.00 6.12 0.00 -1.26 -5.02 105.19 103.58 1ced n GLY 43 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.85 -0.87 3.42 -0.02 0.00 0.60 -4.70 105.19 104.48 1ced n GLY 44 Ca 0.18 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.78 3.12 -3.91 1.61 7.35 -1.26 -4.66 117.46 118.93 1ced n PHE 45 Ca 0.00 -2.00 -0.10 0.00 -0.76 0.00 0.00 57.45 54.59 1ced n PHE 45 Cb 0.00 -2.45 -0.10 0.00 0.35 0.00 0.00 39.48 37.29 1ced n PHE 45 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ced s ASN 46 N 5.36 0.12 0.23 -2.13 2.20 -1.26 -5.05 114.94 114.41 1ced s ASN 46 Ca 0.61 -0.41 -0.09 0.00 -0.94 0.00 0.00 52.86 52.03 1ced s ASN 46 Cb 0.05 0.22 0.36 0.00 -2.00 0.00 0.00 41.25 39.87 1ced s ASN 46 CO 0.10 -0.46 1.67 0.40 -2.94 0.00 0.00 177.10 175.87 1ced h ILE 47 N 3.90 0.49 -0.17 0.54 1.08 -1.95 -1.75 117.51 119.64 1ced h ILE 47 Ca -0.32 -0.06 0.05 0.00 -0.39 0.00 0.00 64.86 64.15 1ced h ILE 47 Cb 1.19 0.31 -0.06 0.00 -3.07 0.00 0.00 36.82 35.18 1ced h ILE 47 CO 0.46 0.03 -0.27 -0.33 -0.69 0.00 0.00 178.15 177.36 1ced h GLU 48 N 0.16 -0.30 -0.10 2.37 5.08 -1.96 0.17 114.58 119.99 1ced h GLU 48 Ca 0.36 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.76 1ced h GLU 48 Cb 0.60 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1ced h GLU 48 CO -0.53 -0.20 -0.03 0.00 -1.00 0.00 0.00 179.01 177.25 1ced h ALA 49 N 0.63 0.06 0.25 3.43 0.00 -1.73 0.50 119.26 122.41 1ced h ALA 49 Ca 0.11 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ced h ALA 49 Cb 0.49 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1ced h ALA 49 CO -0.35 -0.49 -0.48 0.82 0.00 0.00 0.00 179.25 178.74 1ced h ILE 50 N -0.01 0.06 -0.25 0.00 1.08 -0.44 1.00 117.51 118.96 1ced h ILE 50 Ca 0.05 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.58 1ced h ILE 50 Cb 0.08 0.06 -0.07 0.00 -3.07 0.00 0.00 36.82 33.82 1ced h ILE 50 CO -0.11 0.00 -0.29 0.58 -0.69 0.00 0.00 178.15 177.64 1ced h VAL 51 N -0.81 0.32 -0.75 1.67 2.07 -0.52 -0.03 116.25 118.20 1ced h VAL 51 Ca -0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 1ced h VAL 51 Cb 0.77 0.32 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 1ced h VAL 51 CO -0.20 0.00 0.29 0.22 0.02 0.00 0.00 177.57 177.90 1ced h TYR 52 N -0.30 0.48 0.36 1.57 3.20 -0.64 0.20 116.97 121.85 1ced h TYR 52 Ca 0.13 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1ced h TYR 52 Cb 0.51 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1ced h TYR 52 CO -0.43 0.04 -0.23 0.37 -1.64 0.00 0.00 178.16 176.27 1ced h GLN 53 N 0.42 -0.55 -0.10 1.82 5.75 0.97 -0.47 115.11 122.94 1ced h GLN 53 Ca 0.42 0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.98 1ced h GLN 53 Cb 0.65 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 1ced h GLN 53 CO -0.42 -0.37 -0.08 0.82 -2.65 0.00 0.00 178.83 176.13 1ced h ILE 54 N -0.57 0.76 0.04 2.39 5.03 -0.32 0.13 117.51 124.96 1ced h ILE 54 Ca -0.04 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.71 1ced h ILE 54 Cb 0.48 0.76 -0.02 0.00 -3.03 0.00 0.00 36.82 35.00 1ced h ILE 54 CO 0.03 0.00 -0.21 -0.33 -0.68 0.00 0.00 178.15 176.97 1ced h GLU 55 N -0.10 -0.28 0.00 2.37 5.08 -0.51 0.38 114.58 121.52 1ced h GLU 55 Ca 0.07 0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.22 1ced h GLU 55 Cb 0.20 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1ced h GLU 55 CO -0.16 -0.19 -1.32 -0.91 -1.00 0.00 0.00 179.01 175.43 1ced h ASN 56 N -0.29 0.00 -4.01 1.42 2.35 -0.98 0.86 115.58 114.93 1ced h ASN 56 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ced h ASN 56 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1ced h ASN 56 CO -0.12 0.90 -0.26 0.61 -1.65 0.00 0.00 177.43 176.92 1ced n GLY 57 N 1.43 -3.42 2.89 2.83 0.00 0.43 -4.18 105.19 105.18 1ced n GLY 57 Ca -0.08 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 1ced n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ced s LYS 58 N -5.28 0.23 4.41 1.61 2.36 -1.18 -4.87 119.74 117.02 1ced s LYS 58 Ca 0.00 -0.06 0.00 0.00 -2.55 0.00 0.00 55.97 53.36 1ced s LYS 58 Cb 0.00 -0.27 0.00 0.00 -1.05 0.00 0.00 37.83 36.51 1ced s LYS 58 CO 0.00 0.02 0.00 0.41 1.55 0.00 0.00 175.35 177.33 1ced n GLY 59 N 3.26 2.48 0.80 5.54 0.00 -1.26 -1.18 105.19 114.83 1ced n GLY 59 Ca -0.16 0.36 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 10.52 2.48 -2.58 4.61 0.00 -1.26 -4.93 120.51 129.35 1ced n ALA 60 Ca 0.00 -0.70 -0.38 0.00 0.00 0.00 0.00 53.44 52.36 1ced n ALA 60 Cb 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.72 4.29 0.48 0.00 0.00 -0.32 -5.06 119.30 116.97 1ced s MET 61 Ca 0.34 0.61 -0.22 0.00 0.00 0.00 0.00 55.69 56.43 1ced s MET 61 Cb 0.20 -3.37 -0.07 0.00 0.00 0.00 0.00 34.83 31.59 1ced s MET 61 CO 0.29 0.32 1.12 -1.25 0.00 0.00 0.00 175.02 175.50 1ced s PRO 62 N 0.03 3.67 0.70 4.11 0.04 -1.26 -3.13 135.00 139.16 1ced s PRO 62 Ca 0.29 1.64 -0.15 0.00 0.04 0.00 0.00 61.00 62.82 1ced s PRO 62 Cb -0.17 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 32.14 1ced s PRO 62 CO 0.15 -0.59 1.15 0.00 0.04 0.00 0.00 177.00 177.75 1ced s ALA 63 N -1.69 2.28 0.00 8.56 0.00 -1.26 -4.42 121.76 125.23 1ced s ALA 63 Ca 0.66 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1ced s ALA 63 Cb -0.25 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1ced s ALA 63 CO 0.29 -1.59 0.42 0.91 0.00 0.00 0.00 175.76 175.79 1ced n TRP 64 N -2.63 0.00 -1.59 0.00 7.02 0.12 -4.90 117.44 115.47 1ced n TRP 64 Ca 0.12 0.00 -0.46 0.00 -1.02 0.00 0.00 57.50 56.14 1ced n TRP 64 Cb 0.51 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.38 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 -0.06 1.32 0.00 -0.99 2.03 0.10 -1.10 116.55 117.86 1ced n ASP 65 Ca 0.00 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.48 1ced n ASP 65 Cb 0.03 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 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 1.45 0.17 0.13 0.27 0.00 -1.26 -4.68 105.19 101.28 1ced n GLY 66 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 0.71 -4.05 1.61 1.74 -0.26 -4.91 116.66 109.50 1ced n ARG 67 Ca 0.00 0.30 -0.26 0.00 -0.77 0.00 0.00 57.85 57.12 1ced n ARG 67 Cb 0.00 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.46 29.70 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 -7.15 3.93 0.95 0.55 1.43 -0.94 -5.13 118.68 112.33 1ced s LEU 68 Ca -0.25 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 1ced s LEU 68 Cb 0.07 -2.53 0.16 0.00 0.03 0.00 0.00 46.19 43.92 1ced s LEU 68 CO 0.72 0.06 1.15 -0.62 0.23 0.00 0.00 176.35 177.89 1ced s ASP 69 N -3.17 3.14 0.07 2.29 -1.08 -1.26 -4.80 116.67 111.86 1ced s ASP 69 Ca 0.32 0.86 -0.26 0.00 -0.52 0.00 0.00 52.55 52.95 1ced s ASP 69 Cb -0.10 -1.35 -0.17 0.00 -1.46 0.00 0.00 42.92 39.84 1ced s ASP 69 CO 0.25 -2.77 1.62 -0.08 0.52 0.00 0.00 175.17 174.70 1ced h GLU 70 N -1.65 -0.30 -0.22 4.34 4.81 -2.00 0.94 114.58 120.50 1ced h GLU 70 Ca -0.49 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1ced h GLU 70 Cb 1.32 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 1ced h GLU 70 CO 0.56 -0.15 0.07 0.22 -0.73 0.00 0.00 179.01 178.99 1ced h ASP 71 N -0.38 0.31 0.04 1.04 1.82 -1.98 -0.24 116.42 117.02 1ced h ASP 71 Ca -0.03 -0.19 0.01 0.00 -0.39 0.00 0.00 57.03 56.43 1ced h ASP 71 Cb 0.29 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.18 1ced h ASP 71 CO 0.05 0.41 -0.45 -0.08 -1.61 0.00 0.00 179.24 177.57 1ced h GLU 72 N 0.18 -0.57 -0.49 0.28 4.81 -1.93 0.28 114.58 117.15 1ced h GLU 72 Ca 0.07 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 1ced h GLU 72 Cb 0.21 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 29.62 1ced h GLU 72 CO -0.00 -0.38 -0.41 0.82 -0.73 0.00 0.00 179.01 178.31 1ced h ILE 73 N -0.59 0.12 -0.87 2.32 1.08 -0.70 0.49 117.51 119.36 1ced h ILE 73 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 1ced h ILE 73 Cb 0.62 0.12 -0.06 0.00 -3.07 0.00 0.00 36.82 34.43 1ced h ILE 73 CO -0.28 0.00 0.57 0.00 -0.69 0.00 0.00 178.15 177.75 1ced h ALA 74 N 0.60 1.59 -0.06 1.87 0.00 -0.50 -0.36 119.26 122.40 1ced h ALA 74 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ced h ALA 74 Cb 0.57 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ced h ALA 74 CO -0.63 0.25 -0.08 0.78 0.00 0.00 0.00 179.25 179.58 1ced h GLY 75 N 0.93 0.18 1.00 0.00 0.00 0.95 -0.24 103.07 105.88 1ced h GLY 75 Ca 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1ced h GLY 75 CO -0.15 0.17 0.32 -0.24 0.00 0.00 0.00 176.54 176.64 1ced h VAL 76 N -0.30 1.21 0.40 4.60 3.04 -0.63 0.16 116.25 124.74 1ced h VAL 76 Ca 0.01 -0.57 -0.01 0.00 -1.01 0.00 0.00 66.70 65.12 1ced h VAL 76 Cb 0.61 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.31 1ced h VAL 76 CO 0.02 0.24 -0.34 0.00 -1.01 0.00 0.00 177.57 176.47 1ced h ALA 77 N 1.14 -0.77 -0.66 3.17 0.00 -1.03 -0.65 119.26 120.47 1ced h ALA 77 Ca 0.22 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1ced h ALA 77 Cb 0.09 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.25 1ced h ALA 77 CO -0.03 -0.96 0.13 0.00 0.00 0.00 0.00 179.25 178.39 1ced h ALA 78 N -0.29 0.79 0.31 0.00 0.00 -0.66 0.12 119.26 119.52 1ced h ALA 78 Ca -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ced h ALA 78 Cb 0.66 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ced h ALA 78 CO -0.02 -0.33 -0.15 -0.92 0.00 0.00 0.00 179.25 177.83 1ced h TYR 79 N 0.25 -0.38 -0.72 0.00 3.20 -0.48 0.11 116.97 118.95 1ced h TYR 79 Ca 0.36 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.32 1ced h TYR 79 Cb 0.57 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.89 1ced h TYR 79 CO -0.27 -0.23 0.34 0.28 -1.64 0.00 0.00 178.16 176.65 1ced h VAL 80 N -0.43 0.81 -0.10 1.81 2.07 -0.69 0.89 116.25 120.61 1ced h VAL 80 Ca -0.04 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1ced h VAL 80 Cb 0.33 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1ced h VAL 80 CO 0.07 0.10 -0.03 0.22 0.02 0.00 0.00 177.57 177.96 1ced h TYR 81 N 0.57 -0.06 0.26 1.57 3.20 -0.26 0.41 116.97 122.67 1ced h TYR 81 Ca 0.36 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.24 1ced h TYR 81 Cb 0.42 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1ced h TYR 81 CO -0.12 -0.05 -0.24 0.22 -1.64 0.00 0.00 178.16 176.33 1ced h ASP 82 N -0.00 -0.64 -0.37 -2.11 3.58 -0.10 0.25 116.42 117.03 1ced h ASP 82 Ca 0.05 0.06 0.07 0.00 0.42 0.00 0.00 57.03 57.63 1ced h ASP 82 Cb 0.08 0.22 -0.09 0.00 1.72 0.00 0.00 39.33 41.26 1ced h ASP 82 CO -0.11 -0.36 -0.36 1.56 -2.88 0.00 0.00 179.24 177.10 1ced h GLN 83 N -0.53 -0.29 -0.18 0.28 1.08 -0.66 0.01 115.11 114.82 1ced h GLN 83 Ca -0.01 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1ced h GLN 83 Cb 0.48 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1ced h GLN 83 CO -0.04 -0.19 0.09 0.00 -0.95 0.00 0.00 178.83 177.74 1ced h ALA 84 N 0.61 0.23 0.15 3.87 0.00 -0.75 0.29 119.26 123.66 1ced h ALA 84 Ca 0.15 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ced h ALA 84 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ced h ALA 84 CO -0.53 -0.22 -0.16 0.00 0.00 0.00 0.00 179.25 178.35 1ced h ALA 85 N 0.97 -0.31 0.00 0.00 0.00 0.16 0.15 119.26 120.23 1ced h ALA 85 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ced h ALA 85 Cb 0.10 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ced h ALA 85 CO -0.01 -0.70 0.00 0.41 0.00 0.00 0.00 179.25 178.95 1ced n GLY 86 N -1.29 -1.23 4.19 0.00 0.00 -0.07 -4.91 105.19 101.87 1ced n GLY 86 Ca -0.07 -0.07 -0.31 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 -1.53 -0.73 -2.23 1.61 5.15 0.73 -4.88 115.26 113.38 1ced n ASN 87 Ca 0.05 -1.12 -0.30 0.00 -0.60 0.00 0.00 54.58 52.61 1ced n ASN 87 Cb 0.25 -2.39 0.11 0.00 -0.53 0.00 0.00 39.78 37.22 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 -4.42 2.59 0.00 1.20 0.00 0.48 -4.97 118.16 113.04 1ced n LYS 88 Ca -0.19 -3.26 0.09 0.00 -0.00 0.00 0.00 58.31 54.95 1ced n LYS 88 Cb 0.62 -2.24 0.55 0.00 -0.00 0.00 0.00 35.03 33.96 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31