#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 -2.88 0.62 0.00 -1.26 -4.28 120.51 112.71 1ced n ALA 2 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1ced n ALA 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -4.00 6.33 -0.06 0.00 2.15 -1.26 -5.01 116.67 114.82 1ced s ASP 3 Ca 0.00 0.39 0.14 0.00 0.43 0.00 0.00 52.55 53.51 1ced s ASP 3 Cb 0.00 -2.01 -0.23 0.00 -0.30 0.00 0.00 42.92 40.39 1ced s ASP 3 CO 0.00 0.33 0.60 0.18 -0.17 0.00 0.00 175.17 176.11 1ced n LEU 4 N 1.46 0.75 0.01 -1.34 4.77 -1.26 -3.71 117.00 117.69 1ced n LEU 4 Ca -0.15 0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 1ced n LEU 4 Cb 0.54 0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.74 1ced n LEU 4 CO 0.37 0.38 0.60 0.00 -1.33 0.00 0.00 177.39 177.41 1ced h ALA 5 N 1.04 -0.07 0.18 -1.18 0.00 -1.96 0.21 119.26 117.48 1ced h ALA 5 Ca -0.31 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1ced h ALA 5 Cb 2.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 1ced h ALA 5 CO 0.07 -0.30 -0.44 1.25 0.00 0.00 0.00 179.25 179.83 1ced h LEU 6 N -0.56 -1.30 -0.69 0.00 5.85 -1.96 0.13 115.31 116.78 1ced h LEU 6 Ca -0.01 0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1ced h LEU 6 Cb 0.49 0.48 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 1ced h LEU 6 CO 0.01 -0.52 0.30 1.23 -0.34 0.00 0.00 178.44 179.12 1ced h GLY 7 N -0.72 1.02 0.78 3.75 0.00 -1.63 0.09 103.07 106.36 1ced h GLY 7 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1ced h GLY 7 CO -0.22 -0.01 -0.26 1.70 0.00 0.00 0.00 176.54 177.75 1ced h LYS 8 N 0.50 -0.57 -0.71 4.80 3.64 -0.25 0.10 116.57 124.08 1ced h LYS 8 Ca 0.35 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.92 1ced h LYS 8 Cb 0.44 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 32.29 1ced h LYS 8 CO -0.32 -0.38 0.16 0.00 -2.27 0.00 0.00 179.45 176.64 1ced h ALA 9 N -0.00 0.89 0.33 5.00 0.00 0.54 0.25 119.26 126.28 1ced h ALA 9 Ca -0.02 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ced h ALA 9 Cb 0.52 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ced h ALA 9 CO -0.01 -0.33 -0.16 0.28 0.00 0.00 0.00 179.25 179.03 1ced h VAL 10 N 0.26 0.68 -0.06 0.00 2.07 -0.85 -2.92 116.25 115.43 1ced h VAL 10 Ca 0.39 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.91 1ced h VAL 10 Cb 0.66 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1ced h VAL 10 CO -0.49 0.01 -0.49 0.15 0.02 0.00 0.00 177.57 176.76 1ced h PHE 11 N -0.46 -1.44 -0.98 1.57 3.57 0.11 0.13 116.94 119.43 1ced h PHE 11 Ca -0.05 0.05 0.29 0.00 3.53 0.00 0.00 57.97 61.80 1ced h PHE 11 Cb 0.35 0.64 -0.14 0.00 2.79 0.00 0.00 35.95 39.59 1ced h PHE 11 CO -0.05 -0.54 0.53 -0.44 -2.23 0.00 0.00 178.31 175.58 1ced h ASP 12 N -0.60 0.48 0.02 0.41 5.19 -0.64 0.22 116.42 121.49 1ced h ASP 12 Ca 0.04 0.18 -0.08 0.00 -0.62 0.00 0.00 57.03 56.55 1ced h ASP 12 Cb 0.69 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.33 1ced h ASP 12 CO -0.38 -0.09 -0.41 1.23 -3.12 0.00 0.00 179.24 176.47 1ced h GLY 13 N 0.36 0.05 0.00 2.75 0.00 -1.08 -3.40 103.07 101.75 1ced h GLY 13 Ca 0.69 -0.14 -0.37 0.00 0.00 0.00 0.00 47.33 47.51 1ced h GLY 13 CO -0.59 0.12 -2.41 0.70 0.00 0.00 0.00 176.54 174.37 1ced n ASN 14 N -4.48 0.48 -0.05 0.19 3.02 0.36 -4.68 115.26 110.10 1ced n ASN 14 Ca -0.15 -0.03 -0.09 0.00 -0.03 0.00 0.00 54.58 54.27 1ced n ASN 14 Cb 0.58 0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 40.38 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 -0.21 2.78 -0.96 0.00 0.00 -1.22 0.92 119.26 120.56 1ced h ALA 16 Ca -0.23 -0.01 0.29 0.00 0.00 0.00 0.00 54.91 54.96 1ced h ALA 16 Cb 1.25 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.93 1ced h ALA 16 CO -0.10 -1.11 0.11 0.00 0.00 0.00 0.00 179.25 178.14 1ced n ALA 17 N -2.66 0.58 -0.07 0.00 0.00 -1.26 -0.15 120.51 116.94 1ced n ALA 17 Ca 0.24 1.02 -0.08 0.00 0.00 0.00 0.00 53.44 54.62 1ced n ALA 17 Cb 1.06 -0.79 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.62 1.16 -1.03 0.00 8.25 -0.01 -0.00 115.22 120.98 1ced n HIS 19 Ca -0.24 -1.68 -0.40 0.00 -0.26 0.00 0.00 57.72 55.14 1ced n HIS 19 Cb 0.92 -0.50 -0.06 0.00 1.12 0.00 0.00 29.99 31.47 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 -1.11 -0.91 -0.57 -1.41 0.00 0.79 -1.60 120.51 115.71 1ced n ALA 20 Ca 0.34 0.30 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1ced n ALA 20 Cb 1.01 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 2.28 1.08 1.12 0.00 0.00 -1.26 -0.57 105.19 107.83 1ced n GLY 21 Ca 0.18 0.33 0.03 0.00 0.00 0.00 0.00 46.02 46.56 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 1.39 3.39 -0.02 0.00 -0.80 -4.99 105.19 104.16 1ced n GLY 22 Ca 0.00 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.89 2.40 -0.42 -0.02 0.00 0.26 -0.93 107.32 106.71 1ced s GLY 23 Ca 0.26 -3.15 -0.36 0.00 0.00 0.00 0.00 44.72 41.47 1ced s GLY 23 CO -0.11 1.63 2.22 -2.01 0.00 0.00 0.00 173.10 174.84 1ced n ASN 24 N 5.04 1.76 0.18 1.64 2.85 -1.25 -3.74 115.26 121.74 1ced n ASN 24 Ca 0.21 0.40 0.07 0.00 -0.11 0.00 0.00 54.58 55.14 1ced n ASN 24 Cb 0.47 -1.19 0.11 0.00 1.24 0.00 0.00 39.78 40.41 1ced n ASN 24 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1ced h ASN 25 N 12.08 0.00 0.00 1.20 2.35 -0.76 -3.27 115.58 127.18 1ced h ASN 25 Ca -0.22 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.41 1ced h ASN 25 Cb 1.34 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.69 1ced h ASN 25 CO 1.06 0.29 -0.69 0.58 -1.65 0.00 0.00 177.43 177.03 1ced h VAL 26 N 0.00 1.05 -3.48 2.81 2.07 -1.88 -3.41 116.25 113.40 1ced h VAL 26 Ca -0.00 -2.03 -0.66 0.00 0.82 0.00 0.00 66.70 64.82 1ced h VAL 26 Cb 1.20 2.23 -0.39 0.00 -1.52 0.00 0.00 31.29 32.81 1ced h VAL 26 CO 0.04 0.36 -0.55 -0.63 0.02 0.00 0.00 177.57 176.80 1ced s ILE 27 N -2.25 2.97 0.31 4.57 1.01 -1.26 -5.03 121.20 121.52 1ced s ILE 27 Ca -0.22 -3.00 0.02 0.00 0.00 0.00 0.00 60.65 57.45 1ced s ILE 27 Cb 0.02 -3.02 0.42 0.00 0.01 0.00 0.00 42.46 39.89 1ced s ILE 27 CO 0.55 -0.79 1.57 -0.65 0.00 0.00 0.00 174.94 175.61 1ced h PRO 28 N 6.92 0.00 0.00 2.79 0.11 -1.81 0.02 132.00 140.03 1ced h PRO 28 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ced h PRO 28 Cb 0.94 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ced h PRO 28 CO 0.68 0.00 -0.46 0.38 -0.21 0.00 0.00 178.00 178.39 1ced h ASP 29 N 0.00 0.00 -0.55 -2.05 2.03 -1.96 -3.39 116.42 110.50 1ced h ASP 29 Ca 0.61 -0.12 -0.43 0.00 -0.73 0.00 0.00 57.03 56.36 1ced h ASP 29 Cb 1.25 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.64 1ced h ASP 29 CO -0.94 0.06 0.70 1.57 -1.03 0.00 0.00 179.24 179.60 1ced n HIS 30 N -2.28 1.18 -1.67 4.15 -0.00 -0.01 -4.93 115.22 111.67 1ced n HIS 30 Ca 0.04 -2.00 -0.30 0.00 0.46 0.00 0.00 57.72 55.92 1ced n HIS 30 Cb 0.45 -1.64 0.08 0.00 -0.12 0.00 0.00 29.99 28.76 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 -0.38 3.16 0.00 3.57 -4.23 -1.26 -4.58 115.64 111.92 1ced s THR 31 Ca 0.63 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 1ced s THR 31 Cb 0.31 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1ced s THR 31 CO -0.10 -0.49 1.15 0.18 -0.54 0.00 0.00 174.62 174.81 1ced n LEU 32 N -3.30 3.22 -4.81 4.79 4.77 -0.11 -4.31 117.00 117.24 1ced n LEU 32 Ca 0.07 -1.52 -0.34 0.00 -0.03 0.00 0.00 56.01 54.19 1ced n LEU 32 Cb 0.57 -0.62 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 1ced n LEU 32 CO 0.57 0.58 0.59 -1.10 -1.33 0.00 0.00 177.39 176.69 1ced s GLN 33 N 0.28 4.29 0.12 3.23 -1.52 -1.26 -4.67 119.66 120.13 1ced s GLN 33 Ca 0.00 1.07 -0.34 0.00 -1.95 0.00 0.00 55.36 54.15 1ced s GLN 33 Cb 0.00 -2.46 -0.12 0.00 -0.22 0.00 0.00 33.01 30.21 1ced s GLN 33 CO 0.00 0.13 1.55 -0.22 -0.25 0.00 0.00 175.29 176.50 1ced h LYS 34 N 2.46 -0.51 -0.90 2.91 3.64 -1.89 0.12 116.57 122.40 1ced h LYS 34 Ca -0.48 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.14 1ced h LYS 34 Cb 1.18 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 33.00 1ced h LYS 34 CO 0.63 -0.34 0.43 0.00 -2.27 0.00 0.00 179.45 177.91 1ced h ALA 35 N -0.22 1.45 0.03 5.00 0.00 -1.95 0.10 119.26 123.68 1ced h ALA 35 Ca 0.05 0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 1ced h ALA 35 Cb 0.65 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.56 1ced h ALA 35 CO -0.49 -0.27 -0.95 0.00 0.00 0.00 0.00 179.25 177.53 1ced h ALA 36 N 1.68 0.07 -0.22 0.00 0.00 -1.48 -0.34 119.26 118.96 1ced h ALA 36 Ca 0.55 -0.68 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ced h ALA 36 Cb 0.99 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1ced h ALA 36 CO -0.48 0.58 -0.29 0.82 0.00 0.00 0.00 179.25 179.87 1ced h ILE 37 N 0.19 0.31 -0.35 0.00 2.04 -0.36 0.78 117.51 120.13 1ced h ILE 37 Ca -0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1ced h ILE 37 Cb 1.64 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1ced h ILE 37 CO 0.19 0.00 0.13 -0.33 0.00 0.00 0.00 178.15 178.14 1ced h GLU 38 N -0.32 0.49 0.58 2.37 5.08 -0.18 0.25 114.58 122.86 1ced h GLU 38 Ca 0.12 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1ced h GLU 38 Cb 0.51 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1ced h GLU 38 CO -0.40 0.42 -0.28 1.96 -1.00 0.00 0.00 179.01 179.71 1ced h GLN 39 N 0.49 -0.75 0.12 2.33 1.08 -0.85 -3.42 115.11 114.11 1ced h GLN 39 Ca 0.12 0.05 -0.36 0.00 -1.45 0.00 0.00 58.65 57.02 1ced h GLN 39 Cb 0.11 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1ced h GLN 39 CO -0.01 -0.50 -1.93 0.74 -0.95 0.00 0.00 178.83 176.17 1ced h PHE 40 N -1.13 0.47 -2.14 2.96 0.04 -0.25 -3.45 116.94 113.45 1ced h PHE 40 Ca -0.08 -0.35 -0.55 0.00 2.80 0.00 0.00 57.97 59.80 1ced h PHE 40 Cb 0.60 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 1ced h PHE 40 CO 0.01 1.70 1.43 -1.17 -0.60 0.00 0.00 178.31 179.68 1ced s LEU 41 N -7.00 3.43 0.07 1.54 1.98 0.84 -4.89 118.68 114.65 1ced s LEU 41 Ca -0.20 1.28 -0.13 0.00 -2.89 0.00 0.00 54.13 52.20 1ced s LEU 41 Cb 0.07 -3.16 -0.03 0.00 0.66 0.00 0.00 46.19 43.73 1ced s LEU 41 CO 0.79 -2.13 0.73 -0.90 -1.89 0.00 0.00 176.35 172.95 1ced n ASP 42 N 12.25 -0.44 0.28 3.68 5.68 -1.26 -0.50 116.55 136.24 1ced n ASP 42 Ca 0.27 0.83 0.17 0.00 -0.50 0.00 0.00 54.79 55.57 1ced n ASP 42 Cb 0.49 -0.14 0.72 0.00 -1.14 0.00 0.00 41.12 41.04 1ced n ASP 42 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ced h GLY 43 N 0.00 0.00 0.00 6.12 0.00 -1.90 -3.50 103.07 103.80 1ced h GLY 43 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ced h GLY 43 CO -0.39 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.76 1ced n GLY 44 N -0.08 -2.63 3.15 4.60 0.00 0.35 -4.67 105.19 105.89 1ced n GLY 44 Ca 0.00 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.30 3.01 -3.84 1.61 7.35 -1.26 -4.60 117.46 119.43 1ced n PHE 45 Ca 0.00 -2.29 -0.11 0.00 -0.76 0.00 0.00 57.45 54.29 1ced n PHE 45 Cb 0.00 -2.28 -0.08 0.00 0.35 0.00 0.00 39.48 37.46 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 4.55 0.01 0.21 -2.13 2.20 -1.26 -5.05 114.94 113.47 1ced s ASN 46 Ca 0.55 -0.33 -0.09 0.00 -0.94 0.00 0.00 52.86 52.06 1ced s ASN 46 Cb 0.10 0.29 0.29 0.00 -2.00 0.00 0.00 41.25 39.93 1ced s ASN 46 CO 0.05 -0.54 1.75 0.40 -2.94 0.00 0.00 177.10 175.82 1ced h ILE 47 N 3.52 0.79 0.08 0.54 1.08 -1.96 -1.05 117.51 120.51 1ced h ILE 47 Ca -0.32 -0.16 0.01 0.00 -0.39 0.00 0.00 64.86 64.01 1ced h ILE 47 Cb 1.19 0.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.19 1ced h ILE 47 CO 0.47 0.08 -0.51 -0.33 -0.69 0.00 0.00 178.15 177.17 1ced h GLU 48 N 0.46 -0.68 -0.49 2.37 3.07 -1.96 0.16 114.58 117.51 1ced h GLU 48 Ca 0.32 0.05 0.10 0.00 -0.50 0.00 0.00 59.36 59.32 1ced h GLU 48 Cb 0.38 0.15 -0.09 0.00 -0.84 0.00 0.00 28.75 28.35 1ced h GLU 48 CO -0.29 -0.45 -0.13 0.00 -1.40 0.00 0.00 179.01 176.73 1ced h ALA 49 N -0.54 0.30 0.51 3.43 0.00 -1.74 0.13 119.26 121.36 1ced h ALA 49 Ca -0.00 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ced h ALA 49 Cb 0.72 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ced h ALA 49 CO -0.30 -0.45 -0.35 0.82 0.00 0.00 0.00 179.25 178.96 1ced h ILE 50 N -0.01 0.28 -0.37 0.00 1.08 -0.42 0.28 117.51 118.34 1ced h ILE 50 Ca 0.24 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.78 1ced h ILE 50 Cb 0.37 0.28 -0.07 0.00 -3.07 0.00 0.00 36.82 34.34 1ced h ILE 50 CO -0.51 0.00 -0.06 0.58 -0.69 0.00 0.00 178.15 177.47 1ced h VAL 51 N -0.83 0.66 -0.67 1.67 2.07 -0.32 -0.04 116.25 118.79 1ced h VAL 51 Ca -0.06 -0.01 0.14 0.00 0.82 0.00 0.00 66.70 67.59 1ced h VAL 51 Cb 0.69 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 1ced h VAL 51 CO 0.04 0.01 0.16 0.22 0.02 0.00 0.00 177.57 178.01 1ced h TYR 52 N 0.03 0.25 0.10 1.57 3.20 -0.56 0.28 116.97 121.84 1ced h TYR 52 Ca 0.18 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1ced h TYR 52 Cb 0.27 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1ced h TYR 52 CO -0.31 -0.05 -0.07 0.37 -1.64 0.00 0.00 178.16 176.46 1ced h GLN 53 N 0.28 -0.16 -0.22 1.82 5.75 0.81 0.34 115.11 123.72 1ced h GLN 53 Ca 0.37 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.90 1ced h GLN 53 Cb 0.58 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1ced h GLN 53 CO -0.45 -0.11 0.07 0.82 -2.65 0.00 0.00 178.83 176.51 1ced h ILE 54 N -0.17 0.94 0.00 2.39 5.03 0.21 0.39 117.51 126.31 1ced h ILE 54 Ca -0.01 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 1ced h ILE 54 Cb 0.15 0.75 0.00 0.00 -3.03 0.00 0.00 36.82 34.69 1ced h ILE 54 CO 0.00 0.03 0.00 -0.62 -0.68 0.00 0.00 178.15 176.88 1ced n GLU 55 N -5.04 0.00 -2.85 2.37 1.02 0.86 -0.73 120.64 116.27 1ced n GLU 55 Ca -0.02 0.57 -0.36 0.00 -0.02 0.00 0.00 57.16 57.33 1ced n GLU 55 Cb 0.08 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.07 1ced n GLU 55 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ced n ASN 56 N -2.03 6.04 -1.59 1.62 0.23 0.10 -0.55 115.26 119.07 1ced n ASN 56 Ca 0.00 -3.64 -0.19 0.00 -0.53 0.00 0.00 54.58 50.22 1ced n ASN 56 Cb 0.00 -0.94 -0.02 0.00 -2.08 0.00 0.00 39.78 36.74 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 0.12 -0.38 0.00 4.83 0.00 0.12 -4.75 105.19 105.13 1ced n GLY 57 Ca 0.38 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.44 3.35 0.00 1.61 4.76 -1.23 -4.49 118.16 122.60 1ced n LYS 58 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1ced n LYS 58 Cb 0.06 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 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 5.00 0.03 0.58 0.72 0.00 -1.26 -0.65 105.19 109.60 1ced n GLY 59 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.27 2.41 -2.90 4.61 0.00 -1.26 -5.05 120.51 118.59 1ced n ALA 60 Ca 0.00 -2.10 -0.35 0.00 0.00 0.00 0.00 53.44 50.98 1ced n ALA 60 Cb 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.35 3.83 0.19 0.00 0.00 0.17 -5.08 119.30 117.06 1ced s MET 61 Ca 0.22 -0.41 -0.31 0.00 0.00 0.00 0.00 55.69 55.19 1ced s MET 61 Cb 0.22 -3.27 -0.10 0.00 0.00 0.00 0.00 34.83 31.68 1ced s MET 61 CO -0.04 0.06 1.58 -1.25 0.00 0.00 0.00 175.02 175.38 1ced s PRO 62 N 0.95 4.20 0.45 4.11 0.04 -1.26 -3.55 135.00 139.93 1ced s PRO 62 Ca 0.04 2.40 -0.23 0.00 0.04 0.00 0.00 61.00 63.25 1ced s PRO 62 Cb -0.14 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.19 1ced s PRO 62 CO 0.03 -0.61 1.14 0.00 0.04 0.00 0.00 177.00 177.59 1ced s ALA 63 N 0.96 3.00 -0.78 8.56 0.00 -1.26 -4.50 121.76 127.75 1ced s ALA 63 Ca 0.69 0.88 0.09 0.00 0.00 0.00 0.00 51.96 53.62 1ced s ALA 63 Cb -0.45 -3.36 0.24 0.00 0.00 0.00 0.00 23.12 19.56 1ced s ALA 63 CO 0.33 -0.55 1.18 0.91 0.00 0.00 0.00 175.76 177.63 1ced n TRP 64 N -0.39 0.35 -1.70 0.00 7.02 0.29 -4.85 117.44 118.16 1ced n TRP 64 Ca 0.07 -0.47 -0.59 0.00 -1.02 0.00 0.00 57.50 55.49 1ced n TRP 64 Cb 0.48 -0.03 -0.08 0.00 -2.42 0.00 0.00 31.31 29.27 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 0.34 2.24 -0.74 -0.99 5.75 -0.58 -0.93 116.55 121.64 1ced n ASP 65 Ca 0.09 1.06 -0.10 0.00 -0.01 0.00 0.00 54.79 55.83 1ced n ASP 65 Cb 0.38 -1.11 -0.04 0.00 -1.03 0.00 0.00 41.12 39.32 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 4.33 0.94 0.13 6.12 0.00 -1.26 -4.78 105.19 110.67 1ced n GLY 66 Ca 0.28 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.83 0.60 -3.83 1.61 1.74 -0.11 -4.93 116.66 110.91 1ced n ARG 67 Ca -0.10 0.15 -0.29 0.00 -0.77 0.00 0.00 57.85 56.85 1ced n ARG 67 Cb 0.55 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 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 -6.50 4.31 0.94 0.55 1.43 -1.14 -5.12 118.68 113.15 1ced s LEU 68 Ca -0.33 0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 1ced s LEU 68 Cb 0.09 -3.05 0.17 0.00 0.03 0.00 0.00 46.19 43.42 1ced s LEU 68 CO 0.55 0.06 1.21 -0.62 0.23 0.00 0.00 176.35 177.78 1ced s ASP 69 N -2.88 3.25 0.07 2.29 2.15 -1.26 -4.76 116.67 115.53 1ced s ASP 69 Ca 0.37 0.64 -0.27 0.00 0.43 0.00 0.00 52.55 53.72 1ced s ASP 69 Cb -0.12 -0.97 -0.17 0.00 -0.30 0.00 0.00 42.92 41.36 1ced s ASP 69 CO 0.28 -2.68 1.62 -0.08 -0.17 0.00 0.00 175.17 174.14 1ced h GLU 70 N -1.60 -0.37 -0.04 4.34 4.81 -2.00 0.13 114.58 119.87 1ced h GLU 70 Ca -0.47 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1ced h GLU 70 Cb 1.29 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 1ced h GLU 70 CO 0.51 -0.20 0.02 0.22 -0.73 0.00 0.00 179.01 178.83 1ced h ASP 71 N -0.44 0.05 -0.03 1.04 3.58 -1.98 -0.53 116.42 118.11 1ced h ASP 71 Ca -0.04 -0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.36 1ced h ASP 71 Cb 0.33 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.32 1ced h ASP 71 CO 0.06 0.10 -0.51 -0.08 -2.88 0.00 0.00 179.24 175.93 1ced h GLU 72 N -0.01 -0.60 -0.45 0.28 4.81 -1.90 0.40 114.58 117.10 1ced h GLU 72 Ca 0.01 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1ced h GLU 72 Cb 0.07 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 29.49 1ced h GLU 72 CO -0.00 -0.40 -0.45 0.82 -0.73 0.00 0.00 179.01 178.25 1ced h ILE 73 N -0.62 0.09 -0.96 2.32 1.08 -0.65 0.41 117.51 119.18 1ced h ILE 73 Ca 0.01 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.57 1ced h ILE 73 Cb 0.68 0.09 -0.07 0.00 -3.07 0.00 0.00 36.82 34.44 1ced h ILE 73 CO -0.36 0.00 0.62 0.00 -0.69 0.00 0.00 178.15 177.72 1ced h ALA 74 N 0.40 1.49 -0.07 1.87 0.00 -0.43 -0.82 119.26 121.71 1ced h ALA 74 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ced h ALA 74 Cb 0.58 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ced h ALA 74 CO -0.61 0.34 -0.21 0.78 0.00 0.00 0.00 179.25 179.54 1ced h GLY 75 N 1.06 0.29 0.99 0.00 0.00 0.93 0.09 103.07 106.42 1ced h GLY 75 Ca 0.43 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1ced h GLY 75 CO -0.18 0.33 0.18 -0.24 0.00 0.00 0.00 176.54 176.63 1ced h VAL 76 N -0.24 1.23 0.57 4.60 3.04 -0.77 0.27 116.25 124.96 1ced h VAL 76 Ca -0.01 -0.78 -0.02 0.00 -1.01 0.00 0.00 66.70 64.88 1ced h VAL 76 Cb 0.84 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 1ced h VAL 76 CO 0.05 0.29 -0.43 0.00 -1.01 0.00 0.00 177.57 176.47 1ced h ALA 77 N 1.04 -1.02 -0.83 3.17 0.00 -1.12 -1.62 119.26 118.88 1ced h ALA 77 Ca 0.18 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1ced h ALA 77 Cb 0.27 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1ced h ALA 77 CO -0.01 -1.10 0.54 0.00 0.00 0.00 0.00 179.25 178.68 1ced h ALA 78 N -0.71 1.74 0.75 0.00 0.00 -0.76 0.76 119.26 121.03 1ced h ALA 78 Ca -0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ced h ALA 78 Cb 0.81 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ced h ALA 78 CO 0.02 0.09 -0.39 -0.92 0.00 0.00 0.00 179.25 178.05 1ced h TYR 79 N 0.76 -1.02 -0.75 0.00 3.20 -0.28 0.46 116.97 119.34 1ced h TYR 79 Ca 0.39 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.40 1ced h TYR 79 Cb 0.47 0.35 -0.11 0.00 1.54 0.00 0.00 36.73 38.97 1ced h TYR 79 CO -0.00 -0.61 0.18 0.28 -1.64 0.00 0.00 178.16 176.36 1ced h VAL 80 N -1.04 0.50 0.11 1.81 2.07 -0.92 0.68 116.25 119.45 1ced h VAL 80 Ca -0.10 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1ced h VAL 80 Cb 0.81 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1ced h VAL 80 CO 0.15 0.05 -0.16 0.22 0.02 0.00 0.00 177.57 177.84 1ced h TYR 81 N 0.26 -0.43 0.05 1.57 3.20 -0.63 0.13 116.97 121.12 1ced h TYR 81 Ca 0.42 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.30 1ced h TYR 81 Cb 0.73 0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1ced h TYR 81 CO -0.27 -0.24 -0.02 0.22 -1.64 0.00 0.00 178.16 176.21 1ced h ASP 82 N -0.33 -0.05 -0.56 -2.11 1.82 0.05 0.25 116.42 115.48 1ced h ASP 82 Ca 0.02 -0.12 0.10 0.00 -0.39 0.00 0.00 57.03 56.63 1ced h ASP 82 Cb 0.34 0.01 -0.08 0.00 0.68 0.00 0.00 39.33 40.28 1ced h ASP 82 CO -0.08 0.09 0.13 -0.61 -1.61 0.00 0.00 179.24 177.16 1ced h GLN 83 N -0.20 0.26 0.12 0.28 5.75 -0.85 -0.55 115.11 119.91 1ced h GLN 83 Ca -0.01 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1ced h GLN 83 Cb 0.17 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.67 1ced h GLN 83 CO 0.01 0.17 -0.06 0.00 -2.65 0.00 0.00 178.83 176.30 1ced h ALA 84 N 1.44 -0.16 -0.51 3.38 0.00 -0.62 0.46 119.26 123.25 1ced h ALA 84 Ca 0.29 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1ced h ALA 84 Cb 0.41 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1ced h ALA 84 CO -0.36 -0.26 -0.00 0.00 0.00 0.00 0.00 179.25 178.62 1ced h ALA 85 N -0.14 0.48 0.00 0.00 0.00 -0.31 0.11 119.26 119.39 1ced h ALA 85 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ced h ALA 85 Cb 0.56 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ced h ALA 85 CO 0.03 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.30 1ced n GLY 86 N -1.32 -0.98 4.04 0.00 0.00 -0.23 -4.91 105.19 101.79 1ced n GLY 86 Ca 0.06 -0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.13 -4.27 -0.61 1.61 5.15 0.37 -4.89 115.26 111.48 1ced n ASN 87 Ca 0.16 -1.27 0.12 0.00 -0.60 0.00 0.00 54.58 52.99 1ced n ASN 87 Cb 0.15 -1.83 0.40 0.00 -0.53 0.00 0.00 39.78 37.97 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 -4.96 1.82 0.00 1.20 4.01 0.15 -5.04 118.16 115.34 1ced n LYS 88 Ca -0.11 -1.22 0.03 0.00 -0.51 0.00 0.00 58.31 56.51 1ced n LYS 88 Cb 0.57 -1.45 0.20 0.00 -0.51 0.00 0.00 35.03 33.84 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20