#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 -1.76 0.62 0.00 -1.26 -4.78 120.51 113.33 1ced n ALA 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1ced n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 7.44 0.14 0.00 2.15 -1.26 -4.70 116.67 120.44 1ced s ASP 3 Ca 0.00 2.12 -0.03 0.00 0.43 0.00 0.00 52.55 55.07 1ced s ASP 3 Cb 0.00 -2.62 -0.06 0.00 -0.30 0.00 0.00 42.92 39.94 1ced s ASP 3 CO 0.00 -0.01 1.34 -0.07 -0.17 0.00 0.00 175.17 176.26 1ced h LEU 4 N 4.00 0.50 -0.09 -1.34 3.38 -1.96 -0.21 115.31 119.59 1ced h LEU 4 Ca -0.46 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.01 1ced h LEU 4 Cb 1.21 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ced h LEU 4 CO 0.67 1.17 -0.38 0.00 0.09 0.00 0.00 178.44 180.00 1ced h ALA 5 N 0.80 0.17 -0.16 1.53 0.00 -1.93 0.29 119.26 119.96 1ced h ALA 5 Ca -0.07 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.43 1ced h ALA 5 Cb 1.51 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 1ced h ALA 5 CO 0.15 0.27 -0.16 1.25 0.00 0.00 0.00 179.25 180.76 1ced h LEU 6 N -0.02 -0.49 -0.70 0.00 5.85 -1.96 0.11 115.31 118.10 1ced h LEU 6 Ca -0.02 0.09 0.15 0.00 0.84 0.00 0.00 57.88 58.94 1ced h LEU 6 Cb 1.02 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 42.17 1ced h LEU 6 CO 0.08 -0.20 -0.01 1.23 -0.34 0.00 0.00 178.44 179.20 1ced h GLY 7 N -0.18 0.74 0.99 3.75 0.00 -0.82 0.10 103.07 107.66 1ced h GLY 7 Ca 0.10 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1ced h GLY 7 CO -0.27 -0.25 -0.31 1.70 0.00 0.00 0.00 176.54 177.41 1ced h LYS 8 N 0.10 -0.83 -0.73 4.80 3.64 0.23 0.80 116.57 124.57 1ced h LYS 8 Ca 0.37 0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.97 1ced h LYS 8 Cb 0.63 0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 32.52 1ced h LYS 8 CO -0.62 -0.55 0.15 0.00 -2.27 0.00 0.00 179.45 176.16 1ced h ALA 9 N -0.52 0.92 0.61 5.00 0.00 0.13 0.24 119.26 125.63 1ced h ALA 9 Ca -0.09 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ced h ALA 9 Cb 0.67 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ced h ALA 9 CO 0.15 -0.36 -0.35 0.28 0.00 0.00 0.00 179.25 178.97 1ced h VAL 10 N 0.23 0.29 -0.27 0.00 2.07 -0.72 -2.72 116.25 115.13 1ced h VAL 10 Ca 0.41 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.97 1ced h VAL 10 Cb 0.71 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1ced h VAL 10 CO -0.54 0.00 -0.47 0.15 0.02 0.00 0.00 177.57 176.74 1ced h PHE 11 N -0.90 -1.42 -0.95 1.57 3.57 0.11 0.23 116.94 119.16 1ced h PHE 11 Ca -0.08 0.06 0.28 0.00 3.53 0.00 0.00 57.97 61.77 1ced h PHE 11 Cb 0.72 0.65 -0.15 0.00 2.79 0.00 0.00 35.95 39.96 1ced h PHE 11 CO -0.08 -0.43 0.39 -0.44 -2.23 0.00 0.00 178.31 175.52 1ced h ASP 12 N -0.38 0.22 0.12 0.41 5.19 -0.68 0.13 116.42 121.43 1ced h ASP 12 Ca 0.05 0.20 -0.28 0.00 -0.62 0.00 0.00 57.03 56.38 1ced h ASP 12 Cb 0.52 0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.25 1ced h ASP 12 CO -0.46 -0.17 -1.45 1.23 -3.12 0.00 0.00 179.24 175.27 1ced h GLY 13 N 0.24 0.29 0.00 2.75 0.00 -0.91 -3.40 103.07 102.04 1ced h GLY 13 Ca 0.65 -0.75 -0.31 0.00 0.00 0.00 0.00 47.33 46.92 1ced h GLY 13 CO -0.65 0.66 -2.16 0.70 0.00 0.00 0.00 176.54 175.09 1ced n ASN 14 N -3.88 1.93 -0.10 0.19 3.02 0.71 -4.61 115.26 112.52 1ced n ASN 14 Ca -0.25 -0.07 -0.19 0.00 -0.03 0.00 0.00 54.58 54.04 1ced n ASN 14 Cb 0.92 0.08 -0.08 0.00 -0.61 0.00 0.00 39.78 40.09 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 -0.48 2.78 -0.94 0.00 0.00 -1.21 0.11 119.26 119.54 1ced h ALA 16 Ca -0.48 -0.00 0.26 0.00 0.00 0.00 0.00 54.91 54.69 1ced h ALA 16 Cb 1.51 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 19.19 1ced h ALA 16 CO -0.23 -1.14 0.04 0.00 0.00 0.00 0.00 179.25 177.92 1ced n ALA 17 N -2.66 0.50 -0.06 0.00 0.00 -1.26 -0.23 120.51 116.80 1ced n ALA 17 Ca 0.25 1.00 -0.04 0.00 0.00 0.00 0.00 53.44 54.65 1ced n ALA 17 Cb 1.09 -0.74 -0.11 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.42 1.05 -1.65 0.00 8.25 0.15 0.04 115.22 120.64 1ced n HIS 19 Ca -0.19 -1.76 -0.58 0.00 -0.26 0.00 0.00 57.72 54.93 1ced n HIS 19 Cb 0.84 -0.37 -0.07 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.01 -1.13 -2.45 -1.41 0.00 0.68 0.44 120.51 115.62 1ced n ALA 20 Ca 0.30 0.48 -0.20 0.00 0.00 0.00 0.00 53.44 54.02 1ced n ALA 20 Cb 0.84 -2.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 3.28 -0.45 2.44 0.00 0.00 -1.26 -0.39 105.19 108.81 1ced n GLY 21 Ca 0.24 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.08 1.46 3.30 -0.02 0.00 0.17 -4.88 105.19 104.14 1ced n GLY 22 Ca -0.22 -0.31 -0.46 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.81 2.46 -0.26 -0.02 0.00 0.47 -0.44 107.32 106.72 1ced s GLY 23 Ca 0.00 -3.06 -0.37 0.00 0.00 0.00 0.00 44.72 41.28 1ced s GLY 23 CO 0.00 1.23 1.92 -2.01 0.00 0.00 0.00 173.10 174.23 1ced n ASN 24 N 4.35 2.53 0.03 1.64 2.85 -1.25 -3.74 115.26 121.68 1ced n ASN 24 Ca 0.05 0.85 0.12 0.00 -0.11 0.00 0.00 54.58 55.48 1ced n ASN 24 Cb 0.44 -1.22 0.24 0.00 1.24 0.00 0.00 39.78 40.48 1ced n ASN 24 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ced n ASN 25 N 7.06 0.57 -0.05 1.20 3.02 0.11 -4.19 115.26 122.97 1ced n ASN 25 Ca 0.31 0.02 -0.06 0.00 -0.03 0.00 0.00 54.58 54.81 1ced n ASN 25 Cb 0.19 0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 1ced n ASN 25 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ced n VAL 26 N -1.84 1.11 -3.52 2.41 0.31 -1.26 -4.76 118.33 110.77 1ced n VAL 26 Ca 0.04 0.24 -0.42 0.00 -0.01 0.00 0.00 64.34 64.20 1ced n VAL 26 Cb 0.39 -2.05 -0.06 0.00 -0.91 0.00 0.00 33.84 31.21 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 -2.36 4.61 0.39 2.52 1.01 -1.26 -4.99 121.20 121.12 1ced s ILE 27 Ca -0.19 -2.56 0.07 0.00 0.00 0.00 0.00 60.65 57.96 1ced s ILE 27 Cb 0.03 -3.93 0.28 0.00 0.01 0.00 0.00 42.46 38.85 1ced s ILE 27 CO 0.28 -0.93 2.01 1.55 0.00 0.00 0.00 174.94 177.86 1ced h PRO 28 N 7.58 0.61 0.00 2.79 0.13 -1.86 -0.75 132.00 140.49 1ced h PRO 28 Ca 0.00 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1ced h PRO 28 Cb 1.01 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1ced h PRO 28 CO 0.76 0.40 -0.35 0.22 -0.23 0.00 0.00 178.00 178.80 1ced h ASP 29 N 0.63 0.00 -0.52 1.44 3.58 -1.94 -3.38 116.42 116.23 1ced h ASP 29 Ca 0.22 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.11 1ced h ASP 29 Cb 0.11 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.09 1ced h ASP 29 CO -0.06 0.35 2.03 1.57 -2.88 0.00 0.00 179.24 180.25 1ced n HIS 30 N -3.25 1.86 -1.55 0.28 -0.00 -0.29 -4.93 115.22 107.33 1ced n HIS 30 Ca 0.02 -2.51 -0.30 0.00 0.46 0.00 0.00 57.72 55.39 1ced n HIS 30 Cb 0.62 -1.94 0.09 0.00 -0.12 0.00 0.00 29.99 28.64 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 0.23 3.04 -0.90 3.57 -4.23 -1.26 -4.63 115.64 111.47 1ced s THR 31 Ca 0.63 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.49 1ced s THR 31 Cb 0.24 -3.08 0.07 0.00 1.34 0.00 0.00 72.50 71.07 1ced s THR 31 CO -0.09 -0.44 0.63 0.18 -0.54 0.00 0.00 174.62 174.36 1ced n LEU 32 N -3.44 1.48 -4.76 4.79 4.77 0.41 -4.19 117.00 116.06 1ced n LEU 32 Ca 0.07 -0.75 -0.32 0.00 -0.03 0.00 0.00 56.01 54.99 1ced n LEU 32 Cb 0.56 -0.52 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1ced n LEU 32 CO 0.56 0.29 0.72 -1.10 -1.33 0.00 0.00 177.39 176.54 1ced s GLN 33 N -1.11 2.34 0.08 3.23 -1.52 -1.26 -4.70 119.66 116.73 1ced s GLN 33 Ca 0.05 1.31 -0.35 0.00 -1.95 0.00 0.00 55.36 54.41 1ced s GLN 33 Cb 0.03 -1.90 -0.17 0.00 -0.22 0.00 0.00 33.01 30.76 1ced s GLN 33 CO 0.01 -1.59 1.57 -0.22 -0.25 0.00 0.00 175.29 174.81 1ced h LYS 34 N -0.74 -0.97 -0.71 2.91 3.64 -1.90 -0.13 116.57 118.66 1ced h LYS 34 Ca -0.45 0.07 0.15 0.00 -1.27 0.00 0.00 60.65 59.15 1ced h LYS 34 Cb 1.24 0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 33.18 1ced h LYS 34 CO 0.51 -0.65 0.17 0.00 -2.27 0.00 0.00 179.45 177.22 1ced h ALA 35 N -0.83 0.91 -0.54 5.00 0.00 -1.92 0.11 119.26 121.99 1ced h ALA 35 Ca -0.06 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1ced h ALA 35 Cb 0.87 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1ced h ALA 35 CO -0.03 -0.32 0.02 0.00 0.00 0.00 0.00 179.25 178.91 1ced h ALA 36 N 1.59 0.73 0.57 0.00 0.00 -1.63 0.43 119.26 120.95 1ced h ALA 36 Ca 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ced h ALA 36 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ced h ALA 36 CO -0.49 0.53 -0.36 0.82 0.00 0.00 0.00 179.25 179.76 1ced h ILE 37 N 0.82 0.27 -0.81 0.00 2.04 -0.26 0.18 117.51 119.75 1ced h ILE 37 Ca 0.16 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.07 1ced h ILE 37 Cb 0.51 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1ced h ILE 37 CO 0.02 0.00 0.53 -0.33 0.00 0.00 0.00 178.15 178.37 1ced h GLU 38 N -0.88 0.90 0.24 2.37 5.08 -0.33 -0.67 114.58 121.29 1ced h GLU 38 Ca -0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1ced h GLU 38 Cb 0.72 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ced h GLU 38 CO 0.07 0.60 -0.12 1.96 -1.00 0.00 0.00 179.01 180.52 1ced h GLN 39 N 0.93 -0.31 0.11 2.33 1.08 -0.90 -3.43 115.11 114.93 1ced h GLN 39 Ca 0.34 0.02 -0.27 0.00 -1.45 0.00 0.00 58.65 57.29 1ced h GLN 39 Cb 0.15 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1ced h GLN 39 CO -0.11 -0.21 -1.25 0.74 -0.95 0.00 0.00 178.83 177.05 1ced h PHE 40 N -0.88 0.41 -2.03 2.96 0.04 -0.45 -3.45 116.94 113.56 1ced h PHE 40 Ca -0.03 -0.30 -0.58 0.00 2.80 0.00 0.00 57.97 59.86 1ced h PHE 40 Cb 0.25 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1ced h PHE 40 CO 0.01 1.25 1.41 -0.11 -0.60 0.00 0.00 178.31 180.27 1ced n LEU 41 N -3.49 3.44 -3.63 1.54 -0.00 -0.27 -4.84 117.00 109.74 1ced n LEU 41 Ca -0.08 0.42 -0.43 0.00 -0.00 0.00 0.00 56.01 55.92 1ced n LEU 41 Cb 1.02 -1.53 -0.09 0.00 -0.00 0.00 0.00 43.42 42.82 1ced n LEU 41 CO 0.52 -0.44 1.73 -0.90 -0.00 0.00 0.00 177.39 178.31 1ced n ASP 42 N 10.36 1.72 0.00 1.96 5.75 -1.26 -0.49 116.55 134.58 1ced n ASP 42 Ca 0.28 -2.58 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 1ced n ASP 42 Cb 0.42 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 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 4.87 0.49 0.00 6.12 0.00 -1.26 -5.02 105.19 110.39 1ced n GLY 43 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.97 3.33 -0.02 0.00 0.35 -4.55 105.19 103.33 1ced n GLY 44 Ca 0.00 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.95 3.07 -4.16 1.61 7.35 -1.26 -4.66 117.46 118.46 1ced n PHE 45 Ca 0.00 -2.09 -0.16 0.00 -0.76 0.00 0.00 57.45 54.44 1ced n PHE 45 Cb 0.00 -2.37 -0.12 0.00 0.35 0.00 0.00 39.48 37.33 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 5.09 1.08 0.05 -2.13 0.01 -1.26 -5.06 114.94 112.71 1ced s ASN 46 Ca 0.59 -0.45 -0.25 0.00 -0.71 0.00 0.00 52.86 52.04 1ced s ASN 46 Cb 0.07 -0.02 -0.17 0.00 0.41 0.00 0.00 41.25 41.53 1ced s ASN 46 CO 0.09 -0.09 1.53 0.40 -1.51 0.00 0.00 177.10 177.52 1ced h ILE 47 N 4.57 0.95 -0.80 0.60 1.08 -1.97 0.16 117.51 122.10 1ced h ILE 47 Ca -0.35 -0.36 0.10 0.00 -0.39 0.00 0.00 64.86 63.85 1ced h ILE 47 Cb 1.19 1.18 -0.12 0.00 -3.07 0.00 0.00 36.82 36.00 1ced h ILE 47 CO 0.43 0.09 -0.50 -0.33 -0.69 0.00 0.00 178.15 177.15 1ced h GLU 48 N -0.36 -0.11 -0.49 2.37 3.07 -1.97 0.17 114.58 117.25 1ced h GLU 48 Ca -0.02 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.93 1ced h GLU 48 Cb 0.29 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.16 1ced h GLU 48 CO 0.03 -0.08 0.13 0.00 -1.40 0.00 0.00 179.01 177.69 1ced h ALA 49 N 0.64 0.57 0.78 3.43 0.00 -1.74 0.75 119.26 123.69 1ced h ALA 49 Ca 0.19 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1ced h ALA 49 Cb 0.52 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ced h ALA 49 CO -0.83 -0.28 -0.43 0.82 0.00 0.00 0.00 179.25 178.53 1ced h ILE 50 N 0.28 0.13 -0.49 0.00 1.08 0.30 -2.91 117.51 115.89 1ced h ILE 50 Ca 0.24 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.81 1ced h ILE 50 Cb 0.30 0.13 -0.09 0.00 -3.07 0.00 0.00 36.82 34.08 1ced h ILE 50 CO -0.29 0.00 -0.14 0.58 -0.69 0.00 0.00 178.15 177.61 1ced h VAL 51 N -1.12 0.48 -0.88 1.67 2.07 -0.23 0.57 116.25 118.81 1ced h VAL 51 Ca -0.10 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.63 1ced h VAL 51 Cb 0.88 0.48 -0.16 0.00 -1.52 0.00 0.00 31.29 30.98 1ced h VAL 51 CO 0.14 0.00 -0.02 0.22 0.02 0.00 0.00 177.57 177.92 1ced h TYR 52 N -0.02 -0.12 0.57 1.57 3.20 -0.86 0.22 116.97 121.53 1ced h TYR 52 Ca 0.24 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 1ced h TYR 52 Cb 0.38 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1ced h TYR 52 CO -0.43 -0.34 -0.29 0.37 -1.64 0.00 0.00 178.16 175.83 1ced h GLN 53 N 0.05 -0.76 -0.20 1.82 5.75 -0.69 -1.51 115.11 119.57 1ced h GLN 53 Ca 0.49 0.05 0.02 0.00 -0.15 0.00 0.00 58.65 59.07 1ced h GLN 53 Cb 0.91 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 1ced h GLN 53 CO -0.81 -0.51 0.05 0.82 -2.65 0.00 0.00 178.83 175.73 1ced h ILE 54 N -0.79 0.92 -0.01 2.39 5.03 -0.74 -0.12 117.51 124.20 1ced h ILE 54 Ca -0.08 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.62 1ced h ILE 54 Cb 0.61 0.78 -0.01 0.00 -3.03 0.00 0.00 36.82 35.17 1ced h ILE 54 CO 0.12 0.02 -0.06 -0.33 -0.68 0.00 0.00 178.15 177.22 1ced h GLU 55 N 0.13 -0.07 0.00 2.37 5.08 -0.64 0.97 114.58 122.42 1ced h GLU 55 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1ced h GLU 55 Cb 0.07 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1ced h GLU 55 CO -0.11 -0.05 -1.24 0.09 -1.00 0.00 0.00 179.01 176.70 1ced n ASN 56 N -2.89 0.80 -0.05 1.42 3.02 -0.57 -1.00 115.26 115.98 1ced n ASN 56 Ca -0.01 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1ced n ASN 56 Cb 0.05 0.43 -0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1ced n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ced n GLY 57 N 1.28 -2.71 0.00 7.41 0.00 -0.08 -4.40 105.19 106.69 1ced n GLY 57 Ca -0.05 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1ced n GLY 57 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ced n LYS 58 N -1.90 0.00 -1.60 1.61 3.00 0.28 -4.87 118.16 114.69 1ced n LYS 58 Ca -0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 58.31 57.82 1ced n LYS 58 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.00 1ced n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ced n GLY 59 N 0.00 1.07 4.04 3.14 0.00 -1.26 -0.92 105.19 111.26 1ced n GLY 59 Ca 0.00 0.87 -0.34 0.00 0.00 0.00 0.00 46.02 46.55 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 8.58 -1.08 -3.92 4.61 0.00 -1.26 -4.94 120.51 122.50 1ced n ALA 60 Ca 0.30 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 1ced n ALA 60 Cb 0.30 -2.07 -0.16 0.00 0.00 0.00 0.00 19.45 17.51 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 -6.43 1.62 0.51 0.00 0.00 -0.10 -5.01 119.30 109.89 1ced s MET 61 Ca 0.67 -0.59 -0.22 0.00 0.00 0.00 0.00 55.69 55.56 1ced s MET 61 Cb -0.39 -2.09 -0.06 0.00 0.00 0.00 0.00 34.83 32.28 1ced s MET 61 CO 0.83 -0.42 1.20 -1.25 0.00 0.00 0.00 175.02 175.38 1ced s PRO 62 N 1.57 3.48 0.69 4.11 0.04 -1.26 -0.56 135.00 143.08 1ced s PRO 62 Ca 0.01 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 1ced s PRO 62 Cb -0.15 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.15 1ced s PRO 62 CO -0.08 -0.80 1.17 0.00 0.04 0.00 0.00 177.00 177.33 1ced s ALA 63 N -1.54 2.28 0.00 8.56 0.00 -1.26 -4.46 121.76 125.34 1ced s ALA 63 Ca 0.68 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1ced s ALA 63 Cb -0.30 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1ced s ALA 63 CO 0.36 -1.59 0.35 0.91 0.00 0.00 0.00 175.76 175.79 1ced n TRP 64 N -2.51 0.00 -1.61 0.00 7.02 0.34 -4.90 117.44 115.78 1ced n TRP 64 Ca 0.12 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.17 1ced n TRP 64 Cb 0.51 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.39 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 -0.13 1.40 0.00 -0.99 2.03 -0.17 -1.18 116.55 117.52 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 0.04 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.11 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 1.17 0.44 0.13 0.27 0.00 -1.26 -4.66 105.19 101.28 1ced n GLY 66 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.84 0.68 -4.04 1.61 1.74 -0.32 -4.92 116.66 109.57 1ced n ARG 67 Ca 0.00 0.31 -0.30 0.00 -0.77 0.00 0.00 57.85 57.10 1ced n ARG 67 Cb 0.00 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 29.72 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 -7.19 3.87 0.00 0.55 1.43 -0.79 -5.14 118.68 111.42 1ced s LEU 68 Ca -0.28 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1ced s LEU 68 Cb 0.08 -2.53 0.09 0.00 0.03 0.00 0.00 46.19 43.85 1ced s LEU 68 CO 0.67 0.15 0.54 -0.67 0.23 0.00 0.00 176.35 177.27 1ced n ASP 69 N 0.30 0.23 0.30 2.29 -0.08 -1.26 -4.75 116.55 113.57 1ced n ASP 69 Ca -0.08 -1.31 -0.12 0.00 -1.51 0.00 0.00 54.79 51.77 1ced n ASP 69 Cb 0.52 -0.39 -0.06 0.00 2.34 0.00 0.00 41.12 43.53 1ced n ASP 69 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1ced h GLU 70 N 0.00 -0.74 -0.61 -0.67 4.22 -2.00 0.11 114.58 114.88 1ced h GLU 70 Ca -0.18 0.05 -0.09 0.00 0.08 0.00 0.00 59.36 59.23 1ced h GLU 70 Cb 0.53 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1ced h GLU 70 CO 0.14 -0.50 0.05 0.22 -2.18 0.00 0.00 179.01 176.74 1ced h ASP 71 N -0.77 1.00 0.16 1.04 1.82 -1.96 0.58 116.42 118.30 1ced h ASP 71 Ca -0.08 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 1ced h ASP 71 Cb 0.60 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.31 1ced h ASP 71 CO 0.11 1.03 -0.39 -0.08 -1.61 0.00 0.00 179.24 178.31 1ced h GLU 72 N 0.96 -0.58 0.00 0.28 4.81 -1.92 0.79 114.58 118.92 1ced h GLU 72 Ca 0.18 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1ced h GLU 72 Cb 0.49 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 1ced h GLU 72 CO 0.02 -0.39 -0.51 0.82 -0.73 0.00 0.00 179.01 178.23 1ced h ILE 73 N -0.60 0.04 0.00 2.32 1.08 -0.50 0.78 117.51 120.63 1ced h ILE 73 Ca -0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 1ced h ILE 73 Cb 0.58 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.37 1ced h ILE 73 CO -0.17 0.00 -0.09 0.00 -0.69 0.00 0.00 178.15 177.20 1ced h ALA 74 N -0.32 1.83 0.10 1.87 0.00 -0.71 -1.54 119.26 120.49 1ced h ALA 74 Ca 0.02 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1ced h ALA 74 Cb 0.71 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1ced h ALA 74 CO -0.35 0.11 -0.64 0.78 0.00 0.00 0.00 179.25 179.15 1ced h GLY 75 N 0.27 0.30 1.00 0.00 0.00 0.12 0.28 103.07 105.04 1ced h GLY 75 Ca -0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 1ced h GLY 75 CO 0.01 0.63 0.32 -0.24 0.00 0.00 0.00 176.54 177.26 1ced h VAL 76 N -0.44 1.22 0.42 4.60 3.04 -0.64 0.32 116.25 124.78 1ced h VAL 76 Ca -0.11 -0.63 -0.01 0.00 -1.01 0.00 0.00 66.70 64.94 1ced h VAL 76 Cb 1.48 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 1ced h VAL 76 CO 0.12 0.26 -0.30 0.00 -1.01 0.00 0.00 177.57 176.64 1ced h ALA 77 N 1.15 -0.71 -0.99 3.17 0.00 -1.29 -0.51 119.26 120.08 1ced h ALA 77 Ca 0.23 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1ced h ALA 77 Cb 0.11 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1ced h ALA 77 CO -0.03 -0.92 0.63 0.00 0.00 0.00 0.00 179.25 178.93 1ced h ALA 78 N -0.20 1.45 0.36 0.00 0.00 -0.58 0.15 119.26 120.43 1ced h ALA 78 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ced h ALA 78 Cb 0.60 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ced h ALA 78 CO 0.02 0.30 -0.17 -0.92 0.00 0.00 0.00 179.25 178.47 1ced h TYR 79 N 1.05 -0.44 -0.78 0.00 3.20 -0.22 0.94 116.97 120.72 1ced h TYR 79 Ca 0.47 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.51 1ced h TYR 79 Cb 0.36 0.15 -0.12 0.00 1.54 0.00 0.00 36.73 38.66 1ced h TYR 79 CO -0.01 -0.15 0.15 0.28 -1.64 0.00 0.00 178.16 176.79 1ced h VAL 80 N -0.71 0.42 0.45 1.81 2.07 -0.79 0.19 116.25 119.69 1ced h VAL 80 Ca -0.05 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1ced h VAL 80 Cb 0.49 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1ced h VAL 80 CO 0.08 0.04 -0.37 0.22 0.02 0.00 0.00 177.57 177.56 1ced h TYR 81 N 0.21 -1.00 0.20 1.57 5.03 -0.20 0.12 116.97 122.89 1ced h TYR 81 Ca 0.45 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.77 1ced h TYR 81 Cb 0.82 0.38 -0.04 0.00 1.55 0.00 0.00 36.73 39.43 1ced h TYR 81 CO -0.31 -0.53 -0.45 0.22 -1.32 0.00 0.00 178.16 175.77 1ced h ASP 82 N -0.82 -1.30 -0.85 -2.11 3.58 -0.10 0.42 116.42 115.24 1ced h ASP 82 Ca -0.04 0.13 0.17 0.00 0.42 0.00 0.00 57.03 57.71 1ced h ASP 82 Cb 0.71 0.47 -0.10 0.00 1.72 0.00 0.00 39.33 42.13 1ced h ASP 82 CO -0.01 -0.53 0.40 -0.61 -2.88 0.00 0.00 179.24 175.60 1ced h GLN 83 N -0.73 0.50 0.12 0.28 5.75 -0.56 -0.84 115.11 119.62 1ced h GLN 83 Ca 0.00 -0.03 -0.28 0.00 -0.15 0.00 0.00 58.65 58.19 1ced h GLN 83 Cb 0.72 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 1ced h GLN 83 CO -0.21 0.33 -1.33 0.00 -2.65 0.00 0.00 178.83 174.97 1ced h ALA 84 N 1.61 0.17 -0.18 3.38 0.00 -0.57 0.13 119.26 123.80 1ced h ALA 84 Ca 0.49 -0.97 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1ced h ALA 84 Cb 0.79 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ced h ALA 84 CO -0.43 1.05 0.05 0.00 0.00 0.00 0.00 179.25 179.92 1ced h ALA 85 N 0.58 0.19 -0.27 0.00 0.00 0.13 0.27 119.26 120.16 1ced h ALA 85 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ced h ALA 85 Cb 1.98 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1ced h ALA 85 CO 0.19 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.46 1ced n GLY 86 N -1.16 0.36 3.76 0.00 0.00 -1.03 -4.95 105.19 102.17 1ced n GLY 86 Ca -0.03 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 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 0.35 -0.08 -1.94 1.61 5.15 0.96 -4.83 115.26 116.49 1ced n ASN 87 Ca 0.12 -0.85 -0.19 0.00 -0.60 0.00 0.00 54.58 53.05 1ced n ASN 87 Cb 0.27 -1.05 0.12 0.00 -0.53 0.00 0.00 39.78 38.59 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 -3.44 1.97 0.00 1.20 2.85 0.03 -4.98 118.16 115.80 1ced n LYS 88 Ca -0.19 -2.23 0.02 0.00 -1.05 0.00 0.00 58.31 54.86 1ced n LYS 88 Cb 0.44 -1.87 0.12 0.00 -0.65 0.00 0.00 35.03 33.07 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26