#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1odv n ALA 27 N 0.00 -1.29 -3.73 1.96 0.00 -1.26 -4.92 120.51 111.26 1odv n ALA 27 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 1odv n ALA 27 Cb 0.00 -2.87 -0.16 0.00 0.00 0.00 0.00 19.45 16.42 1odv n ALA 27 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1odv s PHE 28 N -3.34 1.29 0.34 0.00 5.36 -1.26 -4.66 117.98 115.71 1odv s PHE 28 Ca 0.73 -1.21 -0.26 0.00 -0.96 0.00 0.00 56.93 55.22 1odv s PHE 28 Cb -0.41 -1.28 -0.09 0.00 -0.34 0.00 0.00 43.02 40.89 1odv s PHE 28 CO 0.98 -0.73 1.04 0.20 -1.46 0.00 0.00 175.22 175.24 1odv s GLY 29 N 1.77 2.87 -0.09 13.12 0.00 0.47 -4.61 107.32 120.85 1odv s GLY 29 Ca 0.03 0.72 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 1odv s GLY 29 CO -0.16 1.21 0.19 0.00 0.00 0.00 0.00 173.10 174.34 1odv s ALA 30 N -1.47 -0.38 -0.07 3.20 0.00 -1.26 -1.26 121.76 120.51 1odv s ALA 30 Ca 0.51 0.80 0.01 0.00 0.00 0.00 0.00 51.96 53.29 1odv s ALA 30 Cb -0.25 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.29 1odv s ALA 30 CO 0.31 -0.26 -0.09 0.42 0.00 0.00 0.00 175.76 176.15 1odv s ILE 31 N 1.43 0.94 -0.20 0.00 1.01 0.05 -1.89 121.20 122.54 1odv s ILE 31 Ca -0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.16 1odv s ILE 31 Cb -0.11 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 1odv s ILE 31 CO -0.07 0.32 0.13 -1.58 0.00 0.00 0.00 174.94 173.74 1odv s GLN 32 N 1.03 4.16 0.14 2.79 0.74 -0.40 -0.70 119.66 127.42 1odv s GLN 32 Ca -0.08 -0.22 0.11 0.00 0.05 0.00 0.00 55.36 55.21 1odv s GLN 32 Cb -0.15 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 1odv s GLN 32 CO -0.00 0.31 -0.25 -0.51 -0.55 0.00 0.00 175.29 174.28 1odv s LEU 33 N 0.32 2.34 0.00 3.68 1.43 0.11 0.20 118.68 126.76 1odv s LEU 33 Ca 0.08 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.29 1odv s LEU 33 Cb -0.11 -1.16 0.20 0.00 0.03 0.00 0.00 46.19 45.15 1odv s LEU 33 CO -0.02 0.15 1.20 -0.90 0.23 0.00 0.00 176.35 177.01 1odv n ASP 34 N 0.80 0.36 0.00 2.29 5.68 -0.45 -1.07 116.55 124.16 1odv n ASP 34 Ca -0.17 -1.60 0.10 0.00 -0.50 0.00 0.00 54.79 52.62 1odv n ASP 34 Cb 0.54 -0.89 0.43 0.00 -1.14 0.00 0.00 41.12 40.06 1odv n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1odv n GLY 35 N -3.05 -1.14 0.32 6.12 0.00 -1.26 -1.30 105.19 104.88 1odv n GLY 35 Ca 0.16 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1odv n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1odv n ASP 36 N -1.47 1.35 0.00 1.61 8.00 -1.26 -4.96 116.55 119.82 1odv n ASP 36 Ca 0.06 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.46 1odv n ASP 36 Cb 0.22 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1odv n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1odv n GLY 37 N 1.38 0.72 3.76 0.44 0.00 -0.42 -4.90 105.19 106.16 1odv n GLY 37 Ca 0.11 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1odv n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1odv s ASN 38 N -2.00 7.19 -0.18 1.61 0.01 -1.26 -0.53 114.94 119.77 1odv s ASN 38 Ca 0.00 2.30 -0.29 0.00 -0.71 0.00 0.00 52.86 54.16 1odv s ASN 38 Cb 0.00 -2.62 -0.00 0.00 0.41 0.00 0.00 41.25 39.03 1odv s ASN 38 CO 0.00 -0.23 1.05 -0.63 -1.51 0.00 0.00 177.10 175.79 1odv s ILE 39 N -0.93 4.66 -0.21 0.60 1.01 0.15 -1.33 121.20 125.14 1odv s ILE 39 Ca 0.47 1.98 -0.02 0.00 0.00 0.00 0.00 60.65 63.08 1odv s ILE 39 Cb -0.33 -4.28 -0.20 0.00 0.01 0.00 0.00 42.46 37.66 1odv s ILE 39 CO 0.41 -0.11 -0.01 0.18 0.00 0.00 0.00 174.94 175.40 1odv n LEU 40 N 5.90 2.83 -3.90 2.97 4.77 0.13 -0.28 117.00 129.42 1odv n LEU 40 Ca 0.11 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1odv n LEU 40 Cb 0.47 -0.99 -0.10 0.00 -2.33 0.00 0.00 43.42 40.48 1odv n LEU 40 CO 0.52 0.90 -0.19 -1.10 -1.33 0.00 0.00 177.39 176.19 1odv s GLN 41 N -2.53 0.54 -0.24 3.23 -0.21 -1.12 -4.89 119.66 114.44 1odv s GLN 41 Ca -0.31 -0.58 -0.07 0.00 0.02 0.00 0.00 55.36 54.43 1odv s GLN 41 Cb 0.08 0.22 0.12 0.00 1.00 0.00 0.00 33.01 34.43 1odv s GLN 41 CO 0.66 -0.13 0.49 -0.47 -2.12 0.00 0.00 175.29 173.72 1odv s TYR 42 N -2.02 -1.03 0.65 0.91 6.14 -1.26 -1.28 117.35 119.46 1odv s TYR 42 Ca -0.10 1.69 -0.04 0.00 0.64 0.00 0.00 57.07 59.26 1odv s TYR 42 Cb -0.04 0.43 0.05 0.00 0.42 0.00 0.00 41.96 42.82 1odv s TYR 42 CO -0.02 -0.60 0.93 0.54 0.64 0.00 0.00 175.55 177.04 1odv s ASN 43 N 2.71 4.98 0.23 4.32 4.22 -0.79 -4.77 114.94 125.83 1odv s ASN 43 Ca 0.01 0.28 -0.07 0.00 -2.14 0.00 0.00 52.86 50.94 1odv s ASN 43 Cb -0.13 -1.01 0.21 0.00 1.28 0.00 0.00 41.25 41.60 1odv s ASN 43 CO -0.16 -1.43 1.85 0.00 -2.04 0.00 0.00 177.10 175.32 1odv h ALA 44 N -0.35 1.15 -0.90 3.54 0.00 -1.95 -2.31 119.26 118.44 1odv h ALA 44 Ca -0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1odv h ALA 44 Cb 1.31 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1odv h ALA 44 CO 0.57 0.66 0.53 0.00 0.00 0.00 0.00 179.25 181.02 1odv h ALA 45 N 1.27 1.24 -0.36 0.00 0.00 -1.94 0.55 119.26 120.02 1odv h ALA 45 Ca 0.32 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1odv h ALA 45 Cb 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1odv h ALA 45 CO -0.05 0.64 0.03 1.49 0.00 0.00 0.00 179.25 181.36 1odv h GLU 46 N 1.25 0.61 -0.47 0.00 4.57 -1.73 -2.54 114.58 116.28 1odv h GLU 46 Ca 0.32 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 58.35 1odv h GLU 46 Cb -0.04 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 1odv h GLU 46 CO -0.06 0.70 0.31 0.78 -1.18 0.00 0.00 179.01 179.56 1odv h GLY 47 N 0.44 0.59 1.48 1.92 0.00 -0.87 -1.34 103.07 105.29 1odv h GLY 47 Ca 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1odv h GLY 47 CO 0.01 0.19 0.10 -0.55 0.00 0.00 0.00 176.54 176.29 1odv h ASP 48 N 0.53 0.61 -0.18 0.19 3.32 -0.59 0.12 116.42 120.42 1odv h ASP 48 Ca 0.19 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 1odv h ASP 48 Cb 0.09 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1odv h ASP 48 CO -0.05 0.61 -0.44 0.40 -1.72 0.00 0.00 179.24 178.05 1odv h ILE 49 N 0.64 1.33 0.00 0.35 2.04 -0.87 -3.38 117.51 117.61 1odv h ILE 49 Ca 0.14 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1odv h ILE 49 Cb 0.26 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1odv h ILE 49 CO -0.00 0.52 -1.13 0.35 0.00 0.00 0.00 178.15 177.89 1odv n THR 50 N -4.22 0.00 -0.94 -0.27 -2.24 -0.68 -4.97 114.28 100.96 1odv n THR 50 Ca -0.06 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1odv n THR 50 Cb 0.56 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1odv n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1odv n GLY 51 N 1.43 0.94 3.76 3.38 0.00 0.42 -4.78 105.19 110.34 1odv n GLY 51 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1odv n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1odv s ARG 52 N -0.06 4.56 -0.32 1.61 3.00 -1.24 -5.01 118.95 121.49 1odv s ARG 52 Ca 0.00 1.66 -0.28 0.00 0.00 0.00 0.00 55.73 57.11 1odv s ARG 52 Cb 0.00 -3.03 0.02 0.00 0.00 0.00 0.00 34.95 31.94 1odv s ARG 52 CO 0.00 0.18 1.04 0.34 0.00 0.00 0.00 175.30 176.86 1odv s ASP 53 N -1.13 6.89 0.60 0.23 -1.08 -1.26 -4.47 116.67 116.45 1odv s ASP 53 Ca 0.47 0.99 0.30 0.00 -0.52 0.00 0.00 52.55 53.80 1odv s ASP 53 Cb -0.28 -2.53 1.72 0.00 -1.46 0.00 0.00 42.92 40.38 1odv s ASP 53 CO 0.35 -0.85 2.11 -0.65 0.52 0.00 0.00 175.17 176.66 1odv h PRO 54 N 8.10 0.00 0.00 4.34 0.11 -1.88 -0.92 132.00 141.76 1odv h PRO 54 Ca -0.21 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.67 1odv h PRO 54 Cb 1.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1odv h PRO 54 CO 1.02 0.00 -1.21 0.87 -0.21 0.00 0.00 178.00 178.47 1odv h LYS 55 N 0.00 0.00 0.00 1.05 1.79 -1.92 -3.36 116.57 114.13 1odv h LYS 55 Ca 0.07 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.42 1odv h LYS 55 Cb 0.45 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1odv h LYS 55 CO -0.00 0.84 -0.56 0.37 -1.08 0.00 0.00 179.45 179.02 1odv h GLN 56 N 0.00 0.00 0.00 3.15 -0.00 -1.58 -3.21 115.11 113.47 1odv h GLN 56 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 1odv h GLN 56 Cb 1.84 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.32 1odv h GLN 56 CO 0.11 0.56 -0.21 1.33 0.00 0.00 0.00 178.83 180.62 1odv n VAL 57 N -3.49 0.24 -1.79 2.39 0.24 -1.09 -4.85 118.33 109.99 1odv n VAL 57 Ca 0.00 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.34 61.75 1odv n VAL 57 Cb 0.65 -0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.68 1odv n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1odv s ILE 58 N -3.06 2.13 0.00 1.34 -1.09 -1.22 -1.58 121.20 117.72 1odv s ILE 58 Ca 0.11 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1odv s ILE 58 Cb 0.16 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.97 1odv s ILE 58 CO 0.62 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 1odv n GLY 59 N 2.79 2.21 3.85 6.18 0.00 0.61 -4.97 105.19 115.87 1odv n GLY 59 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1odv n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1odv s LYS 60 N -0.34 3.57 -0.17 1.61 1.02 -0.62 -4.54 119.74 120.27 1odv s LYS 60 Ca 0.00 0.84 -0.27 0.00 0.02 0.00 0.00 55.97 56.56 1odv s LYS 60 Cb 0.00 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1odv s LYS 60 CO 0.00 -0.59 0.92 1.21 -0.92 0.00 0.00 175.35 175.97 1odv s ASN 61 N -3.84 7.05 0.07 2.83 3.84 -1.26 -0.68 114.94 122.94 1odv s ASN 61 Ca 0.57 1.29 -0.24 0.00 0.21 0.00 0.00 52.86 54.69 1odv s ASN 61 Cb -0.11 -2.49 -0.16 0.00 -0.55 0.00 0.00 41.25 37.93 1odv s ASN 61 CO 0.49 -0.47 1.63 0.15 -2.79 0.00 0.00 177.10 176.11 1odv h PHE 62 N 7.32 -0.06 0.00 0.43 3.57 -1.16 -1.07 116.94 125.98 1odv h PHE 62 Ca -0.27 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.09 1odv h PHE 62 Cb 1.12 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1odv h PHE 62 CO 0.73 0.06 -0.67 0.74 -2.23 0.00 0.00 178.31 176.93 1odv h PHE 63 N -0.16 0.00 0.00 0.41 0.04 -1.81 0.99 116.94 116.41 1odv h PHE 63 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1odv h PHE 63 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1odv h PHE 63 CO -0.04 0.67 -1.63 1.63 -0.60 0.00 0.00 178.31 178.35 1odv n LYS 64 N -3.47 0.59 0.03 1.51 4.76 -1.23 -3.96 118.16 116.40 1odv n LYS 64 Ca 0.00 -0.13 -0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1odv n LYS 64 Cb 0.73 -1.35 -0.00 0.00 -1.84 0.00 0.00 35.03 32.57 1odv n LYS 64 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1odv n ASP 65 N -1.98 0.92 0.03 4.39 8.00 -0.48 -4.77 116.55 122.66 1odv n ASP 65 Ca -0.02 0.12 -0.19 0.00 0.71 0.00 0.00 54.79 55.41 1odv n ASP 65 Cb 0.39 -0.29 -0.12 0.00 -0.02 0.00 0.00 41.12 41.08 1odv n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1odv h VAL 66 N -0.04 1.42 -2.09 2.53 2.07 -1.37 -3.39 116.25 115.38 1odv h VAL 66 Ca 0.00 -2.23 -0.54 0.00 0.82 0.00 0.00 66.70 64.75 1odv h VAL 66 Cb 0.04 2.73 -0.41 0.00 -1.52 0.00 0.00 31.29 32.13 1odv h VAL 66 CO 0.00 0.65 -0.87 0.00 0.02 0.00 0.00 177.57 177.37 1odv n ALA 67 N -2.62 3.69 0.30 1.67 0.00 0.34 -4.94 120.51 118.94 1odv n ALA 67 Ca -0.12 -4.15 0.18 0.00 0.00 0.00 0.00 53.44 49.35 1odv n ALA 67 Cb 0.75 -0.80 0.93 0.00 0.00 0.00 0.00 19.45 20.34 1odv n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1odv h PRO 68 N 2.96 0.00 0.00 0.00 0.13 -1.73 -0.47 132.00 132.90 1odv h PRO 68 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1odv h PRO 68 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1odv h PRO 68 CO 0.69 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 1odv n THR 70 N -2.10 0.00 -2.75 0.00 -2.24 -0.18 -4.58 114.28 102.43 1odv n THR 70 Ca 0.01 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 1odv n THR 70 Cb 0.16 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 1odv n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1odv s ASP 71 N -2.07 6.86 0.06 3.42 -1.08 -0.48 -1.66 116.67 121.72 1odv s ASP 71 Ca 0.39 -2.49 -0.15 0.00 -0.52 0.00 0.00 52.55 49.77 1odv s ASP 71 Cb 0.21 -2.49 0.03 0.00 -1.46 0.00 0.00 42.92 39.21 1odv s ASP 71 CO 0.37 -1.04 0.35 -0.94 0.52 0.00 0.00 175.17 174.43 1odv s SER 72 N 3.73 -0.19 0.50 -0.34 1.04 -1.26 -4.96 113.70 112.22 1odv s SER 72 Ca 0.47 -0.16 0.16 0.00 0.48 0.00 0.00 55.95 56.90 1odv s SER 72 Cb 0.00 0.40 1.21 0.00 0.10 0.00 0.00 66.02 67.73 1odv s SER 72 CO 0.01 -0.67 2.10 -0.65 0.98 0.00 0.00 173.24 175.01 1odv h PRO 73 N 3.02 0.11 0.00 4.02 0.11 -1.95 -0.55 132.00 136.76 1odv h PRO 73 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1odv h PRO 73 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1odv h PRO 73 CO 0.46 0.08 0.00 -0.85 -0.21 0.00 0.00 178.00 177.47 1odv n GLU 74 N -4.50 0.12 0.00 1.05 0.00 -1.26 -2.39 120.64 113.66 1odv n GLU 74 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1odv n GLU 74 Cb 0.19 -1.66 0.00 0.00 0.00 0.00 0.00 31.44 29.98 1odv n GLU 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1odv n PHE 75 N -1.87 0.00 -0.33 -1.84 -0.00 -0.90 -4.57 117.46 107.95 1odv n PHE 75 Ca 0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.56 1odv n PHE 75 Cb 0.35 0.00 0.21 0.00 -0.00 0.00 0.00 39.48 40.04 1odv n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1odv h TYR 76 N 0.00 1.01 -0.59 -5.13 3.20 -0.66 -0.24 116.97 114.56 1odv h TYR 76 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1odv h TYR 76 Cb 0.00 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 1odv h TYR 76 CO 0.00 0.40 0.31 0.78 -1.64 0.00 0.00 178.16 178.01 1odv h GLY 77 N 0.90 0.88 1.35 1.82 0.00 -1.08 -0.43 103.07 106.52 1odv h GLY 77 Ca 0.46 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1odv h GLY 77 CO -0.26 0.40 0.15 0.50 0.00 0.00 0.00 176.54 177.32 1odv h LYS 78 N 0.79 0.82 0.06 4.80 1.57 -1.00 -1.55 116.57 122.06 1odv h LYS 78 Ca 0.20 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1odv h LYS 78 Cb 0.07 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1odv h LYS 78 CO -0.03 0.72 -0.04 0.35 -0.57 0.00 0.00 179.45 179.88 1odv h PHE 79 N 0.79 -0.11 -0.74 -1.35 3.57 -0.47 -0.54 116.94 118.09 1odv h PHE 79 Ca 0.18 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1odv h PHE 79 Cb 0.26 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1odv h PHE 79 CO 0.02 -0.07 0.27 0.87 -2.23 0.00 0.00 178.31 177.17 1odv h LYS 80 N -0.10 1.13 -0.63 1.11 1.57 -0.82 0.75 116.57 119.57 1odv h LYS 80 Ca -0.00 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 1odv h LYS 80 Cb 0.09 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1odv h LYS 80 CO -0.00 0.94 0.14 1.49 -0.57 0.00 0.00 179.45 181.44 1odv h GLU 81 N 1.08 1.03 -0.29 3.15 4.81 -1.19 -1.67 114.58 121.50 1odv h GLU 81 Ca 0.24 -0.26 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1odv h GLU 81 Cb 0.25 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1odv h GLU 81 CO -0.02 0.94 -0.34 0.78 -0.73 0.00 0.00 179.01 179.64 1odv h GLY 82 N 0.94 0.71 0.92 1.92 0.00 -0.48 -0.42 103.07 106.66 1odv h GLY 82 Ca 0.20 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1odv h GLY 82 CO 0.01 0.61 0.05 -2.08 0.00 0.00 0.00 176.54 175.13 1odv h VAL 83 N 0.55 1.09 -0.52 4.60 2.07 -0.78 -1.61 116.25 121.65 1odv h VAL 83 Ca 0.06 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1odv h VAL 83 Cb 0.85 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1odv h VAL 83 CO 0.07 0.08 0.30 0.00 0.02 0.00 0.00 177.57 178.05 1odv h ALA 84 N 0.95 0.66 -0.21 1.67 0.00 -1.11 -2.94 119.26 118.29 1odv h ALA 84 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1odv h ALA 84 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1odv h ALA 84 CO -0.01 0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 1odv n SER 85 N -4.66 1.77 -2.12 0.00 3.41 -0.18 -4.93 113.62 106.91 1odv n SER 85 Ca 0.03 -1.77 -0.21 0.00 -0.26 0.00 0.00 58.87 56.66 1odv n SER 85 Cb 0.07 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 1odv n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1odv n GLY 86 N 1.13 0.32 0.57 5.00 0.00 -0.66 -4.87 105.19 106.68 1odv n GLY 86 Ca 0.16 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1odv n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1odv n ASN 87 N -1.77 0.68 -4.66 1.61 6.94 -0.88 -5.04 115.26 112.14 1odv n ASN 87 Ca -0.23 -2.30 -0.47 0.00 -0.02 0.00 0.00 54.58 51.56 1odv n ASN 87 Cb 0.69 -0.27 -0.04 0.00 -2.36 0.00 0.00 39.78 37.79 1odv n ASN 87 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1odv n LEU 88 N -0.26 3.50 -2.94 -4.53 7.94 -1.19 -4.85 117.00 114.66 1odv n LEU 88 Ca 0.05 0.86 0.01 0.00 -1.11 0.00 0.00 56.01 55.81 1odv n LEU 88 Cb 0.75 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.30 1odv n LEU 88 CO -0.01 -0.10 0.29 0.21 -1.11 0.00 0.00 177.39 176.68 1odv s ASN 89 N 4.73 -0.90 0.18 1.96 2.47 -1.21 -1.70 114.94 120.47 1odv s ASN 89 Ca 0.94 -0.54 -0.09 0.00 0.42 0.00 0.00 52.86 53.59 1odv s ASN 89 Cb -0.62 1.16 -0.01 0.00 -1.45 0.00 0.00 41.25 40.33 1odv s ASN 89 CO 0.48 -0.09 0.30 0.28 -3.72 0.00 0.00 177.10 174.35 1odv s THR 90 N 1.77 0.05 -0.07 -5.21 -1.32 -0.69 -4.98 115.64 105.19 1odv s THR 90 Ca 0.17 -1.42 -0.03 0.00 -1.21 0.00 0.00 61.69 59.20 1odv s THR 90 Cb 0.01 -1.91 0.04 0.00 -1.51 0.00 0.00 72.50 69.12 1odv s THR 90 CO -0.11 -0.24 0.16 -0.32 -2.21 0.00 0.00 174.62 171.90 1odv s MET 91 N -3.98 0.11 0.22 7.08 1.75 -1.26 -1.03 119.30 122.19 1odv s MET 91 Ca 0.19 0.42 -0.22 0.00 -1.25 0.00 0.00 55.69 54.82 1odv s MET 91 Cb 0.03 -0.18 0.04 0.00 2.84 0.00 0.00 34.83 37.57 1odv s MET 91 CO 0.02 -0.18 0.68 -0.59 -0.65 0.00 0.00 175.02 174.30 1odv s PHE 92 N 1.30 -0.34 0.20 4.11 -0.71 -0.51 -5.00 117.98 117.03 1odv s PHE 92 Ca -0.08 -0.01 -0.08 0.00 -1.04 0.00 0.00 56.93 55.72 1odv s PHE 92 Cb -0.11 0.64 -0.07 0.00 -1.21 0.00 0.00 43.02 42.27 1odv s PHE 92 CO -0.06 -1.05 0.50 -1.21 -1.34 0.00 0.00 175.22 172.05 1odv s GLU 93 N -3.82 3.75 0.16 1.99 2.02 -1.26 -0.34 118.70 121.21 1odv s GLU 93 Ca 0.07 0.18 -0.16 0.00 0.02 0.00 0.00 54.97 55.07 1odv s GLU 93 Cb -0.04 -2.71 0.03 0.00 0.10 0.00 0.00 34.13 31.51 1odv s GLU 93 CO -0.02 0.36 0.45 -0.47 0.02 0.00 0.00 175.26 175.61 1odv s TYR 94 N -1.76 -0.10 -0.14 1.61 5.04 -0.42 -4.93 117.35 116.64 1odv s TYR 94 Ca 0.45 -0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 1odv s TYR 94 Cb -0.12 0.30 -0.00 0.00 0.35 0.00 0.00 41.96 42.49 1odv s TYR 94 CO 0.22 -0.81 -0.18 0.99 -1.34 0.00 0.00 175.55 174.43 1odv s THR 95 N -3.85 2.50 -0.26 4.34 2.01 -1.26 -0.48 115.64 118.64 1odv s THR 95 Ca 0.07 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 1odv s THR 95 Cb 0.01 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 1odv s THR 95 CO -0.06 0.53 0.24 -0.36 -0.69 0.00 0.00 174.62 174.28 1odv s PHE 96 N 0.69 3.27 0.00 4.92 0.08 -0.24 -4.90 117.98 121.80 1odv s PHE 96 Ca -0.08 0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.23 1odv s PHE 96 Cb -0.16 -2.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 1odv s PHE 96 CO 0.02 -0.09 0.40 -0.40 -0.10 0.00 0.00 175.22 175.04 1odv n ASP 97 N 4.82 0.00 -4.59 1.36 5.68 -1.26 -1.32 116.55 121.23 1odv n ASP 97 Ca -0.13 -1.04 -0.42 0.00 -0.50 0.00 0.00 54.79 52.71 1odv n ASP 97 Cb 0.52 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.43 1odv n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1odv s TYR 98 N 0.00 3.16 -1.48 2.11 5.04 -1.26 -4.04 117.35 120.87 1odv s TYR 98 Ca 0.00 0.60 -0.07 0.00 -2.44 0.00 0.00 57.07 55.16 1odv s TYR 98 Cb 0.00 -3.26 0.03 0.00 0.35 0.00 0.00 41.96 39.08 1odv s TYR 98 CO 0.00 -0.64 0.68 1.04 -1.34 0.00 0.00 175.55 175.29 1odv n GLN 99 N 6.24 -5.00 -3.52 4.97 6.02 -1.26 -4.95 117.38 119.88 1odv n GLN 99 Ca 0.02 0.79 -0.17 0.00 -0.01 0.00 0.00 57.00 57.63 1odv n GLN 99 Cb 0.48 -5.65 -0.06 0.00 1.02 0.00 0.00 30.24 26.04 1odv n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1odv s MET 100 N -5.90 1.07 0.29 -1.09 0.23 -1.26 -4.96 119.30 107.68 1odv s MET 100 Ca 0.38 0.15 -0.30 0.00 -1.03 0.00 0.00 55.69 54.89 1odv s MET 100 Cb -0.18 0.50 -0.12 0.00 -1.53 0.00 0.00 34.83 33.51 1odv s MET 100 CO 0.47 -0.35 1.57 2.41 -2.03 0.00 0.00 175.02 177.09 1odv n THR 101 N 0.76 1.04 -1.67 3.16 -1.04 -1.26 -4.59 114.28 110.68 1odv n THR 101 Ca -0.19 -0.26 -0.46 0.00 -2.04 0.00 0.00 64.05 61.10 1odv n THR 101 Cb 0.58 -1.91 -0.04 0.00 -1.82 0.00 0.00 70.33 67.14 1odv n THR 101 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1odv n PRO 102 N 2.10 2.15 -4.00 -2.82 -0.02 -1.26 -4.75 135.00 126.40 1odv n PRO 102 Ca 0.09 0.78 -0.26 0.00 -2.02 0.00 0.00 63.50 62.09 1odv n PRO 102 Cb 0.36 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 31.12 1odv n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1odv s THR 103 N 1.34 0.94 -0.01 3.45 2.01 -0.44 -4.96 115.64 117.97 1odv s THR 103 Ca 0.81 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 1odv s THR 103 Cb -0.68 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1odv s THR 103 CO 0.40 0.35 1.08 -0.54 -0.69 0.00 0.00 174.62 175.22 1odv s LYS 104 N 1.54 4.46 0.16 4.92 1.02 -1.26 -1.07 119.74 129.50 1odv s LYS 104 Ca 0.01 1.55 0.04 0.00 0.02 0.00 0.00 55.97 57.59 1odv s LYS 104 Cb -0.13 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 1odv s LYS 104 CO -0.06 -0.23 -0.07 0.14 -0.92 0.00 0.00 175.35 174.22 1odv s VAL 105 N 1.45 1.02 -0.18 3.17 -7.23 0.37 -1.79 120.40 117.21 1odv s VAL 105 Ca 0.54 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.61 1odv s VAL 105 Cb -0.23 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1odv s VAL 105 CO 0.25 -0.65 0.03 -0.75 -0.31 0.00 0.00 175.10 173.68 1odv s LYS 106 N -3.80 3.85 -0.06 4.82 2.20 0.83 -1.31 119.74 126.27 1odv s LYS 106 Ca 0.19 -0.41 0.05 0.00 -0.36 0.00 0.00 55.97 55.44 1odv s LYS 106 Cb 0.04 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1odv s LYS 106 CO 0.02 0.22 -0.22 0.08 -0.36 0.00 0.00 175.35 175.09 1odv s VAL 107 N 0.50 2.38 -0.06 4.02 1.01 0.54 -1.28 120.40 127.50 1odv s VAL 107 Ca 0.01 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1odv s VAL 107 Cb -0.13 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1odv s VAL 107 CO 0.01 0.57 -0.16 -1.00 0.00 0.00 0.00 175.10 174.53 1odv s HIS 108 N -0.26 2.68 -0.07 5.22 3.76 -0.21 -1.42 115.29 124.99 1odv s HIS 108 Ca -0.00 -0.29 0.05 0.00 -0.15 0.00 0.00 55.06 54.67 1odv s HIS 108 Cb -0.13 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.89 1odv s HIS 108 CO 0.03 0.08 -0.21 -1.64 -0.85 0.00 0.00 174.74 172.15 1odv s MET 109 N -0.51 2.69 -0.04 1.40 -1.94 -0.19 -0.48 119.30 120.21 1odv s MET 109 Ca 0.07 -0.83 -0.02 0.00 -1.71 0.00 0.00 55.69 53.20 1odv s MET 109 Cb -0.12 -2.28 0.03 0.00 2.01 0.00 0.00 34.83 34.47 1odv s MET 109 CO 0.01 0.40 0.10 0.15 -0.01 0.00 0.00 175.02 175.67 1odv s LYS 110 N -0.18 0.06 0.58 2.03 -0.14 -0.28 -1.71 119.74 120.10 1odv s LYS 110 Ca -0.02 0.25 -0.19 0.00 -1.36 0.00 0.00 55.97 54.65 1odv s LYS 110 Cb -0.14 -0.14 -0.04 0.00 -1.68 0.00 0.00 37.83 35.83 1odv s LYS 110 CO 0.03 -0.13 1.17 -1.59 -0.76 0.00 0.00 175.35 174.08 1odv s LYS 111 N 0.85 3.12 0.27 1.68 -2.85 -0.69 -0.19 119.74 121.93 1odv s LYS 111 Ca -0.07 1.70 -0.29 0.00 -1.00 0.00 0.00 55.97 56.31 1odv s LYS 111 Cb -0.09 -1.96 -0.09 0.00 -2.06 0.00 0.00 37.83 33.62 1odv s LYS 111 CO -0.04 -1.05 1.18 0.00 0.10 0.00 0.00 175.35 175.54 1odv s ALA 112 N -1.72 3.44 -0.04 0.59 0.00 -0.32 -4.80 121.76 118.92 1odv s ALA 112 Ca 0.75 1.00 0.22 0.00 0.00 0.00 0.00 51.96 53.93 1odv s ALA 112 Cb -0.27 -3.39 0.65 0.00 0.00 0.00 0.00 23.12 20.12 1odv s ALA 112 CO 0.31 -0.33 1.71 -0.07 0.00 0.00 0.00 175.76 177.38 1odv h LEU 113 N 4.12 0.00 -8.31 0.00 3.38 -1.94 -3.43 115.31 109.12 1odv h LEU 113 Ca -0.47 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.88 1odv h LEU 113 Cb 1.22 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.65 1odv h LEU 113 CO 0.69 0.24 -0.86 -0.94 0.09 0.00 0.00 178.44 177.65 1odv s SER 114 N -6.21 2.64 0.00 -0.43 1.04 -1.26 -5.07 113.70 104.40 1odv s SER 114 Ca 0.03 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1odv s SER 114 Cb 0.09 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.30 1odv s SER 114 CO 0.66 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.66 1odv n GLY 115 N 3.25 -2.05 1.81 7.32 0.00 -1.26 -4.63 105.19 109.64 1odv n GLY 115 Ca -0.19 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 1odv n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1odv n ASP 116 N 0.80 4.11 -4.50 1.61 8.00 -1.26 -4.84 116.55 120.46 1odv n ASP 116 Ca 0.00 -3.73 -0.27 0.00 0.71 0.00 0.00 54.79 51.49 1odv n ASP 116 Cb 0.00 -0.74 -0.09 0.00 -0.02 0.00 0.00 41.12 40.27 1odv n ASP 116 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1odv s SER 117 N -2.14 3.31 0.01 -2.24 1.04 -1.26 -4.30 113.70 108.13 1odv s SER 117 Ca 0.53 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1odv s SER 117 Cb 0.45 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 1odv s SER 117 CO 0.03 -0.71 -0.02 -0.31 0.98 0.00 0.00 173.24 173.21 1odv s TYR 118 N -3.02 0.16 0.04 5.02 1.51 -0.24 -1.17 117.35 119.65 1odv s TYR 118 Ca 0.25 -0.31 0.08 0.00 -1.01 0.00 0.00 57.07 56.08 1odv s TYR 118 Cb 0.06 -0.11 -0.03 0.00 -0.11 0.00 0.00 41.96 41.77 1odv s TYR 118 CO 0.12 -0.11 -0.23 -1.58 -1.11 0.00 0.00 175.55 172.64 1odv s TRP 119 N -0.85 2.04 -0.13 2.71 0.52 0.73 0.06 118.94 124.02 1odv s TRP 119 Ca -0.09 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.66 1odv s TRP 119 Cb -0.06 -1.22 0.00 0.00 -1.15 0.00 0.00 33.47 31.04 1odv s TRP 119 CO -0.01 0.10 -0.20 0.08 0.02 0.00 0.00 176.95 176.95 1odv s VAL 120 N -0.79 2.33 0.03 4.03 1.01 0.13 -1.13 120.40 126.01 1odv s VAL 120 Ca 0.09 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.26 1odv s VAL 120 Cb -0.09 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1odv s VAL 120 CO 0.02 0.54 -0.26 -0.36 0.00 0.00 0.00 175.10 175.04 1odv s PHE 121 N 0.64 2.29 -0.02 5.22 0.08 0.36 -0.77 117.98 125.79 1odv s PHE 121 Ca -0.10 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.54 1odv s PHE 121 Cb -0.16 -1.40 0.03 0.00 -0.57 0.00 0.00 43.02 40.92 1odv s PHE 121 CO 0.02 0.09 0.01 0.08 -0.10 0.00 0.00 175.22 175.32 1odv s VAL 122 N -0.76 0.08 -0.00 -0.44 1.01 -0.39 -1.04 120.40 118.85 1odv s VAL 122 Ca 0.11 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1odv s VAL 122 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1odv s VAL 122 CO 0.01 0.11 -0.09 -0.75 0.00 0.00 0.00 175.10 174.38 1odv s LYS 123 N 0.93 0.72 0.42 2.72 2.20 -0.40 -0.40 119.74 125.94 1odv s LYS 123 Ca -0.09 -0.36 -0.26 0.00 -0.36 0.00 0.00 55.97 54.90 1odv s LYS 123 Cb -0.12 -0.69 -0.08 0.00 -1.51 0.00 0.00 37.83 35.42 1odv s LYS 123 CO -0.02 0.19 1.34 1.03 -0.36 0.00 0.00 175.35 177.53 1odv s ARG 124 N -0.33 3.85 0.00 4.03 0.52 -1.26 -0.12 118.95 125.64 1odv s ARG 124 Ca 0.03 2.23 0.30 0.00 -0.52 0.00 0.00 55.73 57.77 1odv s ARG 124 Cb -0.04 -2.70 1.38 0.00 0.52 0.00 0.00 34.95 34.11 1odv s ARG 124 CO -0.00 -0.61 1.93 1.33 0.02 0.00 0.00 175.30 177.97