#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 -0.83 -1.72 1.96 0.00 -1.26 -4.88 120.51 113.79 1odv n ALA 27 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1odv n ALA 27 Cb 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 19.45 17.53 1odv n ALA 27 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1odv n PHE 28 N -1.80 2.54 -2.11 0.00 3.01 -1.26 -4.85 117.46 113.00 1odv n PHE 28 Ca 0.12 0.46 -0.38 0.00 1.01 0.00 0.00 57.45 58.66 1odv n PHE 28 Cb 0.48 -2.48 0.00 0.00 -0.01 0.00 0.00 39.48 37.47 1odv n PHE 28 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1odv s GLY 29 N -0.04 2.83 -0.06 1.37 0.00 0.43 -4.59 107.32 107.26 1odv s GLY 29 Ca 0.58 1.07 -0.02 0.00 0.00 0.00 0.00 44.72 46.35 1odv s GLY 29 CO 0.58 1.56 0.12 0.00 0.00 0.00 0.00 173.10 175.37 1odv s ALA 30 N -1.45 -0.20 -0.05 3.20 0.00 -1.26 -1.01 121.76 120.98 1odv s ALA 30 Ca 0.65 0.59 0.03 0.00 0.00 0.00 0.00 51.96 53.22 1odv s ALA 30 Cb -0.33 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.40 1odv s ALA 30 CO 0.40 -0.14 -0.12 0.42 0.00 0.00 0.00 175.76 176.32 1odv s ILE 31 N 1.08 1.07 -0.18 0.00 1.01 -0.22 -1.35 121.20 122.61 1odv s ILE 31 Ca -0.08 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 1odv s ILE 31 Cb -0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 1odv s ILE 31 CO -0.05 0.33 0.02 -1.58 0.00 0.00 0.00 174.94 173.66 1odv s GLN 32 N 0.49 3.81 0.11 2.79 0.74 -0.24 -0.65 119.66 126.71 1odv s GLN 32 Ca -0.10 -0.44 0.08 0.00 0.05 0.00 0.00 55.36 54.95 1odv s GLN 32 Cb -0.14 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 30.85 1odv s GLN 32 CO 0.03 0.22 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.31 1odv s LEU 33 N 0.48 2.77 0.95 3.68 1.43 0.10 -0.04 118.68 128.05 1odv s LEU 33 Ca 0.00 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 1odv s LEU 33 Cb -0.13 -1.61 0.21 0.00 0.03 0.00 0.00 46.19 44.69 1odv s LEU 33 CO 0.02 0.18 1.29 1.51 0.23 0.00 0.00 176.35 179.58 1odv s ASP 34 N -2.11 3.08 0.39 2.29 1.47 -0.41 -0.49 116.67 120.89 1odv s ASP 34 Ca 0.18 0.02 0.28 0.00 1.18 0.00 0.00 52.55 54.21 1odv s ASP 34 Cb -0.11 -0.02 1.20 0.00 -0.34 0.00 0.00 42.92 43.65 1odv s ASP 34 CO 0.11 -2.74 1.84 1.23 0.68 0.00 0.00 175.17 176.29 1odv h GLY 35 N -1.54 0.00 -0.02 2.12 0.00 -1.91 -0.63 103.07 101.08 1odv h GLY 35 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1odv h GLY 35 CO 0.33 0.00 -0.18 1.22 0.00 0.00 0.00 176.54 177.91 1odv n ASP 36 N -2.61 1.21 0.00 0.19 8.00 -1.26 -4.95 116.55 117.14 1odv n ASP 36 Ca 0.01 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1odv n ASP 36 Cb 0.25 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 1.29 0.78 3.76 0.44 0.00 -0.24 -4.91 105.19 106.31 1odv n GLY 37 Ca 0.14 -0.04 -0.40 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 -2.03 7.11 -0.34 1.61 0.01 -1.26 -0.60 114.94 119.43 1odv s ASN 38 Ca 0.00 2.40 -0.28 0.00 -0.71 0.00 0.00 52.86 54.27 1odv s ASN 38 Cb 0.00 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 39.04 1odv s ASN 38 CO 0.00 -0.27 1.03 -0.63 -1.51 0.00 0.00 177.10 175.72 1odv s ILE 39 N -1.16 4.53 -0.17 0.60 1.01 0.06 -1.29 121.20 124.78 1odv s ILE 39 Ca 0.46 1.55 0.06 0.00 0.00 0.00 0.00 60.65 62.72 1odv s ILE 39 Cb -0.34 -4.39 -0.22 0.00 0.01 0.00 0.00 42.46 37.51 1odv s ILE 39 CO 0.45 -0.50 0.17 0.18 0.00 0.00 0.00 174.94 175.23 1odv n LEU 40 N 6.86 1.73 -3.90 2.97 4.77 0.94 -0.47 117.00 129.91 1odv n LEU 40 Ca 0.10 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 1odv n LEU 40 Cb 0.47 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1odv n LEU 40 CO 0.59 0.70 -0.19 -1.10 -1.33 0.00 0.00 177.39 176.06 1odv s GLN 41 N -2.54 0.52 -0.28 3.23 -0.21 -1.05 -4.88 119.66 114.47 1odv s GLN 41 Ca -0.20 -0.55 -0.05 0.00 0.02 0.00 0.00 55.36 54.58 1odv s GLN 41 Cb 0.07 0.21 0.15 0.00 1.00 0.00 0.00 33.01 34.44 1odv s GLN 41 CO 0.74 -0.13 0.56 -0.47 -2.12 0.00 0.00 175.29 173.88 1odv s TYR 42 N -1.88 -1.29 0.63 0.91 6.14 -1.26 -1.08 117.35 119.52 1odv s TYR 42 Ca -0.11 1.79 -0.02 0.00 0.64 0.00 0.00 57.07 59.36 1odv s TYR 42 Cb -0.05 0.54 0.05 0.00 0.42 0.00 0.00 41.96 42.92 1odv s TYR 42 CO -0.01 -0.72 0.89 0.54 0.64 0.00 0.00 175.55 176.89 1odv s ASN 43 N 2.79 5.04 0.25 4.32 4.22 -0.46 -4.82 114.94 126.28 1odv s ASN 43 Ca 0.07 0.19 -0.01 0.00 -2.14 0.00 0.00 52.86 50.97 1odv s ASN 43 Cb -0.14 -0.95 0.31 0.00 1.28 0.00 0.00 41.25 41.75 1odv s ASN 43 CO -0.18 -1.37 1.71 0.00 -2.04 0.00 0.00 177.10 175.21 1odv h ALA 44 N -0.25 1.03 -0.88 3.54 0.00 -1.95 -2.63 119.26 118.13 1odv h ALA 44 Ca -0.43 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 1odv h ALA 44 Cb 1.30 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1odv h ALA 44 CO 0.55 0.58 0.53 0.00 0.00 0.00 0.00 179.25 180.91 1odv h ALA 45 N 1.22 1.12 -0.66 0.00 0.00 -1.90 -0.04 119.26 119.00 1odv h ALA 45 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1odv h ALA 45 Cb 0.60 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1odv h ALA 45 CO 0.04 0.58 0.36 1.49 0.00 0.00 0.00 179.25 181.72 1odv h GLU 46 N 1.21 0.92 -0.18 0.00 4.57 -1.75 -1.48 114.58 117.87 1odv h GLU 46 Ca 0.31 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.33 1odv h GLU 46 Cb -0.05 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.35 1odv h GLU 46 CO -0.06 0.69 -0.13 0.78 -1.18 0.00 0.00 179.01 179.11 1odv h GLY 47 N 0.90 0.30 1.34 1.92 0.00 -1.02 -1.12 103.07 105.39 1odv h GLY 47 Ca 0.23 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 1odv h GLY 47 CO -0.04 0.18 -0.10 -0.55 0.00 0.00 0.00 176.54 176.03 1odv h ASP 48 N 0.27 0.77 -0.30 0.19 3.32 -0.39 0.20 116.42 120.48 1odv h ASP 48 Ca 0.05 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1odv h ASP 48 Cb 0.40 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1odv h ASP 48 CO 0.02 0.90 -0.00 0.40 -1.72 0.00 0.00 179.24 178.84 1odv h ILE 49 N 0.71 1.26 0.00 0.35 2.04 -0.51 -3.37 117.51 117.99 1odv h ILE 49 Ca 0.12 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1odv h ILE 49 Cb 0.58 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1odv h ILE 49 CO 0.04 0.31 -0.98 0.35 0.00 0.00 0.00 178.15 177.87 1odv n THR 50 N -4.56 0.00 -0.93 -0.27 -2.24 -0.50 -4.95 114.28 100.83 1odv n THR 50 Ca -0.03 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1odv n THR 50 Cb 0.26 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.44 0.80 3.76 3.38 0.00 0.69 -4.74 105.19 110.52 1odv n GLY 51 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.18 4.72 -0.30 1.61 3.00 -1.24 -5.00 118.95 121.56 1odv s ARG 52 Ca 0.00 1.53 -0.22 0.00 0.00 0.00 0.00 55.73 57.04 1odv s ARG 52 Cb 0.00 -3.13 -0.00 0.00 0.00 0.00 0.00 34.95 31.82 1odv s ARG 52 CO 0.00 0.37 0.73 0.34 0.00 0.00 0.00 175.30 176.74 1odv s ASP 53 N -1.21 6.61 0.26 0.23 2.15 -1.26 -4.36 116.67 119.08 1odv s ASP 53 Ca 0.44 0.60 -0.04 0.00 0.43 0.00 0.00 52.55 53.99 1odv s ASP 53 Cb -0.26 -2.38 0.52 0.00 -0.30 0.00 0.00 42.92 40.50 1odv s ASP 53 CO 0.32 -0.55 1.66 -0.65 -0.17 0.00 0.00 175.17 175.78 1odv h PRO 54 N 8.11 0.20 0.00 4.34 0.11 -1.89 0.45 132.00 143.32 1odv h PRO 54 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1odv h PRO 54 Cb 1.10 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1odv h PRO 54 CO 0.85 0.13 0.00 1.57 -0.21 0.00 0.00 178.00 180.34 1odv h LYS 55 N 0.20 0.00 0.00 1.05 2.10 -1.93 -1.61 116.57 116.38 1odv h LYS 55 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1odv h LYS 55 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1odv h LYS 55 CO -0.59 0.00 -0.62 1.04 -2.00 0.00 0.00 179.45 177.27 1odv n GLN 56 N -2.71 0.03 -0.01 0.07 6.02 0.14 -4.32 117.38 116.60 1odv n GLN 56 Ca -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1odv n GLN 56 Cb 0.16 -1.52 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 1odv n GLN 56 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1odv n VAL 57 N -1.56 0.16 -1.86 5.09 0.24 -0.69 -4.93 118.33 114.78 1odv n VAL 57 Ca 0.05 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.34 61.72 1odv n VAL 57 Cb 0.35 -0.05 -0.01 0.00 -1.47 0.00 0.00 33.84 32.65 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 -2.41 2.23 0.00 1.34 1.01 -0.72 -1.62 121.20 121.02 1odv s ILE 58 Ca -0.03 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1odv s ILE 58 Cb 0.04 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1odv s ILE 58 CO 0.31 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1odv n GLY 59 N 1.50 1.80 3.96 6.18 0.00 0.38 -5.00 105.19 114.01 1odv n GLY 59 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.50 3.00 -0.11 1.61 1.02 -0.64 -4.74 119.74 119.37 1odv s LYS 60 Ca 0.00 -0.58 -0.25 0.00 0.02 0.00 0.00 55.97 55.16 1odv s LYS 60 Cb 0.00 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 1odv s LYS 60 CO 0.00 -0.30 0.81 1.21 -0.92 0.00 0.00 175.35 176.15 1odv s ASN 61 N -4.24 7.02 0.03 2.83 3.84 -1.26 -0.76 114.94 122.40 1odv s ASN 61 Ca 0.49 1.25 -0.25 0.00 0.21 0.00 0.00 52.86 54.56 1odv s ASN 61 Cb -0.10 -2.46 -0.18 0.00 -0.55 0.00 0.00 41.25 37.97 1odv s ASN 61 CO 0.37 -0.29 1.49 0.15 -2.79 0.00 0.00 177.10 176.03 1odv h PHE 62 N 7.08 -0.05 0.01 0.43 3.57 -1.19 -1.17 116.94 125.62 1odv h PHE 62 Ca -0.35 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 60.95 1odv h PHE 62 Cb 1.16 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1odv h PHE 62 CO 0.69 0.20 -0.91 0.74 -2.23 0.00 0.00 178.31 176.80 1odv h PHE 63 N -0.30 0.19 0.00 0.41 0.04 -1.81 0.28 116.94 115.75 1odv h PHE 63 Ca -0.01 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1odv h PHE 63 Cb 0.27 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1odv h PHE 63 CO 0.01 0.96 -0.85 1.63 -0.60 0.00 0.00 178.31 179.46 1odv n LYS 64 N -3.58 1.29 0.09 1.51 4.76 -1.24 -4.02 118.16 116.97 1odv n LYS 64 Ca -0.03 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1odv n LYS 64 Cb 0.84 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 1odv n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1odv n ASP 65 N -1.44 0.32 0.07 4.39 -0.08 -0.59 -4.88 116.55 114.35 1odv n ASP 65 Ca 0.03 0.29 -0.22 0.00 -1.51 0.00 0.00 54.79 53.38 1odv n ASP 65 Cb 0.28 0.08 -0.12 0.00 2.34 0.00 0.00 41.12 43.69 1odv n ASP 65 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1odv h VAL 66 N 0.00 1.28 -2.14 5.18 2.07 -1.27 -3.38 116.25 117.99 1odv h VAL 66 Ca 0.00 -2.38 -0.54 0.00 0.82 0.00 0.00 66.70 64.59 1odv h VAL 66 Cb 0.00 2.60 -0.41 0.00 -1.52 0.00 0.00 31.29 31.96 1odv h VAL 66 CO 0.00 0.73 -0.90 0.00 0.02 0.00 0.00 177.57 177.42 1odv n ALA 67 N -2.67 3.35 0.28 1.67 0.00 0.98 -4.93 120.51 119.19 1odv n ALA 67 Ca -0.13 -4.07 0.14 0.00 0.00 0.00 0.00 53.44 49.38 1odv n ALA 67 Cb 0.95 -0.83 0.83 0.00 0.00 0.00 0.00 19.45 20.40 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 3.18 0.00 0.00 0.00 0.13 -1.73 -0.61 132.00 132.97 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 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1odv h PRO 68 CO 0.66 0.06 0.00 0.00 -0.23 0.00 0.00 178.00 178.49 1odv n THR 70 N -2.13 0.00 -2.56 0.00 -2.24 -0.23 -4.60 114.28 102.52 1odv n THR 70 Ca 0.01 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1odv n THR 70 Cb 0.15 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1odv n THR 70 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1odv n ASP 71 N -0.22 4.89 -3.91 3.42 -0.08 -0.46 -1.95 116.55 118.25 1odv n ASP 71 Ca 0.16 -2.93 -0.09 0.00 -1.51 0.00 0.00 54.79 50.42 1odv n ASP 71 Cb 0.34 -1.69 -0.09 0.00 2.34 0.00 0.00 41.12 42.03 1odv n ASP 71 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1odv s SER 72 N 3.65 0.16 0.39 1.67 1.04 -1.26 -4.96 113.70 114.38 1odv s SER 72 Ca 0.50 -0.55 0.06 0.00 0.48 0.00 0.00 55.95 56.44 1odv s SER 72 Cb 0.04 0.26 0.79 0.00 0.10 0.00 0.00 66.02 67.21 1odv s SER 72 CO 0.04 -0.56 2.04 1.55 0.98 0.00 0.00 173.24 177.29 1odv h PRO 73 N 3.43 0.64 0.00 4.02 0.13 -1.94 -0.45 132.00 137.82 1odv h PRO 73 Ca -0.33 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1odv h PRO 73 Cb 1.19 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1odv h PRO 73 CO 0.52 0.42 0.00 -0.85 -0.23 0.00 0.00 178.00 177.86 1odv n GLU 74 N -4.46 0.08 0.00 0.86 0.00 -1.26 -1.73 120.64 114.13 1odv n GLU 74 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1odv n GLU 74 Cb 0.07 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 29.91 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 -1.74 0.00 -0.27 -1.84 -0.00 -0.95 -4.56 117.46 108.09 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 0.34 0.00 0.18 0.00 -0.00 0.00 0.00 39.48 40.00 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 0.64 -0.49 -5.13 3.20 -0.63 -0.13 116.97 114.43 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 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1odv h TYR 76 CO 0.00 0.16 0.26 0.78 -1.64 0.00 0.00 178.16 177.72 1odv h GLY 77 N 0.56 0.74 1.33 1.82 0.00 -0.92 0.06 103.07 106.66 1odv h GLY 77 Ca 0.41 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1odv h GLY 77 CO -0.35 0.33 0.15 0.50 0.00 0.00 0.00 176.54 177.17 1odv h LYS 78 N 0.65 0.84 0.25 4.80 1.79 -0.79 -1.89 116.57 122.23 1odv h LYS 78 Ca 0.17 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1odv h LYS 78 Cb 0.06 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1odv h LYS 78 CO -0.03 0.75 -0.19 0.35 -1.08 0.00 0.00 179.45 179.24 1odv h PHE 79 N 0.81 -0.51 -0.85 -1.35 3.57 -0.53 -1.67 116.94 116.41 1odv h PHE 79 Ca 0.18 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1odv h PHE 79 Cb 0.27 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1odv h PHE 79 CO 0.02 -0.30 0.51 0.87 -2.23 0.00 0.00 178.31 177.18 1odv h LYS 80 N -0.45 1.16 -0.51 1.11 1.57 -0.77 0.13 116.57 118.81 1odv h LYS 80 Ca -0.02 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1odv h LYS 80 Cb 0.40 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1odv h LYS 80 CO -0.01 0.82 0.33 0.93 -0.57 0.00 0.00 179.45 180.95 1odv h GLU 81 N 1.18 0.65 -0.31 3.15 5.08 -1.20 -0.80 114.58 122.33 1odv h GLU 81 Ca 0.31 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.47 1odv h GLU 81 Cb -0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1odv h GLU 81 CO -0.06 0.43 -0.43 0.78 -1.00 0.00 0.00 179.01 178.74 1odv h GLY 82 N 0.67 0.86 0.98 -3.84 0.00 -0.74 -0.87 103.07 100.13 1odv h GLY 82 Ca 0.19 -0.90 0.01 0.00 0.00 0.00 0.00 47.33 46.62 1odv h GLY 82 CO -0.05 0.81 0.18 -2.08 0.00 0.00 0.00 176.54 175.41 1odv h VAL 83 N 0.64 1.06 -0.75 4.60 2.07 -0.79 -0.65 116.25 122.42 1odv h VAL 83 Ca 0.04 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1odv h VAL 83 Cb 1.00 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1odv h VAL 83 CO 0.10 0.07 0.48 0.00 0.02 0.00 0.00 177.57 178.23 1odv h ALA 84 N 1.11 0.97 0.00 1.67 0.00 -0.91 -3.07 119.26 119.03 1odv h ALA 84 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1odv h ALA 84 Cb -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1odv h ALA 84 CO -0.03 0.30 -0.65 -1.13 0.00 0.00 0.00 179.25 177.74 1odv n SER 85 N -4.61 0.61 -0.31 0.00 3.41 -0.35 -4.93 113.62 107.44 1odv n SER 85 Ca 0.08 -0.06 -0.04 0.00 -0.26 0.00 0.00 58.87 58.59 1odv n SER 85 Cb 0.06 0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 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 1.40 0.68 0.44 5.00 0.00 -0.28 -4.93 105.19 107.51 1odv n GLY 86 Ca 0.04 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.58 1odv n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1odv n ASN 87 N 0.65 1.70 -4.67 1.61 5.03 -1.07 -5.03 115.26 113.48 1odv n ASN 87 Ca -0.04 -3.12 -0.42 0.00 0.87 0.00 0.00 54.58 51.87 1odv n ASN 87 Cb 0.17 -0.42 -0.03 0.00 -1.02 0.00 0.00 39.78 38.48 1odv n ASN 87 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1odv s LEU 88 N -2.35 4.43 -0.35 3.41 2.96 -1.24 -4.91 118.68 120.63 1odv s LEU 88 Ca 0.30 2.71 -0.02 0.00 -0.22 0.00 0.00 54.13 56.89 1odv s LEU 88 Cb 0.28 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.62 1odv s LEU 88 CO -0.03 -1.04 0.87 0.21 -1.32 0.00 0.00 176.35 175.04 1odv s ASN 89 N 3.89 -0.86 0.04 3.68 3.84 -1.23 -1.66 114.94 122.63 1odv s ASN 89 Ca 0.86 -0.30 -0.08 0.00 0.21 0.00 0.00 52.86 53.54 1odv s ASN 89 Cb -0.44 1.20 0.00 0.00 -0.55 0.00 0.00 41.25 41.47 1odv s ASN 89 CO 0.40 -0.11 0.17 0.28 -2.79 0.00 0.00 177.10 175.05 1odv s THR 90 N 2.15 0.11 -0.01 -5.21 -1.32 -0.28 -5.01 115.64 106.08 1odv s THR 90 Ca 0.16 -0.94 0.04 0.00 -1.21 0.00 0.00 61.69 59.74 1odv s THR 90 Cb -0.01 -0.91 -0.01 0.00 -1.51 0.00 0.00 72.50 70.06 1odv s THR 90 CO -0.14 -0.52 -0.12 -0.04 -2.21 0.00 0.00 174.62 171.59 1odv s MET 91 N -2.58 1.01 0.11 7.08 -1.94 -1.26 -1.08 119.30 120.64 1odv s MET 91 Ca -0.05 -0.42 -0.25 0.00 -1.71 0.00 0.00 55.69 53.26 1odv s MET 91 Cb -0.01 -0.96 0.08 0.00 2.01 0.00 0.00 34.83 35.94 1odv s MET 91 CO -0.04 0.24 0.72 -0.59 -0.01 0.00 0.00 175.02 175.34 1odv s PHE 92 N -0.20 -0.43 0.21 -0.03 -0.71 -0.36 -5.00 117.98 111.45 1odv s PHE 92 Ca 0.03 0.23 -0.09 0.00 -1.04 0.00 0.00 56.93 56.06 1odv s PHE 92 Cb -0.05 0.57 -0.07 0.00 -1.21 0.00 0.00 43.02 42.25 1odv s PHE 92 CO -0.00 -0.77 0.51 -2.00 -1.34 0.00 0.00 175.22 171.61 1odv s GLU 93 N -3.53 3.76 0.12 1.99 2.12 -1.26 -0.15 118.70 121.75 1odv s GLU 93 Ca 0.04 0.19 -0.15 0.00 0.36 0.00 0.00 54.97 55.41 1odv s GLU 93 Cb -0.01 -2.69 0.03 0.00 0.26 0.00 0.00 34.13 31.71 1odv s GLU 93 CO -0.10 0.35 0.36 -0.47 -0.54 0.00 0.00 175.26 174.87 1odv s TYR 94 N -1.78 -0.13 -0.19 5.30 5.04 -0.39 -4.93 117.35 120.27 1odv s TYR 94 Ca 0.46 -0.21 -0.05 0.00 -2.44 0.00 0.00 57.07 54.83 1odv s TYR 94 Cb -0.11 0.20 -0.02 0.00 0.35 0.00 0.00 41.96 42.37 1odv s TYR 94 CO 0.22 -0.68 -0.01 0.99 -1.34 0.00 0.00 175.55 174.73 1odv s THR 95 N -3.82 3.89 -0.46 4.34 2.01 -1.26 -1.07 115.64 119.27 1odv s THR 95 Ca 0.04 -0.34 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 1odv s THR 95 Cb 0.02 -2.75 0.08 0.00 0.01 0.00 0.00 72.50 69.87 1odv s THR 95 CO -0.11 0.44 0.35 -0.36 -0.69 0.00 0.00 174.62 174.25 1odv s PHE 96 N 0.91 3.29 0.00 4.92 0.08 -0.19 -4.88 117.98 122.11 1odv s PHE 96 Ca 0.01 -1.20 0.00 0.00 0.12 0.00 0.00 56.93 55.85 1odv s PHE 96 Cb -0.14 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.15 1odv s PHE 96 CO 0.02 -0.84 0.67 -0.40 -0.10 0.00 0.00 175.22 174.57 1odv n ASP 97 N 5.09 0.70 -4.54 1.36 5.75 -1.26 -1.32 116.55 122.33 1odv n ASP 97 Ca -0.12 -1.35 -0.42 0.00 -0.01 0.00 0.00 54.79 52.90 1odv n ASP 97 Cb 0.43 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.45 1odv n ASP 97 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1odv s TYR 98 N -0.35 3.14 -1.52 2.11 5.04 -1.26 -4.28 117.35 120.24 1odv s TYR 98 Ca 0.00 0.11 -0.13 0.00 -2.44 0.00 0.00 57.07 54.61 1odv s TYR 98 Cb 0.00 -3.08 0.08 0.00 0.35 0.00 0.00 41.96 39.31 1odv s TYR 98 CO 0.00 -0.66 0.97 1.04 -1.34 0.00 0.00 175.55 175.56 1odv n GLN 99 N 5.93 -5.49 -3.47 4.97 6.02 -1.26 -4.95 117.38 119.13 1odv n GLN 99 Ca -0.03 0.60 -0.14 0.00 -0.01 0.00 0.00 57.00 57.41 1odv n GLN 99 Cb 0.48 -5.47 -0.04 0.00 1.02 0.00 0.00 30.24 26.24 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 -6.59 1.14 0.05 -1.09 0.23 -1.26 -4.95 119.30 106.82 1odv s MET 100 Ca 0.63 -0.12 -0.34 0.00 -1.03 0.00 0.00 55.69 54.83 1odv s MET 100 Cb -0.31 0.53 -0.13 0.00 -1.53 0.00 0.00 34.83 33.39 1odv s MET 100 CO 0.83 -0.44 1.71 2.41 -2.03 0.00 0.00 175.02 177.51 1odv n THR 101 N 0.24 0.26 -1.75 3.16 -1.04 -1.26 -4.71 114.28 109.18 1odv n THR 101 Ca -0.17 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.38 1odv n THR 101 Cb 0.61 -1.70 -0.01 0.00 -1.82 0.00 0.00 70.33 67.41 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 4.87 2.74 -3.79 -2.82 -0.02 -1.26 -4.81 135.00 129.90 1odv n PRO 102 Ca 0.19 0.97 -0.20 0.00 -2.02 0.00 0.00 63.50 62.45 1odv n PRO 102 Cb 0.29 -2.76 -0.17 0.00 -0.02 0.00 0.00 33.50 30.84 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 -0.12 0.15 0.18 3.45 2.01 -0.43 -5.00 115.64 115.87 1odv s THR 103 Ca 0.63 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 62.54 1odv s THR 103 Cb -0.49 -0.32 -0.08 0.00 0.01 0.00 0.00 72.50 71.63 1odv s THR 103 CO 0.50 0.19 1.16 -0.75 -0.69 0.00 0.00 174.62 175.03 1odv s LYS 104 N 1.72 4.53 0.13 4.92 2.20 -1.26 -1.02 119.74 130.95 1odv s LYS 104 Ca 0.00 1.80 0.03 0.00 -0.36 0.00 0.00 55.97 57.44 1odv s LYS 104 Cb -0.13 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1odv s LYS 104 CO -0.03 -0.03 -0.07 0.14 -0.36 0.00 0.00 175.35 175.00 1odv s VAL 105 N -0.08 0.86 -0.19 4.02 -7.23 -0.23 -1.76 120.40 115.78 1odv s VAL 105 Ca 0.52 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.64 1odv s VAL 105 Cb -0.31 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 1odv s VAL 105 CO 0.36 -0.77 0.03 -0.75 -0.31 0.00 0.00 175.10 173.66 1odv s LYS 106 N -3.82 3.80 -0.09 4.82 2.20 0.19 -1.26 119.74 125.58 1odv s LYS 106 Ca 0.15 -0.43 0.02 0.00 -0.36 0.00 0.00 55.97 55.35 1odv s LYS 106 Cb 0.04 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 1odv s LYS 106 CO -0.02 0.15 -0.15 0.08 -0.36 0.00 0.00 175.35 175.05 1odv s VAL 107 N 0.68 2.93 -0.21 4.02 1.01 0.79 -1.73 120.40 127.88 1odv s VAL 107 Ca 0.02 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1odv s VAL 107 Cb -0.14 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 34.12 1odv s VAL 107 CO 0.02 0.56 -0.09 -2.28 0.00 0.00 0.00 175.10 173.30 1odv s HIS 108 N -0.19 2.49 -0.08 5.22 2.46 -0.21 -1.22 115.29 123.77 1odv s HIS 108 Ca -0.00 -1.69 0.02 0.00 0.47 0.00 0.00 55.06 53.86 1odv s HIS 108 Cb -0.13 -1.66 -0.02 0.00 -0.13 0.00 0.00 32.58 30.64 1odv s HIS 108 CO 0.03 -0.76 -0.12 0.00 -2.47 0.00 0.00 174.74 171.42 1odv s MET 109 N 1.37 2.80 0.05 2.88 0.23 -0.24 -0.67 119.30 125.72 1odv s MET 109 Ca -0.03 -0.65 -0.24 0.00 -1.03 0.00 0.00 55.69 53.74 1odv s MET 109 Cb -0.17 -2.50 0.06 0.00 -1.53 0.00 0.00 34.83 30.69 1odv s MET 109 CO -0.08 0.53 0.56 -1.59 -2.03 0.00 0.00 175.02 172.41 1odv s LYS 110 N -0.47 1.09 0.38 3.16 -2.85 -0.12 -1.13 119.74 119.80 1odv s LYS 110 Ca 0.06 -0.20 -0.27 0.00 -1.00 0.00 0.00 55.97 54.55 1odv s LYS 110 Cb -0.12 0.50 -0.10 0.00 -2.06 0.00 0.00 37.83 36.05 1odv s LYS 110 CO 0.02 -0.40 1.35 0.21 0.10 0.00 0.00 175.35 176.63 1odv s LYS 111 N -2.51 4.11 0.66 1.78 2.20 -0.67 -0.44 119.74 124.88 1odv s LYS 111 Ca -0.05 2.29 -0.08 0.00 -0.36 0.00 0.00 55.97 57.77 1odv s LYS 111 Cb -0.01 -2.91 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1odv s LYS 111 CO -0.02 -0.42 1.00 0.00 -0.36 0.00 0.00 175.35 175.55 1odv s ALA 112 N -1.18 3.10 0.09 3.13 0.00 -0.30 -4.79 121.76 121.80 1odv s ALA 112 Ca 0.53 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.73 1odv s ALA 112 Cb -0.41 -2.78 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 1odv s ALA 112 CO 0.54 -1.04 1.50 -0.07 0.00 0.00 0.00 175.76 176.69 1odv h LEU 113 N -0.46 0.51-10.31 0.00 3.38 -1.96 -3.46 115.31 103.02 1odv h LEU 113 Ca -0.45 -0.35 -0.51 0.00 0.09 0.00 0.00 57.88 56.66 1odv h LEU 113 Cb 1.27 -0.14 0.15 0.00 0.09 0.00 0.00 40.66 42.02 1odv h LEU 113 CO 0.62 0.74 0.28 -0.94 0.09 0.00 0.00 178.44 179.24 1odv s SER 114 N -6.08 3.97 0.27 -0.43 1.04 -1.26 -4.96 113.70 106.26 1odv s SER 114 Ca -0.13 1.82 -0.30 0.00 0.48 0.00 0.00 55.95 57.82 1odv s SER 114 Cb 0.08 -2.46 -0.11 0.00 0.10 0.00 0.00 66.02 63.63 1odv s SER 114 CO 0.77 -2.37 1.50 -0.83 0.98 0.00 0.00 173.24 173.28 1odv s GLY 115 N -3.26 2.29 -1.40 7.32 0.00 -1.26 -3.64 107.32 107.37 1odv s GLY 115 Ca 0.63 1.43 -0.00 0.00 0.00 0.00 0.00 44.72 46.78 1odv s GLY 115 CO 0.57 2.38 0.43 1.34 0.00 0.00 0.00 173.10 177.81 1odv n ASP 116 N 2.14 -0.35 -3.81 1.64 2.03 -1.26 -4.96 116.55 111.98 1odv n ASP 116 Ca 0.07 -1.00 -0.13 0.00 0.52 0.00 0.00 54.79 54.25 1odv n ASP 116 Cb 0.39 -3.10 -0.13 0.00 -0.72 0.00 0.00 41.12 37.56 1odv n ASP 116 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1odv s SER 117 N -4.37 -0.13 -0.01 1.67 0.01 -1.24 -4.03 113.70 105.60 1odv s SER 117 Ca 0.00 0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.54 1odv s SER 117 Cb -0.00 0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.49 1odv s SER 117 CO 0.89 -0.07 -0.01 -0.31 0.41 0.00 0.00 173.24 174.15 1odv s TYR 118 N 0.29 0.26 -0.10 2.43 1.51 0.36 -1.15 117.35 120.96 1odv s TYR 118 Ca -0.02 -0.02 -0.07 0.00 -1.01 0.00 0.00 57.07 55.95 1odv s TYR 118 Cb -0.03 -0.26 -0.04 0.00 -0.11 0.00 0.00 41.96 41.52 1odv s TYR 118 CO -0.01 -0.06 0.16 -1.58 -1.11 0.00 0.00 175.55 172.95 1odv s TRP 119 N 0.42 3.60 -0.23 2.71 0.52 0.41 0.02 118.94 126.40 1odv s TRP 119 Ca -0.04 0.52 0.02 0.00 0.02 0.00 0.00 56.10 56.62 1odv s TRP 119 Cb -0.07 -1.94 0.04 0.00 -1.15 0.00 0.00 33.47 30.36 1odv s TRP 119 CO -0.01 0.72 -0.14 0.08 0.02 0.00 0.00 176.95 177.62 1odv s VAL 120 N -1.08 2.22 -0.14 4.03 1.01 0.18 -0.95 120.40 125.67 1odv s VAL 120 Ca 0.17 -1.31 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 1odv s VAL 120 Cb -0.12 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1odv s VAL 120 CO 0.07 0.21 0.02 -0.36 0.00 0.00 0.00 175.10 175.03 1odv s PHE 121 N 1.20 3.17 -0.06 5.22 0.08 0.15 -1.05 117.98 126.69 1odv s PHE 121 Ca -0.03 0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.08 1odv s PHE 121 Cb -0.17 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.36 1odv s PHE 121 CO -0.08 0.24 -0.12 0.08 -0.10 0.00 0.00 175.22 175.24 1odv s VAL 122 N -0.15 1.10 -0.02 -0.44 1.01 -0.18 -1.04 120.40 120.68 1odv s VAL 122 Ca 0.05 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1odv s VAL 122 Cb -0.12 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 1odv s VAL 122 CO 0.02 0.34 -0.12 -0.75 0.00 0.00 0.00 175.10 174.59 1odv s LYS 123 N 0.55 1.10 0.31 2.72 2.20 -0.71 -0.43 119.74 125.49 1odv s LYS 123 Ca -0.12 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 1odv s LYS 123 Cb -0.14 -1.03 -0.10 0.00 -1.51 0.00 0.00 37.83 35.04 1odv s LYS 123 CO 0.03 0.20 1.32 1.03 -0.36 0.00 0.00 175.35 177.58 1odv s ARG 124 N -0.06 4.35 0.00 4.03 0.52 -1.26 -0.64 118.95 125.89 1odv s ARG 124 Ca 0.00 2.21 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 1odv s ARG 124 Cb -0.07 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.31 1odv s ARG 124 CO 0.00 -0.22 0.18 1.33 0.02 0.00 0.00 175.30 176.61