#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgx h LEU 9 N 0.00 0.32 -9.77 -4.62 5.85 -2.11 -3.47 115.31 101.52 1pgx h LEU 9 Ca 0.00 -0.40 -0.57 0.00 0.84 0.00 0.00 57.88 57.75 1pgx h LEU 9 Cb 0.00 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 1pgx h LEU 9 CO 0.00 1.32 -0.56 0.42 -0.34 0.00 0.00 178.44 179.28 1pgx s THR 10 N -2.64 4.49 0.14 1.05 -4.23 -1.26 -5.06 115.64 108.13 1pgx s THR 10 Ca -0.05 -1.09 -0.34 0.00 -1.18 0.00 0.00 61.69 59.03 1pgx s THR 10 Cb 0.07 -3.29 -0.14 0.00 1.34 0.00 0.00 72.50 70.48 1pgx s THR 10 CO 0.86 -0.11 1.54 -2.65 -0.54 0.00 0.00 174.62 173.72 1pgx n PRO 11 N -0.36 1.97 -3.17 3.99 -0.02 -1.26 -4.93 135.00 131.21 1pgx n PRO 11 Ca -0.08 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 1pgx n PRO 11 Cb 0.55 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 1pgx n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pgx s ALA 12 N 0.94 3.51 0.02 3.55 0.00 -1.26 -5.06 121.76 123.46 1pgx s ALA 12 Ca 0.80 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1pgx s ALA 12 Cb -0.73 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 1pgx s ALA 12 CO 0.40 -1.12 0.04 0.14 0.00 0.00 0.00 175.76 175.22 1pgx s VAL 13 N 2.52 4.37 0.11 0.00 -7.23 -1.26 -4.57 120.40 114.34 1pgx s VAL 13 Ca 0.22 -0.60 0.07 0.00 -1.81 0.00 0.00 61.98 59.87 1pgx s VAL 13 Cb -0.15 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 1pgx s VAL 13 CO 0.12 0.31 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.25 1pgx s THR 14 N -1.18 3.40 -0.15 5.32 2.01 -0.05 -4.91 115.64 120.07 1pgx s THR 14 Ca 0.22 -1.30 -0.16 0.00 0.31 0.00 0.00 61.69 60.77 1pgx s THR 14 Cb -0.12 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1pgx s THR 14 CO 0.14 0.08 0.37 -0.89 -0.69 0.00 0.00 174.62 173.63 1pgx s THR 15 N -1.29 5.25 0.22 -0.82 2.01 -1.26 -1.54 115.64 118.21 1pgx s THR 15 Ca 0.22 0.71 0.11 0.00 0.31 0.00 0.00 61.69 63.04 1pgx s THR 15 Cb -0.11 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1pgx s THR 15 CO 0.14 0.35 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.94 1pgx s TYR 16 N 0.66 2.44 0.16 4.92 1.51 0.98 -4.90 117.35 123.12 1pgx s TYR 16 Ca 0.20 -0.30 0.10 0.00 -1.01 0.00 0.00 57.07 56.06 1pgx s TYR 16 Cb -0.14 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 1pgx s TYR 16 CO 0.07 0.57 -0.23 0.15 -1.11 0.00 0.00 175.55 174.99 1pgx s LYS 17 N -3.01 1.38 -0.05 -0.62 1.02 -0.16 -1.74 119.74 116.55 1pgx s LYS 17 Ca 0.25 -1.41 0.02 0.00 0.02 0.00 0.00 55.97 54.85 1pgx s LYS 17 Cb -0.07 -1.68 0.02 0.00 -0.52 0.00 0.00 37.83 35.57 1pgx s LYS 17 CO 0.14 0.37 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.69 1pgx s LEU 18 N -2.42 1.48 -0.18 3.17 2.96 0.17 -0.58 118.68 123.28 1pgx s LEU 18 Ca 0.16 -0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 53.82 1pgx s LEU 18 Cb -0.08 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.98 1pgx s LEU 18 CO 0.07 -0.01 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.40 1pgx s VAL 19 N 0.78 4.09 -0.22 1.68 1.01 0.24 -1.59 120.40 126.39 1pgx s VAL 19 Ca -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1pgx s VAL 19 Cb -0.15 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1pgx s VAL 19 CO 0.02 0.46 -0.03 -0.63 0.00 0.00 0.00 175.10 174.91 1pgx s ILE 20 N 0.60 3.44 -0.80 2.22 1.09 0.73 -1.08 121.20 127.40 1pgx s ILE 20 Ca -0.01 -0.48 0.02 0.00 -1.10 0.00 0.00 60.65 59.09 1pgx s ILE 20 Cb -0.14 -2.57 0.22 0.00 -1.06 0.00 0.00 42.46 38.91 1pgx s ILE 20 CO 0.02 0.41 0.73 -3.20 -0.10 0.00 0.00 174.94 172.81 1pgx n ASN 21 N 4.81 3.89 -4.87 3.58 4.05 -0.00 -2.03 115.26 124.69 1pgx n ASN 21 Ca -0.18 -3.24 -0.24 0.00 0.45 0.00 0.00 54.58 51.37 1pgx n ASN 21 Cb 0.51 -0.90 -0.03 0.00 1.23 0.00 0.00 39.78 40.59 1pgx n ASN 21 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1pgx s GLY 22 N -1.15 2.25 0.04 8.20 0.00 -0.55 -1.10 107.32 115.01 1pgx s GLY 22 Ca 0.29 -1.70 -0.25 0.00 0.00 0.00 0.00 44.72 43.07 1pgx s GLY 22 CO -0.10 -1.83 1.51 1.70 0.00 0.00 0.00 173.10 174.37 1pgx h LYS 23 N 0.96 -0.05 0.00 2.90 3.64 -1.97 -3.39 116.57 118.67 1pgx h LYS 23 Ca -0.39 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1pgx h LYS 23 Cb 1.28 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1pgx h LYS 23 CO 0.59 0.18 -1.02 0.25 -2.27 0.00 0.00 179.45 177.18 1pgx n THR 24 N -5.00 0.01 -3.57 1.00 -2.24 -1.26 -4.98 114.28 98.23 1pgx n THR 24 Ca -0.08 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 1pgx n THR 24 Cb 0.15 -0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 1pgx n THR 24 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1pgx s LEU 25 N -3.38 4.26 0.01 3.22 2.96 -1.26 -5.07 118.68 119.42 1pgx s LEU 25 Ca -0.00 0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1pgx s LEU 25 Cb 0.00 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1pgx s LEU 25 CO 0.02 0.14 0.05 -0.54 -1.32 0.00 0.00 176.35 174.69 1pgx s LYS 26 N 0.30 0.40 0.00 1.98 1.02 -1.26 -1.48 119.74 120.70 1pgx s LYS 26 Ca 0.16 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.62 1pgx s LYS 26 Cb -0.13 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 1pgx s LYS 26 CO 0.04 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1pgx n GLY 27 N 1.49 0.80 3.08 -3.33 0.00 -0.86 -4.94 105.19 101.42 1pgx n GLY 27 Ca -0.23 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 1pgx n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pgx s GLU 28 N -1.53 0.36 0.25 1.61 2.12 -1.26 -0.20 118.70 120.05 1pgx s GLU 28 Ca 0.00 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.19 1pgx s GLU 28 Cb 0.00 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 1pgx s GLU 28 CO 0.00 -0.08 0.20 -0.08 -0.54 0.00 0.00 175.26 174.76 1pgx s THR 29 N -0.79 0.00 0.20 -1.70 -1.32 -0.62 -5.00 115.64 106.41 1pgx s THR 29 Ca -0.09 -1.98 -0.01 0.00 -1.21 0.00 0.00 61.69 58.41 1pgx s THR 29 Cb -0.05 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.40 1pgx s THR 29 CO 0.01 0.00 0.12 0.42 -2.21 0.00 0.00 174.62 172.96 1pgx s THR 30 N -3.89 0.07 0.07 5.08 -4.23 -1.26 -0.65 115.64 110.83 1pgx s THR 30 Ca 0.39 -1.99 -0.17 0.00 -1.18 0.00 0.00 61.69 58.74 1pgx s THR 30 Cb 0.05 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.45 1pgx s THR 30 CO 0.17 -0.04 0.40 0.28 -0.54 0.00 0.00 174.62 174.89 1pgx s THR 31 N -4.10 0.06 -0.10 3.99 -1.32 -0.71 -4.99 115.64 108.46 1pgx s THR 31 Ca 0.38 -0.53 0.01 0.00 -1.21 0.00 0.00 61.69 60.33 1pgx s THR 31 Cb 0.07 -1.04 -0.02 0.00 -1.51 0.00 0.00 72.50 70.00 1pgx s THR 31 CO 0.11 -0.29 -0.12 -0.54 -2.21 0.00 0.00 174.62 171.57 1pgx s LYS 32 N -2.98 3.12 0.13 7.08 1.02 -1.26 -0.01 119.74 126.83 1pgx s LYS 32 Ca -0.02 -0.66 -0.09 0.00 0.02 0.00 0.00 55.97 55.22 1pgx s LYS 32 Cb 0.00 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 1pgx s LYS 32 CO -0.06 0.37 0.24 0.00 -0.92 0.00 0.00 175.35 174.98 1pgx s ALA 33 N -0.04 -0.09 0.26 5.17 0.00 -0.59 -4.94 121.76 121.53 1pgx s ALA 33 Ca -0.02 -0.77 0.12 0.00 0.00 0.00 0.00 51.96 51.29 1pgx s ALA 33 Cb -0.14 0.69 0.43 0.00 0.00 0.00 0.00 23.12 24.11 1pgx s ALA 33 CO 0.04 -0.58 1.65 -0.39 0.00 0.00 0.00 175.76 176.47 1pgx h VAL 34 N 2.64 1.33 -3.38 0.00 -1.51 -1.86 -0.11 116.25 113.37 1pgx h VAL 34 Ca -0.33 -1.97 -0.02 0.00 -1.23 0.00 0.00 66.70 63.15 1pgx h VAL 34 Cb 1.22 2.08 -0.06 0.00 -2.13 0.00 0.00 31.29 32.39 1pgx h VAL 34 CO 0.52 0.55 0.05 1.51 -1.23 0.00 0.00 177.57 178.97 1pgx s ASP 35 N -6.78 -0.06 0.30 4.19 1.47 -1.26 -4.76 116.67 109.77 1pgx s ASP 35 Ca -0.01 -0.88 0.02 0.00 1.18 0.00 0.00 52.55 52.85 1pgx s ASP 35 Cb 0.12 0.68 0.47 0.00 -0.34 0.00 0.00 42.92 43.85 1pgx s ASP 35 CO 0.75 -1.29 1.81 0.00 0.68 0.00 0.00 175.17 177.11 1pgx h ALA 36 N 2.12 1.23 -0.46 2.11 0.00 -1.99 -2.58 119.26 119.69 1pgx h ALA 36 Ca -0.24 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1pgx h ALA 36 Cb 1.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1pgx h ALA 36 CO 0.32 0.51 0.15 0.93 0.00 0.00 0.00 179.25 181.15 1pgx h GLU 37 N 0.59 0.71 -0.66 0.00 4.39 -1.99 -0.37 114.58 117.25 1pgx h GLU 37 Ca 0.12 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1pgx h GLU 37 Cb 0.42 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1pgx h GLU 37 CO 0.02 0.68 0.30 1.15 -1.16 0.00 0.00 179.01 179.99 1pgx h THR 38 N 0.60 1.23 -0.65 1.13 2.02 -1.94 -2.15 112.91 113.16 1pgx h THR 38 Ca 0.15 -0.67 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 1pgx h THR 38 Cb 0.26 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1pgx h THR 38 CO -0.01 0.27 0.12 0.00 0.37 0.00 0.00 175.52 176.27 1pgx h ALA 39 N 1.13 0.98 -0.24 6.16 0.00 -1.23 -1.85 119.26 124.22 1pgx h ALA 39 Ca 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pgx h ALA 39 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1pgx h ALA 39 CO -0.03 0.64 0.12 1.49 0.00 0.00 0.00 179.25 181.48 1pgx h GLU 40 N 0.99 0.35 -0.72 0.00 4.81 -0.79 -1.26 114.58 117.95 1pgx h GLU 40 Ca 0.20 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1pgx h GLU 40 Cb 0.41 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1pgx h GLU 40 CO 0.01 0.36 0.44 0.87 -0.73 0.00 0.00 179.01 179.95 1pgx h LYS 41 N 0.26 0.98 -0.63 1.92 6.56 -1.18 0.10 116.57 124.58 1pgx h LYS 41 Ca 0.08 -0.09 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 1pgx h LYS 41 Cb 0.12 -0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 31.55 1pgx h LYS 41 CO -0.01 0.70 0.05 0.00 -2.06 0.00 0.00 179.45 178.13 1pgx h ALA 42 N 1.23 0.89 -0.26 3.86 0.00 -1.05 -1.69 119.26 122.25 1pgx h ALA 42 Ca 0.26 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1pgx h ALA 42 Cb -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1pgx h ALA 42 CO -0.05 0.66 -0.35 0.74 0.00 0.00 0.00 179.25 180.26 1pgx h PHE 43 N 0.99 0.85 -0.64 0.00 0.04 -0.97 -1.46 116.94 115.75 1pgx h PHE 43 Ca 0.19 -0.28 -0.08 0.00 2.80 0.00 0.00 57.97 60.60 1pgx h PHE 43 Cb 0.50 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1pgx h PHE 43 CO 0.04 1.04 0.08 0.87 -0.60 0.00 0.00 178.31 179.73 1pgx h LYS 44 N 0.42 1.07 0.00 1.51 1.57 -0.65 -0.53 116.57 119.96 1pgx h LYS 44 Ca 0.03 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1pgx h LYS 44 Cb 0.93 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1pgx h LYS 44 CO 0.08 1.00 -0.00 0.37 -0.57 0.00 0.00 179.45 180.33 1pgx h GLN 45 N 0.98 -0.00 -0.39 3.15 4.15 -1.29 -1.66 115.11 120.05 1pgx h GLN 45 Ca 0.19 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.68 1pgx h GLN 45 Cb 0.46 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 1pgx h GLN 45 CO 0.02 0.19 0.01 -0.92 -1.93 0.00 0.00 178.83 176.19 1pgx h TYR 46 N -0.19 0.00 0.37 3.99 3.20 -1.18 0.23 116.97 123.39 1pgx h TYR 46 Ca -0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1pgx h TYR 46 Cb 0.19 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1pgx h TYR 46 CO -0.01 -0.06 -0.18 0.00 -1.64 0.00 0.00 178.16 176.27 1pgx h ALA 47 N 1.33 -0.49 -0.33 1.82 0.00 -0.92 -2.33 119.26 118.33 1pgx h ALA 47 Ca 0.19 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1pgx h ALA 47 Cb 0.26 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1pgx h ALA 47 CO -0.31 -0.77 0.13 -0.97 0.00 0.00 0.00 179.25 177.34 1pgx h ASN 48 N -0.51 0.17 -0.78 0.00 -0.73 -1.07 -0.30 115.58 112.37 1pgx h ASN 48 Ca -0.05 0.03 0.17 0.00 1.87 0.00 0.00 56.30 58.31 1pgx h ASN 48 Cb 0.39 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.93 1pgx h ASN 48 CO 0.08 0.13 0.52 0.44 -0.37 0.00 0.00 177.43 178.24 1pgx h ASP 49 N 0.29 0.35 -0.49 1.15 3.32 -0.77 -0.57 116.42 119.69 1pgx h ASP 49 Ca 0.15 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1pgx h ASP 49 Cb 0.10 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1pgx h ASP 49 CO -0.13 0.17 0.00 0.59 -1.72 0.00 0.00 179.24 178.15 1pgx n ASN 50 N -4.47 2.62 -0.90 6.45 3.02 -0.72 -4.95 115.26 116.32 1pgx n ASN 50 Ca 0.15 -2.00 -0.09 0.00 -0.03 0.00 0.00 54.58 52.61 1pgx n ASN 50 Cb 0.59 -0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 1pgx n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pgx n GLY 51 N 1.28 0.50 3.27 7.41 0.00 -0.22 -4.98 105.19 112.45 1pgx n GLY 51 Ca 0.16 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1pgx n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pgx s VAL 52 N -2.41 3.07 -0.01 1.61 1.01 -0.20 -4.99 120.40 118.48 1pgx s VAL 52 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1pgx s VAL 52 Cb 0.00 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1pgx s VAL 52 CO 0.00 0.46 -0.01 -1.81 0.00 0.00 0.00 175.10 173.73 1pgx s ASP 53 N 1.36 0.23 0.00 3.32 1.01 -1.26 -2.66 116.67 118.67 1pgx s ASP 53 Ca 0.05 -0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.28 1pgx s ASP 53 Cb -0.14 -0.06 0.00 0.00 1.01 0.00 0.00 42.92 43.73 1pgx s ASP 53 CO -0.05 -0.01 0.00 0.61 0.21 0.00 0.00 175.17 175.93 1pgx n GLY 54 N 3.30 1.45 3.81 0.21 0.00 -1.26 -2.44 105.19 110.26 1pgx n GLY 54 Ca -0.16 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1pgx n GLY 54 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pgx s VAL 55 N -1.14 4.92 0.22 1.61 -7.23 -0.44 -4.90 120.40 113.44 1pgx s VAL 55 Ca 0.00 -0.26 0.10 0.00 -1.81 0.00 0.00 61.98 60.01 1pgx s VAL 55 Cb 0.00 -3.22 -0.05 0.00 0.56 0.00 0.00 36.38 33.67 1pgx s VAL 55 CO 0.00 0.41 -0.18 0.26 -0.31 0.00 0.00 175.10 175.28 1pgx s TRP 56 N -1.16 1.99 0.09 2.82 0.52 -1.26 -0.58 118.94 121.36 1pgx s TRP 56 Ca 0.21 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.91 1pgx s TRP 56 Cb -0.12 -0.92 -0.04 0.00 -1.15 0.00 0.00 33.47 31.24 1pgx s TRP 56 CO 0.12 0.48 -0.07 0.95 0.02 0.00 0.00 176.95 178.45 1pgx s THR 57 N -2.46 0.70 -0.03 2.01 -4.23 -0.22 -4.98 115.64 106.44 1pgx s THR 57 Ca 0.23 -1.81 -0.02 0.00 -1.18 0.00 0.00 61.69 58.91 1pgx s THR 57 Cb -0.04 -1.53 0.02 0.00 1.34 0.00 0.00 72.50 72.29 1pgx s THR 57 CO 0.10 -0.79 0.08 -0.47 -0.54 0.00 0.00 174.62 172.99 1pgx s TYR 58 N -3.27 -0.07 -0.22 3.99 5.04 -1.26 -0.95 117.35 120.61 1pgx s TYR 58 Ca 0.09 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1pgx s TYR 58 Cb 0.03 -0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.31 1pgx s TYR 58 CO -0.04 -0.07 -0.13 0.34 -1.34 0.00 0.00 175.55 174.31 1pgx s ASP 59 N 0.49 3.82 0.46 4.32 -1.08 0.11 -4.97 116.67 119.81 1pgx s ASP 59 Ca -0.04 -0.84 0.26 0.00 -0.52 0.00 0.00 52.55 51.41 1pgx s ASP 59 Cb -0.05 -1.57 0.99 0.00 -1.46 0.00 0.00 42.92 40.83 1pgx s ASP 59 CO -0.02 -0.08 1.85 -0.78 0.52 0.00 0.00 175.17 176.67 1pgx h ASP 60 N 7.94 0.00 -0.29 -0.34 3.58 -1.97 0.22 116.42 125.57 1pgx h ASP 60 Ca -0.37 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 56.94 1pgx h ASP 60 Cb 1.11 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 1pgx h ASP 60 CO 0.58 0.17 -0.35 0.00 -2.88 0.00 0.00 179.24 176.77 1pgx h ALA 61 N 1.83 0.71 -0.02 -0.78 0.00 -1.96 -3.29 119.26 115.75 1pgx h ALA 61 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1pgx h ALA 61 Cb 0.71 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1pgx h ALA 61 CO 0.02 0.66 -0.18 0.25 0.00 0.00 0.00 179.25 180.01 1pgx n THR 62 N -4.06 0.00 -3.84 0.00 -2.24 -1.02 -4.97 114.28 98.14 1pgx n THR 62 Ca -0.01 -0.41 -0.27 0.00 -2.27 0.00 0.00 64.05 61.09 1pgx n THR 62 Cb 0.51 1.27 0.03 0.00 -2.10 0.00 0.00 70.33 70.03 1pgx n THR 62 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pgx n LYS 63 N 0.38 -5.21 -4.84 -0.78 4.76 0.74 -4.82 118.16 108.38 1pgx n LYS 63 Ca 0.08 0.60 -0.27 0.00 -2.87 0.00 0.00 58.31 55.85 1pgx n LYS 63 Cb 0.38 -5.34 -0.16 0.00 -1.84 0.00 0.00 35.03 28.07 1pgx n LYS 63 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1pgx s THR 64 N -3.46 1.48 0.05 -0.18 2.01 -0.92 -0.99 115.64 113.63 1pgx s THR 64 Ca 0.40 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1pgx s THR 64 Cb -0.20 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1pgx s THR 64 CO 0.83 0.43 0.09 -0.36 -0.69 0.00 0.00 174.62 174.92 1pgx s PHE 65 N 0.36 3.25 -0.01 4.92 0.40 0.25 0.04 117.98 127.20 1pgx s PHE 65 Ca -0.12 0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1pgx s PHE 65 Cb -0.15 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 1pgx s PHE 65 CO 0.05 0.54 -0.12 0.99 0.70 0.00 0.00 175.22 177.37 1pgx s THR 66 N -1.33 0.97 -0.05 0.64 2.01 -0.13 -0.59 115.64 117.16 1pgx s THR 66 Ca 0.28 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1pgx s THR 66 Cb -0.12 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 1pgx s THR 66 CO 0.20 0.27 -0.20 0.54 -0.69 0.00 0.00 174.62 174.74 1pgx s VAL 67 N -0.28 1.66 -0.20 3.82 0.11 -0.24 -1.05 120.40 124.22 1pgx s VAL 67 Ca 0.05 -0.85 -0.01 0.00 -2.93 0.00 0.00 61.98 58.24 1pgx s VAL 67 Cb -0.05 -1.41 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1pgx s VAL 67 CO -0.00 0.47 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.21 1pgx s THR 68 N -0.05 2.60 0.38 5.04 2.01 0.25 -0.82 115.64 125.05 1pgx s THR 68 Ca -0.03 -0.76 -0.25 0.00 0.31 0.00 0.00 61.69 60.96 1pgx s THR 68 Cb -0.12 -2.13 -0.09 0.00 0.01 0.00 0.00 72.50 70.16 1pgx s THR 68 CO 0.03 0.49 1.09 -0.70 -0.69 0.00 0.00 174.62 174.84 1pgx s GLU 69 N 1.35 4.22 -0.23 4.92 2.12 -0.26 -1.32 118.70 129.49 1pgx s GLU 69 Ca 0.05 1.64 -0.07 0.00 0.36 0.00 0.00 54.97 56.95 1pgx s GLU 69 Cb -0.14 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 1pgx s GLU 69 CO -0.09 -0.12 0.07 -1.64 -0.54 0.00 0.00 175.26 172.93 1pgx s MET 70 N -2.26 3.71 0.30 4.30 -1.94 -1.02 -4.83 119.30 117.56 1pgx s MET 70 Ca 0.55 -0.46 -0.29 0.00 -1.71 0.00 0.00 55.69 53.79 1pgx s MET 70 Cb -0.26 -3.29 -0.10 0.00 2.01 0.00 0.00 34.83 33.19 1pgx s MET 70 CO 0.33 -0.09 1.13 0.14 -0.01 0.00 0.00 175.02 176.51 1pgx s VAL 71 N 1.36 3.37 -0.43 -6.03 -7.23 -1.26 -4.90 120.40 105.28 1pgx s VAL 71 Ca 0.05 1.35 -0.09 0.00 -1.81 0.00 0.00 61.98 61.48 1pgx s VAL 71 Cb -0.15 -3.85 0.09 0.00 0.56 0.00 0.00 36.38 33.04 1pgx s VAL 71 CO 0.03 0.30 0.28 -0.89 -0.31 0.00 0.00 175.10 174.51 1pgx s THR 72 N -1.20 4.16 0.29 5.32 2.01 -1.26 -5.07 115.64 119.88 1pgx s THR 72 Ca 0.47 -1.53 0.08 0.00 0.31 0.00 0.00 61.69 61.01 1pgx s THR 72 Cb -0.32 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1pgx s THR 72 CO 0.42 -0.58 0.17 -1.83 -0.69 0.00 0.00 174.62 172.11 1pgx s GLU 73 N 1.39 2.66 0.23 4.92 -1.05 -1.26 -5.14 118.70 120.45 1pgx s GLU 73 Ca 0.04 -1.27 0.08 0.00 -0.15 0.00 0.00 54.97 53.67 1pgx s GLU 73 Cb -0.24 -2.40 -0.04 0.00 -0.44 0.00 0.00 34.13 31.02 1pgx s GLU 73 CO 0.01 0.27 0.05 0.14 0.95 0.00 0.00 175.26 176.68 1pgx s VAL 74 N -2.26 3.79 0.79 1.83 -7.23 -1.26 -5.11 120.40 110.95 1pgx s VAL 74 Ca 0.35 -1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 58.78 1pgx s VAL 74 Cb -0.06 -3.00 0.07 0.00 0.56 0.00 0.00 36.38 33.95 1pgx s VAL 74 CO 0.24 -0.28 1.15 -2.84 -0.31 0.00 0.00 175.10 173.05 1pgx s PRO 75 N -3.47 1.91 -0.36 4.82 0.02 -1.26 -5.02 135.00 131.63 1pgx s PRO 75 Ca 0.31 1.49 0.13 0.00 0.02 0.00 0.00 61.00 62.95 1pgx s PRO 75 Cb -0.08 -1.83 0.38 0.00 0.02 0.00 0.00 34.50 32.99 1pgx s PRO 75 CO 0.21 -1.95 0.80 1.55 -0.33 0.00 0.00 177.00 177.27 1pgx n VAL 76 N -3.35 0.26 1.54 3.83 3.14 -1.26 -5.35 118.33 117.14 1pgx n VAL 76 Ca 0.11 -4.22 0.12 0.00 -2.96 0.00 0.00 64.34 57.40 1pgx n VAL 76 Cb 0.52 -0.06 0.73 0.00 -1.06 0.00 0.00 33.84 33.97 1pgx n VAL 76 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37