#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgx s PRO 7 N 0.00 1.88 0.00 0.00 0.02 -1.26 -1.40 135.00 134.24 1rgx s PRO 7 Ca 0.00 0.38 0.00 0.00 0.02 0.00 0.00 61.00 61.40 1rgx s PRO 7 Cb 0.00 -4.82 0.00 0.00 0.02 0.00 0.00 34.50 29.70 1rgx s PRO 7 CO 0.00 -4.08 0.00 -0.89 -0.33 0.00 0.00 177.00 171.70 1rgx n ILE 8 N 8.49 0.00 0.20 2.83 5.41 -1.26 -4.81 119.36 130.21 1rgx n ILE 8 Ca 0.44 0.00 0.08 0.00 1.00 0.00 0.00 62.75 64.27 1rgx n ILE 8 Cb 0.45 0.00 0.28 0.00 -0.71 0.00 0.00 39.64 39.66 1rgx n ILE 8 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1rgx h ASP 9 N 0.00 0.00 -0.01 4.38 3.32 -1.98 -0.11 116.42 122.03 1rgx h ASP 9 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rgx h ASP 9 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1rgx h ASP 9 CO 0.00 0.28 -0.00 1.05 -1.72 0.00 0.00 179.24 178.85 1rgx h GLU 10 N 0.00 0.01 0.11 3.56 -0.00 -1.55 -3.31 114.58 113.40 1rgx h GLU 10 Ca -0.00 -0.01 -0.27 0.00 -0.00 0.00 0.00 59.36 59.09 1rgx h GLU 10 Cb 0.99 -0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.74 1rgx h GLU 10 CO 0.04 0.44 -1.18 0.00 -0.00 0.00 0.00 179.01 178.30 1rgx h ALA 11 N 0.58 0.15 -0.60 1.06 0.00 -1.82 -3.25 119.26 115.37 1rgx h ALA 11 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.04 1rgx h ALA 11 Cb 0.43 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1rgx h ALA 11 CO 0.00 0.92 0.25 0.82 0.00 0.00 0.00 179.25 181.24 1rgx h ILE 12 N 0.11 1.23 -0.44 0.00 1.08 -1.18 -2.11 117.51 116.20 1rgx h ILE 12 Ca -0.13 -0.70 -0.06 0.00 -0.39 0.00 0.00 64.86 63.59 1rgx h ILE 12 Cb 1.89 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 1rgx h ILE 12 CO 0.20 0.27 0.03 0.44 -0.69 0.00 0.00 178.15 178.40 1rgx h ASP 13 N 0.83 0.66 -0.49 1.72 3.32 -1.66 -1.16 116.42 119.62 1rgx h ASP 13 Ca 0.20 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1rgx h ASP 13 Cb 0.19 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1rgx h ASP 13 CO -0.02 0.71 -0.06 0.50 -1.72 0.00 0.00 179.24 178.65 1rgx h LYS 14 N 0.66 0.91 -0.42 3.56 3.64 -1.54 -1.59 116.57 121.80 1rgx h LYS 14 Ca 0.14 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 59.13 1rgx h LYS 14 Cb 0.37 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1rgx h LYS 14 CO 0.01 0.97 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.92 1rgx h LYS 15 N 0.77 0.69 -0.26 1.90 1.63 -1.01 -0.04 116.57 120.25 1rgx h LYS 15 Ca 0.13 -0.18 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 1rgx h LYS 15 Cb 0.60 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 1rgx h LYS 15 CO 0.04 0.72 0.01 0.82 -3.45 0.00 0.00 179.45 177.59 1rgx h ILE 16 N 0.64 1.25 -0.30 2.00 2.04 -1.06 -0.55 117.51 121.53 1rgx h ILE 16 Ca 0.13 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1rgx h ILE 16 Cb 0.44 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1rgx h ILE 16 CO 0.02 0.28 0.19 0.50 0.00 0.00 0.00 178.15 179.14 1rgx h LYS 17 N 0.24 0.40 0.26 2.37 3.64 -1.08 -0.56 116.57 121.83 1rgx h LYS 17 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1rgx h LYS 17 Cb 0.39 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1rgx h LYS 17 CO 0.01 0.27 -0.27 1.96 -2.27 0.00 0.00 179.45 179.15 1rgx h GLN 18 N 0.40 -0.55 -0.56 1.90 4.20 -0.94 -1.36 115.11 118.20 1rgx h GLN 18 Ca 0.11 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.92 1rgx h GLN 18 Cb -0.03 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.81 1rgx h GLN 18 CO -0.02 -0.37 0.25 -0.44 -0.67 0.00 0.00 178.83 177.58 1rgx h ASP 19 N -0.57 0.31 -0.21 1.46 5.19 -1.01 -2.34 116.42 119.26 1rgx h ASP 19 Ca -0.01 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1rgx h ASP 19 Cb 0.53 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 1rgx h ASP 19 CO -0.06 0.20 0.11 0.15 -3.12 0.00 0.00 179.24 176.52 1rgx h PHE 20 N 0.47 0.21 -0.22 4.55 3.57 -0.94 -2.74 116.94 121.84 1rgx h PHE 20 Ca 0.26 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1rgx h PHE 20 Cb 0.24 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1rgx h PHE 20 CO -0.13 0.12 0.10 -0.91 -2.23 0.00 0.00 178.31 175.26 1rgx h ASN 21 N 0.23 0.27 1.15 0.41 2.35 -0.92 0.22 115.58 119.29 1rgx h ASN 21 Ca 0.08 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1rgx h ASN 21 Cb 0.01 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1rgx h ASN 21 CO -0.05 0.24 -0.46 0.77 -1.65 0.00 0.00 177.43 176.29 1rgx h SER 22 N 0.30 0.00 0.00 5.81 4.64 -1.16 -3.37 113.55 119.77 1rgx h SER 22 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1rgx h SER 22 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1rgx h SER 22 CO -0.01 0.46 -0.92 0.18 -0.87 0.00 0.00 176.83 175.66 1rgx n LEU 23 N -3.37 0.24 0.27 5.97 4.77 -0.90 -4.64 117.00 119.34 1rgx n LEU 23 Ca 0.01 -0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 55.58 1rgx n LEU 23 Cb 0.63 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 1rgx n LEU 23 CO 0.39 0.06 0.48 0.15 -1.33 0.00 0.00 177.39 177.13 1rgx h PHE 24 N 0.00 -0.66 -0.70 -1.77 3.57 -1.13 -2.61 116.94 113.64 1rgx h PHE 24 Ca 0.00 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1rgx h PHE 24 Cb 0.33 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1rgx h PHE 24 CO 0.00 -0.33 0.46 -1.00 -2.23 0.00 0.00 178.31 175.21 1rgx h PRO 25 N -1.00 0.66 -0.55 6.41 0.13 -1.83 0.17 132.00 135.99 1rgx h PRO 25 Ca -0.07 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 65.05 1rgx h PRO 25 Cb 0.62 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.56 1rgx h PRO 25 CO 0.12 0.44 0.31 -0.91 -0.23 0.00 0.00 178.00 177.73 1rgx h ASN 26 N 0.68 0.48 1.12 1.44 4.21 -1.82 -1.15 115.58 120.54 1rgx h ASN 26 Ca 0.31 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.83 1rgx h ASN 26 Cb 0.32 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1rgx h ASN 26 CO -0.10 0.33 -0.02 0.00 -1.29 0.00 0.00 177.43 176.35 1rgx h ALA 27 N 1.27 1.00 0.03 -0.83 0.00 -0.34 -2.77 119.26 117.62 1rgx h ALA 27 Ca 0.23 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 1rgx h ALA 27 Cb 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1rgx h ALA 27 CO -0.13 0.03 -1.39 0.82 0.00 0.00 0.00 179.25 178.58 1rgx h ILE 28 N 0.00 1.26 0.00 0.00 1.08 -0.74 -3.27 117.51 115.84 1rgx h ILE 28 Ca -0.00 -3.00 0.00 0.00 -0.39 0.00 0.00 64.86 61.47 1rgx h ILE 28 Cb 0.59 2.68 0.00 0.00 -3.07 0.00 0.00 36.82 37.02 1rgx h ILE 28 CO 0.00 0.77 0.00 0.11 -0.69 0.00 0.00 178.15 178.34 1rgx h LYS 29 N 0.02 0.00 -0.01 2.37 6.56 -1.08 -3.09 116.57 121.34 1rgx h LYS 29 Ca -0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1rgx h LYS 29 Cb 1.92 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.58 1rgx h LYS 29 CO 0.12 0.00 -0.04 -1.71 -2.06 0.00 0.00 179.45 175.76 1rgx n ASN 30 N -2.79 1.01 -4.78 0.86 4.05 -1.06 -4.81 115.26 107.74 1rgx n ASN 30 Ca 0.02 -1.23 -0.31 0.00 0.45 0.00 0.00 54.58 53.51 1rgx n ASN 30 Cb 0.31 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.25 1rgx n ASN 30 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1rgx s ILE 31 N -2.10 4.62 0.25 -1.44 2.07 -1.17 -0.28 121.20 123.14 1rgx s ILE 31 Ca 0.38 -0.61 0.01 0.00 -1.41 0.00 0.00 60.65 59.02 1rgx s ILE 31 Cb 0.21 -3.18 -0.05 0.00 0.13 0.00 0.00 42.46 39.57 1rgx s ILE 31 CO 0.38 0.22 0.08 -0.83 -1.91 0.00 0.00 174.94 172.88 1rgx s GLY 32 N -2.11 1.66 -0.16 1.50 0.00 0.82 -4.92 107.32 104.11 1rgx s GLY 32 Ca 0.27 -1.83 -0.25 0.00 0.00 0.00 0.00 44.72 42.90 1rgx s GLY 32 CO 0.19 -1.59 0.84 1.08 0.00 0.00 0.00 173.10 173.62 1rgx s LEU 33 N -3.29 4.19 -0.38 0.66 1.43 -1.26 -1.06 118.68 118.96 1rgx s LEU 33 Ca 0.36 1.20 -0.08 0.00 -1.03 0.00 0.00 54.13 54.58 1rgx s LEU 33 Cb 0.08 -3.25 0.06 0.00 0.03 0.00 0.00 46.19 43.10 1rgx s LEU 33 CO 0.12 -0.39 0.18 0.21 0.23 0.00 0.00 176.35 176.70 1rgx s ASN 34 N 1.14 5.47 -0.02 2.29 2.47 0.74 -4.92 114.94 122.10 1rgx s ASN 34 Ca 0.39 -1.32 0.07 0.00 0.42 0.00 0.00 52.86 52.42 1rgx s ASN 34 Cb -0.17 -1.92 -0.02 0.00 -1.45 0.00 0.00 41.25 37.69 1rgx s ASN 34 CO 0.13 -0.42 -0.23 0.00 -3.72 0.00 0.00 177.10 172.86 1rgx s TRP 36 N -0.46 1.07 -0.10 0.00 -2.14 -0.08 -4.97 118.94 112.26 1rgx s TRP 36 Ca 0.07 -1.30 -0.02 0.00 2.66 0.00 0.00 56.10 57.50 1rgx s TRP 36 Cb -0.10 -0.47 -0.03 0.00 -3.10 0.00 0.00 33.47 29.77 1rgx s TRP 36 CO -0.00 -0.68 0.00 0.99 -2.66 0.00 0.00 176.95 174.60 1rgx s THR 37 N -4.14 4.30 -0.19 0.66 2.01 -1.26 -0.55 115.64 116.46 1rgx s THR 37 Ca 0.37 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 1rgx s THR 37 Cb 0.06 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 1rgx s THR 37 CO 0.12 0.59 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.87 1rgx s VAL 38 N -0.72 3.22 0.01 3.82 1.01 -0.27 -4.97 120.40 122.50 1rgx s VAL 38 Ca 0.11 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1rgx s VAL 38 Cb -0.12 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1rgx s VAL 38 CO 0.02 0.46 -0.19 -0.94 0.00 0.00 0.00 175.10 174.45 1rgx s SER 39 N 1.14 2.25 0.01 3.32 1.04 -1.26 -0.13 113.70 120.07 1rgx s SER 39 Ca 0.01 -0.41 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 1rgx s SER 39 Cb -0.14 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 1rgx s SER 39 CO -0.02 0.19 0.02 -0.44 0.98 0.00 0.00 173.24 173.97 1rgx s SER 40 N -0.76 0.14 0.49 7.02 0.01 -0.12 -5.01 113.70 115.47 1rgx s SER 40 Ca 0.07 -0.32 -0.22 0.00 1.31 0.00 0.00 55.95 56.79 1rgx s SER 40 Cb -0.08 0.12 -0.07 0.00 0.21 0.00 0.00 66.02 66.21 1rgx s SER 40 CO 0.00 -0.26 1.15 -0.13 0.41 0.00 0.00 173.24 174.41 1rgx s ARG 41 N -1.16 3.62 0.44 12.44 0.52 -1.26 -0.75 118.95 132.79 1rgx s ARG 41 Ca -0.13 1.70 0.00 0.00 -0.52 0.00 0.00 55.73 56.79 1rgx s ARG 41 Cb -0.08 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.14 1rgx s ARG 41 CO -0.00 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.08 1rgx n GLY 42 N 0.33 -1.81 0.92 -3.53 0.00 -0.59 -4.66 105.19 95.85 1rgx n GLY 42 Ca 0.09 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.38 1rgx n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rgx n LYS 43 N 0.00 2.27 -4.41 1.61 5.02 -1.26 -2.36 118.16 119.02 1rgx n LYS 43 Ca 0.00 -1.84 -0.19 0.00 -2.02 0.00 0.00 58.31 54.25 1rgx n LYS 43 Cb 0.00 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 33.40 1rgx n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rgx s LEU 44 N -1.96 2.06 -0.08 -0.35 1.43 -1.26 -1.40 118.68 117.12 1rgx s LEU 44 Ca 0.30 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1rgx s LEU 44 Cb 0.20 -0.54 0.04 0.00 0.03 0.00 0.00 46.19 45.93 1rgx s LEU 44 CO 0.30 0.10 0.19 0.00 0.23 0.00 0.00 176.35 177.17 1rgx s ALA 45 N -0.42 -0.40 -0.08 4.21 0.00 -0.71 -4.53 121.76 119.83 1rgx s ALA 45 Ca 0.03 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.83 1rgx s ALA 45 Cb -0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1rgx s ALA 45 CO -0.00 -0.18 -0.11 0.45 0.00 0.00 0.00 175.76 175.93 1rgx s SER 46 N 1.22 4.29 0.14 0.00 0.15 -1.26 -0.17 113.70 118.07 1rgx s SER 46 Ca -0.09 -0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.24 1rgx s SER 46 Cb -0.11 -1.20 -0.07 0.00 -1.71 0.00 0.00 66.02 62.93 1rgx s SER 46 CO -0.07 0.29 0.56 0.00 1.20 0.00 0.00 173.24 175.22 1rgx s PRO 48 N -1.87 2.99 0.42 0.00 0.04 -1.26 -4.89 135.00 130.42 1rgx s PRO 48 Ca 0.37 1.01 -0.24 0.00 0.04 0.00 0.00 61.00 62.18 1rgx s PRO 48 Cb -0.15 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1rgx s PRO 48 CO 0.19 -1.06 1.03 -0.85 0.04 0.00 0.00 177.00 176.35 1rgx n GLU 49 N -2.92 1.38 -0.53 4.56 0.28 -1.26 -2.04 120.64 120.10 1rgx n GLU 49 Ca 0.08 0.50 0.00 0.00 -0.16 0.00 0.00 57.16 57.57 1rgx n GLU 49 Cb 0.53 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 31.34 1rgx n GLU 49 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rgx n GLY 50 N 1.16 0.77 3.34 -1.84 0.00 -1.26 -5.05 105.19 102.31 1rgx n GLY 50 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1rgx n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rgx s THR 51 N -3.05 1.72 0.12 2.61 -4.23 -0.87 -4.73 115.64 107.21 1rgx s THR 51 Ca 0.00 -2.21 0.04 0.00 -1.18 0.00 0.00 61.69 58.34 1rgx s THR 51 Cb 0.00 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1rgx s THR 51 CO 0.00 -0.59 0.13 0.00 -0.54 0.00 0.00 174.62 173.61 1rgx s ALA 52 N -2.98 3.63 -0.25 3.99 0.00 -0.28 -4.84 121.76 121.03 1rgx s ALA 52 Ca 0.22 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 1rgx s ALA 52 Cb -0.01 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1rgx s ALA 52 CO 0.07 0.63 0.40 0.08 0.00 0.00 0.00 175.76 176.94 1rgx s VAL 53 N -1.58 5.16 -0.08 0.00 1.01 -1.26 -1.30 120.40 122.35 1rgx s VAL 53 Ca 0.31 0.65 0.17 0.00 0.00 0.00 0.00 61.98 63.11 1rgx s VAL 53 Cb -0.11 -3.72 -0.25 0.00 0.00 0.00 0.00 36.38 32.29 1rgx s VAL 53 CO 0.24 0.17 0.26 0.18 0.00 0.00 0.00 175.10 175.95 1rgx n LEU 54 N 5.15 0.00 -3.73 3.92 7.99 -0.05 -5.02 117.00 125.25 1rgx n LEU 54 Ca -0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.89 1rgx n LEU 54 Cb 0.51 0.17 -0.01 0.00 -0.11 0.00 0.00 43.42 43.98 1rgx n LEU 54 CO 0.38 0.17 0.74 -0.94 -1.51 0.00 0.00 177.39 176.24 1rgx s SER 55 N -4.51 -0.18 0.14 -1.43 1.04 -1.25 -5.00 113.70 102.51 1rgx s SER 55 Ca -0.07 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.03 1rgx s SER 55 Cb 0.09 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1rgx s SER 55 CO 0.74 -0.85 -0.10 0.00 0.98 0.00 0.00 173.24 174.01 1rgx s SER 57 N -3.12 0.68 0.05 0.00 0.15 -0.08 -4.99 113.70 106.40 1rgx s SER 57 Ca 0.16 -0.72 0.03 0.00 0.70 0.00 0.00 55.95 56.13 1rgx s SER 57 Cb 0.02 0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1rgx s SER 57 CO 0.00 -0.36 -0.10 0.00 1.20 0.00 0.00 173.24 173.98 1rgx s GLY 59 N -1.53 1.68 -1.34 0.00 0.00 -0.33 -4.25 107.32 101.55 1rgx s GLY 59 Ca -0.06 -1.15 -0.01 0.00 0.00 0.00 0.00 44.72 43.50 1rgx s GLY 59 CO 0.01 -0.27 0.11 1.44 0.00 0.00 0.00 173.10 174.39 1rgx n SER 60 N -4.42 -4.71 -0.10 1.64 7.64 -1.26 -2.29 113.62 110.13 1rgx n SER 60 Ca 0.15 0.03 -0.01 0.00 1.01 0.00 0.00 58.87 60.05 1rgx n SER 60 Cb 0.60 -3.94 -0.01 0.00 -1.01 0.00 0.00 64.21 59.85 1rgx n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rgx n ALA 61 N -2.41 -0.02 -2.45 -0.43 0.00 -1.26 -4.95 120.51 108.98 1rgx n ALA 61 Ca -0.16 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1rgx n ALA 61 Cb 0.63 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 1rgx n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rgx n GLY 63 N 4.95 -0.50 3.39 0.00 0.00 -1.26 -4.11 105.19 107.66 1rgx n GLY 63 Ca 0.15 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1rgx n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rgx s SER 64 N -2.17 5.98 0.08 1.61 0.01 -1.26 -5.04 113.70 112.92 1rgx s SER 64 Ca 0.36 -1.17 0.01 0.00 1.31 0.00 0.00 55.95 56.46 1rgx s SER 64 Cb 0.21 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 1rgx s SER 64 CO 0.40 -0.53 -0.05 -1.66 0.41 0.00 0.00 173.24 171.81 1rgx s TRP 65 N 1.60 0.76 0.05 2.43 1.48 -1.26 -1.19 118.94 122.81 1rgx s TRP 65 Ca 0.04 -0.98 -0.01 0.00 -1.06 0.00 0.00 56.10 54.09 1rgx s TRP 65 Cb -0.22 -0.47 -0.04 0.00 -1.16 0.00 0.00 33.47 31.59 1rgx s TRP 65 CO 0.07 -0.24 -0.03 0.16 -4.06 0.00 0.00 176.95 172.85 1rgx s ASP 66 N -3.00 0.47 -0.16 -2.66 -4.77 -0.42 -4.98 116.67 101.14 1rgx s ASP 66 Ca 0.10 -0.92 -0.05 0.00 -3.30 0.00 0.00 52.55 48.38 1rgx s ASP 66 Cb 0.06 0.18 -0.03 0.00 -1.09 0.00 0.00 42.92 42.04 1rgx s ASP 66 CO -0.07 -0.55 -0.00 -0.63 0.70 0.00 0.00 175.17 174.62 1rgx s ILE 67 N -3.52 4.23 -0.18 2.11 1.01 -1.26 -0.33 121.20 123.26 1rgx s ILE 67 Ca 0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1rgx s ILE 67 Cb 0.05 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1rgx s ILE 67 CO -0.08 0.49 0.02 -0.13 0.00 0.00 0.00 174.94 175.23 1rgx s ARG 68 N 0.29 3.81 -1.43 2.79 1.81 0.78 -4.51 118.95 122.49 1rgx s ARG 68 Ca -0.01 -0.43 -0.06 0.00 -1.72 0.00 0.00 55.73 53.50 1rgx s ARG 68 Cb -0.13 -3.09 0.03 0.00 -0.45 0.00 0.00 34.95 31.31 1rgx s ARG 68 CO 0.02 0.22 0.54 0.39 -0.68 0.00 0.00 175.30 175.78 1rgx n GLU 69 N 3.66 -4.17 -3.17 3.54 -0.58 -1.26 -1.67 120.64 116.98 1rgx n GLU 69 Ca -0.17 0.72 -0.18 0.00 -0.42 0.00 0.00 57.16 57.11 1rgx n GLU 69 Cb 0.52 -5.51 -0.01 0.00 -0.57 0.00 0.00 31.44 25.87 1rgx n GLU 69 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1rgx n GLU 70 N -3.86 -2.72 0.00 3.49 -0.58 -1.26 -4.69 120.64 111.02 1rgx n GLU 70 Ca -0.07 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1rgx n GLU 70 Cb 0.59 -4.94 0.00 0.00 -0.57 0.00 0.00 31.44 26.52 1rgx n GLU 70 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1rgx n LYS 71 N -3.32 0.00 -4.04 3.49 4.81 -0.70 -4.37 118.16 114.03 1rgx n LYS 71 Ca -0.01 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.12 1rgx n LYS 71 Cb 0.53 -0.42 -0.16 0.00 0.02 0.00 0.00 35.03 34.99 1rgx n LYS 71 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1rgx s VAL 72 N -1.00 1.66 0.12 3.15 1.01 -0.67 -0.57 120.40 124.11 1rgx s VAL 72 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1rgx s VAL 72 Cb 0.00 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 1rgx s VAL 72 CO 0.00 0.46 1.25 0.00 0.00 0.00 0.00 175.10 176.81 1rgx s HIS 74 N 0.68 2.31 -0.08 0.00 5.04 0.55 -1.74 115.29 122.04 1rgx s HIS 74 Ca 0.58 -1.31 -0.18 0.00 -1.54 0.00 0.00 55.06 52.61 1rgx s HIS 74 Cb -0.33 -1.67 -0.05 0.00 0.04 0.00 0.00 32.58 30.58 1rgx s HIS 74 CO 0.32 -0.70 0.48 0.00 -2.34 0.00 0.00 174.74 172.50 1rgx n GLN 76 N 3.16 0.64 -1.20 0.00 6.02 -0.33 -4.85 117.38 120.83 1rgx n GLN 76 Ca -0.08 0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.61 1rgx n GLN 76 Cb 0.52 -1.66 0.12 0.00 1.02 0.00 0.00 30.24 30.23 1rgx n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rgx s ALA 78 N -2.90 3.20 -1.85 0.00 0.00 -1.26 -3.95 121.76 115.00 1rgx s ALA 78 Ca 0.62 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1rgx s ALA 78 Cb -0.18 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1rgx s ALA 78 CO 0.57 -0.33 0.00 0.54 0.00 0.00 0.00 175.76 176.53 1rgx n ARG 79 N 0.33 -1.66 -1.77 0.00 3.00 -1.26 -4.93 116.66 110.37 1rgx n ARG 79 Ca 0.03 1.04 -0.41 0.00 -0.01 0.00 0.00 57.85 58.50 1rgx n ARG 79 Cb 0.47 -5.68 -0.00 0.00 0.00 0.00 0.00 32.46 27.25 1rgx n ARG 79 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1rgx n ILE 80 N -3.81 2.02 -0.04 0.55 3.06 -1.25 -4.94 119.36 114.95 1rgx n ILE 80 Ca -0.24 -0.50 -0.11 0.00 -2.50 0.00 0.00 62.75 59.39 1rgx n ILE 80 Cb 0.69 -1.93 -0.14 0.00 0.54 0.00 0.00 39.64 38.80 1rgx n ILE 80 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1rgx n ASP 81 N 0.47 0.98 -3.62 9.51 5.75 -1.26 -4.25 116.55 124.13 1rgx n ASP 81 Ca 0.02 0.28 -0.13 0.00 -0.01 0.00 0.00 54.79 54.95 1rgx n ASP 81 Cb 0.39 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.40 1rgx n ASP 81 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 1rgx s TRP 82 N -2.57 -0.33 0.04 2.11 1.48 -1.24 -1.54 118.94 116.89 1rgx s TRP 82 Ca -0.10 0.28 0.06 0.00 -1.06 0.00 0.00 56.10 55.28 1rgx s TRP 82 Cb 0.07 0.28 -0.02 0.00 -1.16 0.00 0.00 33.47 32.65 1rgx s TRP 82 CO 0.81 -0.63 -0.16 0.99 -4.06 0.00 0.00 176.95 173.90 1rgx s THR 83 N -2.68 1.29 -0.00 0.66 2.01 0.07 -1.19 115.64 115.79 1rgx s THR 83 Ca -0.04 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1rgx s THR 83 Cb -0.00 -1.15 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 1rgx s THR 83 CO -0.04 0.06 -0.04 0.00 -0.69 0.00 0.00 174.62 173.91 1rgx s ALA 84 N -0.85 0.37 0.00 7.40 0.00 0.37 -0.94 121.76 128.11 1rgx s ALA 84 Ca 0.03 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 51.85 1rgx s ALA 84 Cb -0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1rgx s ALA 84 CO 0.01 0.08 -0.21 0.00 0.00 0.00 0.00 175.76 175.64 1rgx s ALA 85 N -0.17 2.41 -0.32 0.00 0.00 0.81 -0.90 121.76 123.60 1rgx s ALA 85 Ca 0.01 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 1rgx s ALA 85 Cb -0.02 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1rgx s ALA 85 CO -0.00 0.55 0.20 0.50 0.00 0.00 0.00 175.76 177.01 1rgx s ARG 86 N -0.99 3.56 -0.11 0.00 6.06 -0.36 -1.12 118.95 126.00 1rgx s ARG 86 Ca 0.12 -0.59 0.00 0.00 -2.50 0.00 0.00 55.73 52.76 1rgx s ARG 86 Cb -0.10 -3.70 -0.02 0.00 0.06 0.00 0.00 34.95 31.19 1rgx s ARG 86 CO 0.02 -0.37 -0.10 0.00 -2.50 0.00 0.00 175.30 172.34 1rgx s LYS 89 N -1.62 1.63 0.30 0.00 -2.85 -0.36 -1.12 119.74 115.72 1rgx s LYS 89 Ca -0.11 -1.60 -0.10 0.00 -1.00 0.00 0.00 55.97 53.17 1rgx s LYS 89 Cb -0.10 0.40 -0.07 0.00 -2.06 0.00 0.00 37.83 36.01 1rgx s LYS 89 CO -0.00 -0.65 0.64 -0.51 0.10 0.00 0.00 175.35 174.93 1rgx s LEU 90 N -3.16 4.06 -0.04 2.77 2.01 -1.26 -0.19 118.68 122.87 1rgx s LEU 90 Ca 0.31 1.01 -0.01 0.00 0.01 0.00 0.00 54.13 55.44 1rgx s LEU 90 Cb 0.01 -3.81 0.03 0.00 0.01 0.00 0.00 46.19 42.43 1rgx s LEU 90 CO 0.16 -0.19 0.08 -1.58 1.01 0.00 0.00 176.35 175.82 1rgx s GLN 91 N -3.19 0.03 -0.26 1.70 2.00 -0.23 -4.81 119.66 114.91 1rgx s GLN 91 Ca 0.49 0.22 -0.28 0.00 -2.00 0.00 0.00 55.36 53.79 1rgx s GLN 91 Cb -0.11 -0.15 0.01 0.00 0.80 0.00 0.00 33.01 33.56 1rgx s GLN 91 CO 0.24 -0.13 1.00 0.54 -0.50 0.00 0.00 175.29 176.44 1rgx s VAL 92 N 0.83 4.68 0.10 1.34 0.11 -1.26 -0.13 120.40 126.06 1rgx s VAL 92 Ca -0.07 1.84 0.01 0.00 -2.93 0.00 0.00 61.98 60.83 1rgx s VAL 92 Cb -0.09 -4.29 -0.25 0.00 -1.53 0.00 0.00 36.38 30.22 1rgx s VAL 92 CO -0.03 -0.23 1.20 0.00 -3.33 0.00 0.00 175.10 172.71 1rgx h ALA 93 N 7.67 0.21 0.00 1.54 0.00 -1.00 -3.49 119.26 124.19 1rgx h ALA 93 Ca -0.20 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1rgx h ALA 93 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1rgx h ALA 93 CO 0.97 1.09 0.00 0.43 0.00 0.00 0.00 179.25 181.74