#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgw s ALA 2 N 0.00 2.98 0.12 3.04 0.00 -1.26 -0.72 121.76 125.92 1rgw s ALA 2 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1rgw s ALA 2 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1rgw s ALA 2 CO 0.00 0.58 0.23 1.52 0.00 0.00 0.00 175.76 178.09 1rgw s TYR 3 N -0.84 3.43 -0.01 0.00 1.13 -0.28 -4.90 117.35 115.88 1rgw s TYR 3 Ca 0.13 0.14 0.05 0.00 -1.41 0.00 0.00 57.07 55.98 1rgw s TYR 3 Cb -0.11 -1.67 -0.01 0.00 -1.10 0.00 0.00 41.96 39.07 1rgw s TYR 3 CO 0.02 0.54 -0.17 -1.12 -2.51 0.00 0.00 175.55 172.31 1rgw s SER 4 N -2.94 1.98 -0.10 -0.18 0.01 -1.26 -2.44 113.70 108.77 1rgw s SER 4 Ca 0.34 -0.31 -0.15 0.00 1.31 0.00 0.00 55.95 57.14 1rgw s SER 4 Cb -0.12 -0.23 0.04 0.00 0.21 0.00 0.00 66.02 65.92 1rgw s SER 4 CO 0.27 0.21 0.39 0.54 0.41 0.00 0.00 173.24 175.06 1rgw s VAL 5 N -0.38 0.02 -0.18 3.43 0.11 -0.97 -5.01 120.40 117.41 1rgw s VAL 5 Ca 0.06 -0.15 -0.02 0.00 -2.93 0.00 0.00 61.98 58.94 1rgw s VAL 5 Cb -0.07 -0.61 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1rgw s VAL 5 CO -0.01 -0.08 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.70 1rgw s THR 6 N -0.37 3.10 0.18 5.04 2.01 -1.26 -1.96 115.64 122.38 1rgw s THR 6 Ca -0.05 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 1rgw s THR 6 Cb -0.03 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 1rgw s THR 6 CO 0.02 0.47 0.40 -0.76 -0.69 0.00 0.00 174.62 174.07 1rgw s LEU 7 N 1.05 4.22 -0.03 4.42 1.02 0.26 -4.89 118.68 124.73 1rgw s LEU 7 Ca -0.00 0.54 0.05 0.00 0.02 0.00 0.00 54.13 54.74 1rgw s LEU 7 Cb -0.15 -3.29 -0.01 0.00 0.02 0.00 0.00 46.19 42.76 1rgw s LEU 7 CO -0.02 -0.01 -0.19 0.28 0.02 0.00 0.00 176.35 176.43 1rgw s THR 8 N -1.79 1.52 0.00 5.49 -1.32 -1.26 -1.30 115.64 116.98 1rgw s THR 8 Ca 0.40 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 60.09 1rgw s THR 8 Cb -0.12 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 1rgw s THR 8 CO 0.27 0.43 0.00 0.61 -2.21 0.00 0.00 174.62 173.72 1rgw n GLY 9 N 2.86 0.00 3.57 6.08 0.00 0.46 -4.67 105.19 113.49 1rgw n GLY 9 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1rgw n GLY 9 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rgw s PRO 10 N 0.00 2.91 0.00 1.61 0.02 -1.26 -4.58 135.00 133.70 1rgw s PRO 10 Ca 0.00 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.01 1rgw s PRO 10 Cb 0.00 -4.31 0.00 0.00 0.02 0.00 0.00 34.50 30.21 1rgw s PRO 10 CO 0.00 -2.37 0.00 0.41 -0.33 0.00 0.00 177.00 174.71 1rgw n GLY 11 N 5.58 3.76 3.80 0.52 0.00 -1.26 -4.97 105.19 112.63 1rgw n GLY 11 Ca 0.22 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 1rgw n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rgw s PRO 12 N -4.85 3.86 -0.52 1.61 0.04 -1.26 -4.58 135.00 129.30 1rgw s PRO 12 Ca 0.00 1.28 -0.19 0.00 0.04 0.00 0.00 61.00 62.13 1rgw s PRO 12 Cb 0.00 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.49 1rgw s PRO 12 CO 0.00 -0.37 0.65 1.67 0.04 0.00 0.00 177.00 178.99 1rgw s TRP 13 N -2.09 3.03 -0.86 0.56 -2.14 -1.26 -1.43 118.94 114.74 1rgw s TRP 13 Ca 0.65 -0.56 0.00 0.00 2.66 0.00 0.00 56.10 58.85 1rgw s TRP 13 Cb -0.14 -3.63 0.25 0.00 -3.10 0.00 0.00 33.47 26.85 1rgw s TRP 13 CO 0.20 -1.08 0.94 0.41 -2.66 0.00 0.00 176.95 174.76 1rgw n GLY 14 N 5.18 4.59 3.94 3.67 0.00 -1.26 -4.98 105.19 116.33 1rgw n GLY 14 Ca -0.06 -2.67 -0.27 0.00 0.00 0.00 0.00 46.02 43.01 1rgw n GLY 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rgw s PHE 15 N -2.07 3.49 -0.17 1.61 -0.71 -1.26 -0.53 117.98 118.34 1rgw s PHE 15 Ca 0.32 0.18 -0.04 0.00 -1.04 0.00 0.00 56.93 56.35 1rgw s PHE 15 Cb 0.03 -1.71 -0.02 0.00 -1.21 0.00 0.00 43.02 40.10 1rgw s PHE 15 CO -0.04 0.52 -0.03 1.03 -1.34 0.00 0.00 175.22 175.36 1rgw s ARG 16 N -3.06 3.62 -0.18 1.99 0.52 -0.21 -4.94 118.95 116.69 1rgw s ARG 16 Ca 0.35 -0.54 -0.08 0.00 -0.52 0.00 0.00 55.73 54.95 1rgw s ARG 16 Cb -0.12 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 1rgw s ARG 16 CO 0.28 0.14 0.08 -0.51 0.02 0.00 0.00 175.30 175.32 1rgw s LEU 17 N 0.62 3.92 -0.08 2.53 2.01 -1.26 -0.01 118.68 126.41 1rgw s LEU 17 Ca -0.02 0.14 -0.04 0.00 0.01 0.00 0.00 54.13 54.22 1rgw s LEU 17 Cb -0.14 -1.99 0.04 0.00 0.01 0.00 0.00 46.19 44.11 1rgw s LEU 17 CO 0.02 0.20 0.19 -1.10 1.01 0.00 0.00 176.35 176.67 1rgw s GLN 18 N 0.24 0.14 0.01 1.70 -0.21 -1.20 -4.88 119.66 115.47 1rgw s GLN 18 Ca 0.05 0.44 0.00 0.00 0.02 0.00 0.00 55.36 55.87 1rgw s GLN 18 Cb -0.12 -0.15 0.00 0.00 1.00 0.00 0.00 33.01 33.74 1rgw s GLN 18 CO -0.00 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 1rgw n GLY 19 N 4.21 -1.96 0.00 3.09 0.00 -1.26 -3.86 105.19 105.40 1rgw n GLY 19 Ca -0.26 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1rgw n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rgw n GLY 20 N -2.54 0.22 0.31 -0.02 0.00 -1.20 -4.30 105.19 97.66 1rgw n GLY 20 Ca -0.00 -1.18 0.20 0.00 0.00 0.00 0.00 46.02 45.04 1rgw n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rgw h LYS 21 N 0.00 0.00 0.00 1.61 6.56 -1.77 0.42 116.57 123.39 1rgw h LYS 21 Ca 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1rgw h LYS 21 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1rgw h LYS 21 CO 0.00 0.01 -0.21 0.22 -2.06 0.00 0.00 179.45 177.41 1rgw h ASP 22 N 0.00 0.00 -0.27 0.86 1.82 -1.91 -1.59 116.42 115.33 1rgw h ASP 22 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1rgw h ASP 22 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1rgw h ASP 22 CO 0.00 0.21 0.00 0.49 -1.61 0.00 0.00 179.24 178.33 1rgw n PHE 23 N -3.25 0.34 -1.31 0.28 3.01 -0.31 -4.96 117.46 111.26 1rgw n PHE 23 Ca 0.01 -0.17 -0.11 0.00 1.01 0.00 0.00 57.45 58.20 1rgw n PHE 23 Cb 0.50 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.93 1rgw n PHE 23 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1rgw n ASN 24 N 1.09 -4.45 -4.85 4.37 5.03 -0.60 -4.92 115.26 110.94 1rgw n ASN 24 Ca 0.18 0.26 -0.23 0.00 0.87 0.00 0.00 54.58 55.67 1rgw n ASN 24 Cb 0.52 -2.89 0.07 0.00 -1.02 0.00 0.00 39.78 36.46 1rgw n ASN 24 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1rgw s MET 25 N -2.81 2.15 0.85 3.52 -1.94 -0.01 -4.88 119.30 116.17 1rgw s MET 25 Ca 0.00 -0.88 -0.10 0.00 -1.71 0.00 0.00 55.69 53.00 1rgw s MET 25 Cb 0.00 -2.39 0.10 0.00 2.01 0.00 0.00 34.83 34.55 1rgw s MET 25 CO 0.00 -1.07 1.12 -1.25 -0.01 0.00 0.00 175.02 173.81 1rgw s PRO 26 N -4.97 1.59 -0.64 2.03 0.05 -1.26 -3.45 135.00 128.36 1rgw s PRO 26 Ca 0.61 1.36 -0.27 0.00 0.05 0.00 0.00 61.00 62.76 1rgw s PRO 26 Cb -0.08 -1.81 -0.00 0.00 0.05 0.00 0.00 34.50 32.66 1rgw s PRO 26 CO 0.41 -2.17 1.65 -1.17 0.05 0.00 0.00 177.00 175.78 1rgw s LEU 27 N -6.29 3.27 0.08 -3.56 0.20 -1.26 -3.23 118.68 107.90 1rgw s LEU 27 Ca 0.64 0.14 0.05 0.00 0.69 0.00 0.00 54.13 55.65 1rgw s LEU 27 Cb -0.20 -2.62 -0.04 0.00 -0.43 0.00 0.00 46.19 42.90 1rgw s LEU 27 CO 0.57 -2.15 -0.03 0.42 -0.29 0.00 0.00 176.35 174.87 1rgw s THR 28 N 7.79 3.83 0.13 3.68 -4.23 -1.25 -0.15 115.64 125.45 1rgw s THR 28 Ca 0.57 -1.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.16 1rgw s THR 28 Cb -0.11 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1rgw s THR 28 CO 0.20 0.15 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.60 1rgw s ILE 29 N -1.25 2.66 0.00 2.99 1.01 -0.60 -3.25 121.20 122.76 1rgw s ILE 29 Ca 0.24 -1.64 0.00 0.00 0.00 0.00 0.00 60.65 59.25 1rgw s ILE 29 Cb -0.11 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.13 1rgw s ILE 29 CO 0.16 0.06 0.00 -0.24 0.00 0.00 0.00 174.94 174.92 1rgw n SER 30 N 0.71 0.00 -4.03 3.58 2.88 0.99 -2.95 113.62 114.80 1rgw n SER 30 Ca -0.16 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.29 1rgw n SER 30 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1rgw n SER 30 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1rgw s ARG 31 N 0.00 1.26 0.19 -1.46 3.52 -1.25 -4.45 118.95 116.75 1rgw s ARG 31 Ca 0.00 -1.31 -0.19 0.00 -0.13 0.00 0.00 55.73 54.11 1rgw s ARG 31 Cb 0.00 0.37 -0.08 0.00 -1.56 0.00 0.00 34.95 33.68 1rgw s ARG 31 CO 0.00 -0.47 0.68 0.42 -0.81 0.00 0.00 175.30 175.12 1rgw s ILE 32 N -4.03 4.63 0.03 4.11 1.09 -1.26 -1.04 121.20 124.73 1rgw s ILE 32 Ca 0.24 1.21 -0.30 0.00 -1.10 0.00 0.00 60.65 60.69 1rgw s ILE 32 Cb 0.03 -3.85 -0.04 0.00 -1.06 0.00 0.00 42.46 37.54 1rgw s ILE 32 CO 0.05 0.26 0.98 -0.89 -0.10 0.00 0.00 174.94 175.24 1rgw s THR 33 N -1.46 4.75 0.74 2.92 2.01 0.31 -4.97 115.64 119.95 1rgw s THR 33 Ca 0.40 2.04 -0.14 0.00 0.31 0.00 0.00 61.69 64.31 1rgw s THR 33 Cb -0.17 -4.31 0.04 0.00 0.01 0.00 0.00 72.50 68.08 1rgw s THR 33 CO 0.21 0.20 1.15 -2.16 -0.69 0.00 0.00 174.62 173.33 1rgw s PRO 34 N 0.76 2.20 0.00 4.92 0.04 -1.26 -3.21 135.00 138.45 1rgw s PRO 34 Ca 0.51 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1rgw s PRO 34 Cb -0.22 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1rgw s PRO 34 CO 0.29 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 176.00 1rgw n GLY 35 N -0.14 2.94 3.73 0.56 0.00 -1.26 -5.03 105.19 105.98 1rgw n GLY 35 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1rgw n GLY 35 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rgw s SER 36 N -0.20 3.81 0.52 1.61 0.15 -1.20 -4.81 113.70 113.59 1rgw s SER 36 Ca 0.00 1.79 0.16 0.00 0.70 0.00 0.00 55.95 58.61 1rgw s SER 36 Cb 0.00 -2.43 1.28 0.00 -1.71 0.00 0.00 66.02 63.15 1rgw s SER 36 CO 0.00 -2.47 2.15 0.50 1.20 0.00 0.00 173.24 174.62 1rgw h LYS 37 N -1.43 0.00 -0.10 5.44 1.63 -1.49 0.67 116.57 121.28 1rgw h LYS 37 Ca -0.46 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.37 1rgw h LYS 37 Cb 1.25 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1rgw h LYS 37 CO 0.50 0.00 0.10 0.00 -3.45 0.00 0.00 179.45 176.60 1rgw h ALA 38 N 2.00 1.79 0.04 5.00 0.00 -1.91 -2.83 119.26 123.35 1rgw h ALA 38 Ca -0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 1rgw h ALA 38 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1rgw h ALA 38 CO 0.00 -0.15 -2.20 0.00 0.00 0.00 0.00 179.25 176.90 1rgw n ALA 39 N -2.39 1.15 -0.06 0.00 0.00 0.08 -4.45 120.51 114.84 1rgw n ALA 39 Ca -0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 53.44 52.49 1rgw n ALA 39 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 19.45 19.34 1rgw n ALA 39 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1rgw h GLN 40 N -0.22 -0.14 0.00 0.00 1.08 -1.03 -3.45 115.11 111.34 1rgw h GLN 40 Ca -0.52 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1rgw h GLN 40 Cb 1.84 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.31 1rgw h GLN 40 CO -0.09 -0.09 0.00 0.45 -0.95 0.00 0.00 178.83 178.14 1rgw n SER 41 N -5.33 0.00 -1.97 1.46 2.88 -1.08 -4.96 113.62 104.62 1rgw n SER 41 Ca -0.00 -0.37 -0.21 0.00 -1.33 0.00 0.00 58.87 56.97 1rgw n SER 41 Cb 0.25 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.80 1rgw n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rgw n GLN 42 N -0.37 2.02 -3.27 -1.46 1.13 -1.26 -4.87 117.38 109.31 1rgw n GLN 42 Ca 0.00 -2.19 -0.39 0.00 -1.94 0.00 0.00 57.00 52.48 1rgw n GLN 42 Cb 0.00 -1.86 -0.06 0.00 0.11 0.00 0.00 30.24 28.43 1rgw n GLN 42 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1rgw s LEU 43 N -2.48 4.41 -0.57 1.08 2.96 -1.26 -5.00 118.68 117.81 1rgw s LEU 43 Ca 0.42 1.09 0.05 0.00 -0.22 0.00 0.00 54.13 55.47 1rgw s LEU 43 Cb 0.34 -2.84 0.18 0.00 0.50 0.00 0.00 46.19 44.38 1rgw s LEU 43 CO 0.03 0.13 0.46 -0.24 -1.32 0.00 0.00 176.35 175.42 1rgw n SER 44 N 2.65 1.62 -4.57 3.68 2.88 -1.26 -4.69 113.62 113.94 1rgw n SER 44 Ca -0.08 -2.89 -0.40 0.00 -1.33 0.00 0.00 58.87 54.16 1rgw n SER 44 Cb 0.51 -0.67 -0.03 0.00 -0.75 0.00 0.00 64.21 63.28 1rgw n SER 44 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1rgw s GLN 45 N -0.98 2.99 0.00 -1.46 0.74 -1.26 -4.48 119.66 115.20 1rgw s GLN 45 Ca 0.30 0.65 0.00 0.00 0.05 0.00 0.00 55.36 56.35 1rgw s GLN 45 Cb 0.02 -4.26 0.00 0.00 1.10 0.00 0.00 33.01 29.87 1rgw s GLN 45 CO -0.16 -2.30 0.00 0.41 -0.55 0.00 0.00 175.29 172.68 1rgw n GLY 46 N 5.50 0.00 0.00 2.59 0.00 -1.26 -4.41 105.19 107.60 1rgw n GLY 46 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1rgw n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rgw n ASP 47 N 0.00 0.00 -4.60 1.61 2.03 -1.15 -4.71 116.55 109.73 1rgw n ASP 47 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1rgw n ASP 47 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1rgw n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1rgw s LEU 48 N 0.00 3.96 0.17 -2.67 2.01 -1.26 -1.56 118.68 119.32 1rgw s LEU 48 Ca 0.00 0.52 -0.30 0.00 0.01 0.00 0.00 54.13 54.36 1rgw s LEU 48 Cb 0.00 -3.29 -0.07 0.00 0.01 0.00 0.00 46.19 42.83 1rgw s LEU 48 CO 0.00 -0.93 0.99 -0.69 1.01 0.00 0.00 176.35 176.73 1rgw s VAL 49 N 3.63 4.21 -0.13 -1.59 1.01 0.79 -0.49 120.40 127.83 1rgw s VAL 49 Ca 0.39 1.95 -0.10 0.00 0.00 0.00 0.00 61.98 64.22 1rgw s VAL 49 Cb -0.11 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1rgw s VAL 49 CO 0.21 0.36 -0.19 0.52 0.00 0.00 0.00 175.10 175.99 1rgw n VAL 50 N 2.30 1.21 -4.15 2.92 0.31 0.16 -4.52 118.33 116.56 1rgw n VAL 50 Ca 0.01 0.24 -0.16 0.00 -0.01 0.00 0.00 64.34 64.42 1rgw n VAL 50 Cb 0.48 -2.24 -0.12 0.00 -0.91 0.00 0.00 33.84 31.05 1rgw n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rgw s ALA 51 N -2.82 0.88 -0.09 3.52 0.00 -0.30 -0.37 121.76 122.58 1rgw s ALA 51 Ca -0.16 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1rgw s ALA 51 Cb 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1rgw s ALA 51 CO 0.24 0.10 -0.12 -1.50 0.00 0.00 0.00 175.76 174.47 1rgw s ILE 52 N -1.18 1.21 -1.62 0.00 -1.16 0.05 -1.14 121.20 117.36 1rgw s ILE 52 Ca -0.04 -0.47 0.00 0.00 -0.51 0.00 0.00 60.65 59.62 1rgw s ILE 52 Cb -0.09 -1.14 0.00 0.00 0.61 0.00 0.00 42.46 41.84 1rgw s ILE 52 CO 0.01 0.38 0.00 -0.67 -2.81 0.00 0.00 174.94 171.86 1rgw n ASP 53 N 4.25 -5.46 0.00 4.50 2.03 -0.45 -0.62 116.55 120.79 1rgw n ASP 53 Ca -0.19 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1rgw n ASP 53 Cb 0.51 -4.31 0.00 0.00 -0.72 0.00 0.00 41.12 36.60 1rgw n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rgw n GLY 54 N -0.27 0.77 3.28 0.27 0.00 -1.26 -5.00 105.19 102.98 1rgw n GLY 54 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1rgw n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rgw s VAL 55 N -2.18 2.44 0.42 1.61 1.01 0.21 -5.03 120.40 118.88 1rgw s VAL 55 Ca 0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 1rgw s VAL 55 Cb 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 1rgw s VAL 55 CO 0.00 0.55 1.02 0.54 0.00 0.00 0.00 175.10 177.21 1rgw s ASN 56 N 0.32 6.74 -0.89 3.32 4.22 -1.26 -0.77 114.94 126.63 1rgw s ASN 56 Ca -0.15 1.95 -0.03 0.00 -2.14 0.00 0.00 52.86 52.49 1rgw s ASN 56 Cb -0.17 -2.57 0.24 0.00 1.28 0.00 0.00 41.25 40.03 1rgw s ASN 56 CO 0.08 -0.50 2.20 0.35 -2.04 0.00 0.00 177.10 177.18 1rgw n THR 57 N -0.29 4.49 -0.03 0.54 -2.24 0.50 -4.57 114.28 112.67 1rgw n THR 57 Ca 0.06 -4.48 -0.14 0.00 -2.27 0.00 0.00 64.05 57.23 1rgw n THR 57 Cb 0.51 -1.54 -0.11 0.00 -2.10 0.00 0.00 70.33 67.10 1rgw n THR 57 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1rgw h ASP 58 N 3.58 0.07 0.00 3.42 3.58 -1.93 -3.41 116.42 121.73 1rgw h ASP 58 Ca 0.54 -0.65 -0.09 0.00 0.42 0.00 0.00 57.03 57.25 1rgw h ASP 58 Cb 0.30 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 1rgw h ASP 58 CO 1.25 0.70 -1.41 1.07 -2.88 0.00 0.00 179.24 177.97 1rgw n THR 59 N -4.72 0.36 -1.74 2.25 5.66 -1.26 -5.00 114.28 109.82 1rgw n THR 59 Ca -0.09 -0.25 -0.67 0.00 -3.05 0.00 0.00 64.05 59.99 1rgw n THR 59 Cb 0.35 -0.62 -0.10 0.00 -1.55 0.00 0.00 70.33 68.41 1rgw n THR 59 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1rgw n MET 60 N -2.14 0.07 -2.79 1.09 0.00 -1.26 -4.88 117.12 107.20 1rgw n MET 60 Ca -0.09 0.03 -0.22 0.00 0.00 0.00 0.00 57.70 57.42 1rgw n MET 60 Cb 0.61 -1.54 0.10 0.00 0.00 0.00 0.00 33.22 32.39 1rgw n MET 60 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1rgw s THR 61 N 3.08 2.05 0.19 1.12 -4.23 -1.26 -4.46 115.64 112.13 1rgw s THR 61 Ca 1.05 -0.77 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 1rgw s THR 61 Cb -1.47 -2.28 0.13 0.00 1.34 0.00 0.00 72.50 70.21 1rgw s THR 61 CO 0.81 0.00 1.71 -0.74 -0.54 0.00 0.00 174.62 175.85 1rgw h HIS 62 N -0.29 0.14 -0.14 3.99 2.76 -1.90 -1.29 115.15 118.40 1rgw h HIS 62 Ca -0.32 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.85 1rgw h HIS 62 Cb 1.27 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.25 1rgw h HIS 62 CO 0.02 -0.03 -0.01 1.25 -1.30 0.00 0.00 177.93 177.85 1rgw h LEU 63 N 0.22 0.26 0.39 0.26 5.85 -1.95 -3.13 115.31 117.21 1rgw h LEU 63 Ca 0.27 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1rgw h LEU 63 Cb 0.38 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1rgw h LEU 63 CO -0.37 0.53 -0.20 -0.08 -0.34 0.00 0.00 178.44 177.98 1rgw h GLU 64 N -0.02 -0.52 -0.00 1.25 4.81 -1.85 -1.40 114.58 116.85 1rgw h GLU 64 Ca 0.04 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 1rgw h GLU 64 Cb 0.41 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1rgw h GLU 64 CO 0.01 -0.35 -0.44 0.00 -0.73 0.00 0.00 179.01 177.50 1rgw h ALA 65 N 0.07 1.27 -0.71 2.92 0.00 -1.40 0.74 119.26 122.15 1rgw h ALA 65 Ca -0.05 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1rgw h ALA 65 Cb 0.42 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1rgw h ALA 65 CO 0.07 0.55 0.46 0.37 0.00 0.00 0.00 179.25 180.71 1rgw h GLN 66 N 0.01 0.90 -0.39 0.00 4.15 -1.47 -1.58 115.11 116.74 1rgw h GLN 66 Ca -0.00 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 1rgw h GLN 66 Cb 0.78 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1rgw h GLN 66 CO 0.06 0.60 -0.20 -0.91 -1.93 0.00 0.00 178.83 176.44 1rgw h ASN 67 N 0.93 0.75 0.26 -0.69 2.35 -0.45 -2.58 115.58 116.15 1rgw h ASN 67 Ca 0.27 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1rgw h ASN 67 Cb -0.07 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.10 1rgw h ASN 67 CO -0.07 0.94 -0.12 0.11 -1.65 0.00 0.00 177.43 176.64 1rgw h LYS 68 N 0.66 -0.33 -0.54 0.81 1.79 -0.52 -1.99 116.57 116.44 1rgw h LYS 68 Ca 0.10 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.70 1rgw h LYS 68 Cb 0.70 0.08 -0.11 0.00 -1.58 0.00 0.00 32.23 31.31 1rgw h LYS 68 CO 0.05 -0.17 -0.24 0.82 -1.08 0.00 0.00 179.45 178.83 1rgw h ILE 69 N -0.42 0.29 0.00 1.86 2.04 -1.36 -2.32 117.51 117.61 1rgw h ILE 69 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1rgw h ILE 69 Cb 0.32 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1rgw h ILE 69 CO 0.06 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.50 1rgw n LYS 70 N -5.42 0.24 0.00 2.37 4.01 -0.97 -2.46 118.16 115.92 1rgw n LYS 70 Ca 0.05 0.12 0.10 0.00 -0.51 0.00 0.00 58.31 58.07 1rgw n LYS 70 Cb 0.33 -1.50 0.02 0.00 -0.51 0.00 0.00 35.03 33.37 1rgw n LYS 70 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1rgw n SER 71 N -1.29 2.11 -4.94 4.39 7.64 -0.77 -4.92 113.62 115.84 1rgw n SER 71 Ca 0.08 -1.56 -0.21 0.00 1.01 0.00 0.00 58.87 58.20 1rgw n SER 71 Cb 0.14 0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 1rgw n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rgw s ALA 72 N -2.22 3.91 0.03 -0.43 0.00 -1.03 -5.04 121.76 116.99 1rgw s ALA 72 Ca 0.19 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1rgw s ALA 72 Cb 0.17 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1rgw s ALA 72 CO 0.47 0.19 0.00 -1.13 0.00 0.00 0.00 175.76 175.30 1rgw n SER 73 N -1.40 -0.18 -0.14 0.00 3.41 -1.26 -4.96 113.62 109.08 1rgw n SER 73 Ca -0.07 0.06 -0.05 0.00 -0.26 0.00 0.00 58.87 58.54 1rgw n SER 73 Cb 0.57 0.40 0.03 0.00 -0.26 0.00 0.00 64.21 64.95 1rgw n SER 73 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1rgw h TYR 74 N 0.00 0.40 -3.28 7.33 5.03 -1.94 0.13 116.97 124.63 1rgw h TYR 74 Ca 0.00 0.02 -0.44 0.00 2.58 0.00 0.00 58.73 60.89 1rgw h TYR 74 Cb 0.00 -0.11 -0.37 0.00 1.55 0.00 0.00 36.73 37.79 1rgw h TYR 74 CO 0.00 0.20 -0.77 1.21 -1.32 0.00 0.00 178.16 177.48 1rgw s ASN 75 N -5.46 1.53 -0.36 -2.11 2.47 -1.26 -4.29 114.94 105.47 1rgw s ASN 75 Ca -0.13 -0.12 0.04 0.00 0.42 0.00 0.00 52.86 53.07 1rgw s ASN 75 Cb 0.13 -0.49 0.10 0.00 -1.45 0.00 0.00 41.25 39.55 1rgw s ASN 75 CO 0.73 -0.16 0.07 -0.22 -3.72 0.00 0.00 177.10 173.80 1rgw s LEU 76 N 1.75 4.70 -0.25 3.21 2.96 -0.42 -4.85 118.68 125.79 1rgw s LEU 76 Ca 0.02 -2.24 -0.11 0.00 -0.22 0.00 0.00 54.13 51.59 1rgw s LEU 76 Cb -0.13 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 1rgw s LEU 76 CO -0.05 -0.37 0.16 -0.44 -1.32 0.00 0.00 176.35 174.34 1rgw s SER 77 N 0.79 6.08 0.03 3.68 0.01 -1.26 -0.58 113.70 122.45 1rgw s SER 77 Ca 0.12 0.08 0.08 0.00 1.31 0.00 0.00 55.95 57.54 1rgw s SER 77 Cb -0.20 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 1rgw s SER 77 CO -0.07 0.04 -0.22 -0.76 0.41 0.00 0.00 173.24 172.64 1rgw s LEU 78 N 1.19 2.37 -0.17 2.44 2.01 -0.83 -1.34 118.68 124.35 1rgw s LEU 78 Ca 0.07 -0.48 -0.02 0.00 0.01 0.00 0.00 54.13 53.71 1rgw s LEU 78 Cb -0.14 -1.40 0.05 0.00 0.01 0.00 0.00 46.19 44.71 1rgw s LEU 78 CO 0.06 0.27 0.00 -0.89 1.01 0.00 0.00 176.35 176.80 1rgw s THR 79 N -0.82 0.69 0.18 5.49 2.01 -0.29 -2.30 115.64 120.59 1rgw s THR 79 Ca 0.13 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1rgw s THR 79 Cb -0.10 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 1rgw s THR 79 CO 0.03 -0.04 0.02 -1.48 -0.69 0.00 0.00 174.62 172.45 1rgw s LEU 80 N 1.80 2.04 0.55 4.42 2.34 -1.02 0.41 118.68 129.21 1rgw s LEU 80 Ca 0.00 -1.19 -0.17 0.00 0.06 0.00 0.00 54.13 52.82 1rgw s LEU 80 Cb -0.16 -0.02 -0.06 0.00 -0.56 0.00 0.00 46.19 45.40 1rgw s LEU 80 CO -0.07 -0.60 1.04 -1.10 -1.06 0.00 0.00 176.35 174.56 1rgw s GLN 81 N -3.94 3.55 -0.95 1.48 -1.52 0.36 -1.13 119.66 117.51 1rgw s GLN 81 Ca 0.25 1.23 -0.24 0.00 -1.95 0.00 0.00 55.36 54.65 1rgw s GLN 81 Cb 0.06 -2.07 0.02 0.00 -0.22 0.00 0.00 33.01 30.81 1rgw s GLN 81 CO 0.05 -0.62 1.58 0.15 -0.25 0.00 0.00 175.29 176.20 1rgw s LYS 82 N -3.79 3.25 0.29 2.91 -0.14 0.11 -4.58 119.74 117.77 1rgw s LYS 82 Ca 0.64 -0.77 0.00 0.00 -1.36 0.00 0.00 55.97 54.48 1rgw s LYS 82 Cb -0.15 -5.16 0.00 0.00 -1.68 0.00 0.00 37.83 30.84 1rgw s LYS 82 CO 0.31 -2.54 0.00 -1.13 -0.76 0.00 0.00 175.35 171.23 1rgw n SER 83 N 10.42 -6.58 -4.55 2.83 3.41 -1.26 -4.50 113.62 113.39 1rgw n SER 83 Ca 0.32 0.52 -0.40 0.00 -0.26 0.00 0.00 58.87 59.06 1rgw n SER 83 Cb 0.50 -3.40 -0.03 0.00 -0.26 0.00 0.00 64.21 61.02 1rgw n SER 83 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1rgw s LYS 84 N -2.19 3.15 0.00 4.33 3.01 -1.26 -5.05 119.74 121.73 1rgw s LYS 84 Ca 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 55.97 54.66 1rgw s LYS 84 Cb 0.00 -4.52 0.00 0.00 -1.01 0.00 0.00 37.83 32.30 1rgw s LYS 84 CO 0.00 -2.32 0.17 -2.13 0.51 0.00 0.00 175.35 171.58