#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 3.81 0.00 -5.12 0.00 -1.26 -1.83 121.76 117.36 1rgw s ALA 2 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1rgw s ALA 2 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1rgw s ALA 2 CO 0.00 0.77 0.04 1.52 0.00 0.00 0.00 175.76 178.09 1rgw s TYR 3 N -1.39 3.16 -0.08 0.00 1.13 -0.45 -4.92 117.35 114.80 1rgw s TYR 3 Ca 0.30 0.13 0.04 0.00 -1.41 0.00 0.00 57.07 56.13 1rgw s TYR 3 Cb -0.13 -1.69 0.00 0.00 -1.10 0.00 0.00 41.96 39.04 1rgw s TYR 3 CO 0.22 0.50 -0.20 0.45 -2.51 0.00 0.00 175.55 174.02 1rgw s SER 4 N -1.67 2.56 -0.04 -0.18 0.15 -1.26 -2.71 113.70 110.54 1rgw s SER 4 Ca 0.21 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.44 1rgw s SER 4 Cb -0.12 -1.04 0.01 0.00 -1.71 0.00 0.00 66.02 63.16 1rgw s SER 4 CO 0.12 0.13 -0.11 0.54 1.20 0.00 0.00 173.24 175.12 1rgw s VAL 5 N 0.32 0.98 -0.31 4.45 0.11 -1.00 -5.01 120.40 119.95 1rgw s VAL 5 Ca -0.13 -0.44 -0.15 0.00 -2.93 0.00 0.00 61.98 58.32 1rgw s VAL 5 Cb -0.16 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1rgw s VAL 5 CO 0.06 0.31 0.38 -0.89 -3.33 0.00 0.00 175.10 171.62 1rgw s THR 6 N 0.36 5.16 -0.16 5.04 2.01 -1.26 -1.96 115.64 124.82 1rgw s THR 6 Ca -0.07 0.31 -0.08 0.00 0.31 0.00 0.00 61.69 62.16 1rgw s THR 6 Cb -0.12 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1rgw s THR 6 CO 0.02 0.02 0.12 -0.22 -0.69 0.00 0.00 174.62 173.86 1rgw s LEU 7 N 2.07 4.18 -0.08 4.42 2.96 0.11 -4.86 118.68 127.47 1rgw s LEU 7 Ca 0.14 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 1rgw s LEU 7 Cb -0.16 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1rgw s LEU 7 CO 0.11 0.28 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.32 1rgw s THR 8 N -0.23 1.75 0.00 3.68 2.01 -1.26 -1.48 115.64 120.12 1rgw s THR 8 Ca 0.10 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1rgw s THR 8 Cb -0.12 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.86 1rgw s THR 8 CO 0.01 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 1rgw n GLY 9 N 3.54 3.88 3.69 4.40 0.00 -1.03 -5.09 105.19 114.59 1rgw n GLY 9 Ca -0.20 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1rgw n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rgw s PRO 10 N -1.24 4.40 0.00 1.61 0.04 -1.26 -4.63 135.00 133.92 1rgw s PRO 10 Ca 0.00 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1rgw s PRO 10 Cb 0.00 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1rgw s PRO 10 CO 0.00 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1rgw n GLY 11 N 3.24 0.12 3.91 0.56 0.00 -1.26 -5.10 105.19 106.66 1rgw n GLY 11 Ca 0.10 -2.29 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.63 2.33 -0.20 1.61 0.04 -1.26 -4.91 135.00 131.98 1rgw s PRO 12 Ca 0.00 0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.12 1rgw s PRO 12 Cb 0.00 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1rgw s PRO 12 CO 0.00 -1.28 -0.12 -1.58 0.04 0.00 0.00 177.00 174.05 1rgw s TRP 13 N -3.39 2.87 -0.95 0.56 0.52 -1.26 -4.73 118.94 112.57 1rgw s TRP 13 Ca 0.60 -1.33 -0.17 0.00 0.02 0.00 0.00 56.10 55.22 1rgw s TRP 13 Cb -0.11 -2.01 0.16 0.00 -1.15 0.00 0.00 33.47 30.37 1rgw s TRP 13 CO 0.48 -0.69 1.08 0.20 0.02 0.00 0.00 176.95 178.04 1rgw s GLY 14 N 1.38 2.22 0.08 0.98 0.00 -1.26 -4.98 107.32 105.74 1rgw s GLY 14 Ca 0.05 -3.02 0.04 0.00 0.00 0.00 0.00 44.72 41.79 1rgw s GLY 14 CO -0.08 1.81 -0.12 -0.11 0.00 0.00 0.00 173.10 174.60 1rgw s PHE 15 N 1.78 1.12 -0.21 1.90 -0.71 -1.26 -0.50 117.98 120.10 1rgw s PHE 15 Ca 0.30 -0.55 -0.07 0.00 -1.04 0.00 0.00 56.93 55.58 1rgw s PHE 15 Cb -0.06 -0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 41.10 1rgw s PHE 15 CO -0.08 0.03 0.06 1.03 -1.34 0.00 0.00 175.22 174.92 1rgw s ARG 16 N -2.22 3.79 -0.01 1.99 1.81 0.06 -4.96 118.95 119.41 1rgw s ARG 16 Ca 0.01 -0.42 -0.05 0.00 -1.72 0.00 0.00 55.73 53.55 1rgw s ARG 16 Cb -0.07 -3.25 -0.04 0.00 -0.45 0.00 0.00 34.95 31.14 1rgw s ARG 16 CO 0.01 0.04 0.22 -0.51 -0.68 0.00 0.00 175.30 174.39 1rgw s LEU 17 N 1.00 4.37 0.10 2.53 1.02 -1.26 -0.25 118.68 126.18 1rgw s LEU 17 Ca 0.04 0.46 0.00 0.00 0.02 0.00 0.00 54.13 54.65 1rgw s LEU 17 Cb -0.14 -2.61 -0.04 0.00 0.02 0.00 0.00 46.19 43.42 1rgw s LEU 17 CO 0.03 0.27 -0.03 -1.10 0.02 0.00 0.00 176.35 175.54 1rgw s GLN 18 N -1.79 0.80 4.41 1.70 -1.52 -1.01 -4.82 119.66 117.43 1rgw s GLN 18 Ca 0.27 -1.33 0.00 0.00 -1.95 0.00 0.00 55.36 52.34 1rgw s GLN 18 Cb -0.13 -0.01 0.00 0.00 -0.22 0.00 0.00 33.01 32.65 1rgw s GLN 18 CO 0.16 -0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.52 1rgw n GLY 19 N -0.02 1.42 0.00 3.09 0.00 -1.26 -2.91 105.19 105.51 1rgw n GLY 19 Ca -0.11 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 3.35 0.14 -0.02 0.00 -1.11 -4.21 105.19 103.34 1rgw n GLY 20 Ca 0.00 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.37 1rgw n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rgw n LYS 21 N -1.79 0.19 -0.18 1.61 3.00 -1.16 -2.32 118.16 117.51 1rgw n LYS 21 Ca 0.00 0.48 -0.01 0.00 -0.00 0.00 0.00 58.31 58.78 1rgw n LYS 21 Cb 0.00 -1.91 0.06 0.00 0.00 0.00 0.00 35.03 33.19 1rgw n LYS 21 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1rgw h ASP 22 N 0.00 -0.36 -0.84 3.14 3.58 -1.85 -2.64 116.42 117.45 1rgw h ASP 22 Ca 0.00 0.15 -0.49 0.00 0.42 0.00 0.00 57.03 57.10 1rgw h ASP 22 Cb 0.28 0.28 -0.27 0.00 1.72 0.00 0.00 39.33 41.34 1rgw h ASP 22 CO 0.00 -0.13 0.45 0.49 -2.88 0.00 0.00 179.24 177.16 1rgw n PHE 23 N -5.31 2.67 -2.93 0.28 3.01 -1.07 -4.88 117.46 109.23 1rgw n PHE 23 Ca 0.06 -2.16 -0.21 0.00 1.01 0.00 0.00 57.45 56.15 1rgw n PHE 23 Cb 0.30 -0.95 0.01 0.00 -0.01 0.00 0.00 39.48 38.84 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 -1.05 -5.31 -4.95 4.37 3.02 -1.00 -4.98 115.26 105.37 1rgw n ASN 24 Ca 0.54 -0.21 -0.20 0.00 -0.03 0.00 0.00 54.58 54.68 1rgw n ASN 24 Cb 1.20 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 1rgw n ASN 24 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1rgw s MET 25 N -5.59 2.55 0.68 3.52 -1.94 -0.98 -5.00 119.30 112.55 1rgw s MET 25 Ca 0.24 -1.52 -0.14 0.00 -1.71 0.00 0.00 55.69 52.57 1rgw s MET 25 Cb -0.11 -2.52 0.01 0.00 2.01 0.00 0.00 34.83 34.22 1rgw s MET 25 CO 0.30 -0.39 1.10 -1.25 -0.01 0.00 0.00 175.02 174.77 1rgw s PRO 26 N -4.32 2.70 -0.54 2.03 0.05 -1.26 -4.07 135.00 129.60 1rgw s PRO 26 Ca 0.51 1.31 -0.28 0.00 0.05 0.00 0.00 61.00 62.59 1rgw s PRO 26 Cb -0.06 -1.94 0.02 0.00 0.05 0.00 0.00 34.50 32.57 1rgw s PRO 26 CO 0.31 -1.32 1.27 -1.17 0.05 0.00 0.00 177.00 176.13 1rgw s LEU 27 N -5.13 3.49 0.13 -3.56 0.20 -1.26 -2.77 118.68 109.78 1rgw s LEU 27 Ca 0.65 0.31 0.05 0.00 0.69 0.00 0.00 54.13 55.83 1rgw s LEU 27 Cb -0.19 -3.26 -0.04 0.00 -0.43 0.00 0.00 46.19 42.27 1rgw s LEU 27 CO 0.45 -1.49 0.06 0.42 -0.29 0.00 0.00 176.35 175.50 1rgw s THR 28 N 5.20 4.23 0.08 3.68 -4.23 -1.15 -0.30 115.64 123.15 1rgw s THR 28 Ca 0.49 -1.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.03 1rgw s THR 28 Cb -0.09 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 1rgw s THR 28 CO 0.27 0.00 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.53 1rgw s ILE 29 N -1.55 2.69 0.00 2.99 1.01 -0.69 -2.40 121.20 123.25 1rgw s ILE 29 Ca 0.29 -1.41 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1rgw s ILE 29 Cb -0.11 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.18 1rgw s ILE 29 CO 0.21 0.21 0.00 -0.24 0.00 0.00 0.00 174.94 175.12 1rgw n SER 30 N 1.17 0.00 -4.04 3.58 2.88 0.65 -2.82 113.62 115.04 1rgw n SER 30 Ca -0.16 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.29 1rgw n SER 30 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 1rgw n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rgw s ARG 31 N 0.00 0.48 0.28 -1.46 1.04 -1.23 -4.48 118.95 113.58 1rgw s ARG 31 Ca 0.00 -0.89 -0.21 0.00 -1.04 0.00 0.00 55.73 53.59 1rgw s ARG 31 Cb 0.00 0.05 -0.09 0.00 -2.04 0.00 0.00 34.95 32.87 1rgw s ARG 31 CO 0.00 -0.05 0.81 0.42 -0.04 0.00 0.00 175.30 176.44 1rgw s ILE 32 N -2.42 4.45 0.15 4.99 1.09 -1.26 -0.76 121.20 127.44 1rgw s ILE 32 Ca -0.05 1.45 -0.30 0.00 -1.10 0.00 0.00 60.65 60.64 1rgw s ILE 32 Cb -0.03 -3.87 -0.07 0.00 -1.06 0.00 0.00 42.46 37.43 1rgw s ILE 32 CO -0.04 0.12 0.97 -0.89 -0.10 0.00 0.00 174.94 175.01 1rgw s THR 33 N -1.63 4.33 0.02 2.92 2.01 0.35 -4.96 115.64 118.68 1rgw s THR 33 Ca 0.47 2.02 -0.36 0.00 0.31 0.00 0.00 61.69 64.14 1rgw s THR 33 Cb -0.16 -4.29 -0.15 0.00 0.01 0.00 0.00 72.50 67.91 1rgw s THR 33 CO 0.21 0.35 1.57 -2.65 -0.69 0.00 0.00 174.62 173.42 1rgw n PRO 34 N 2.46 1.64 -0.70 4.92 -0.02 -1.26 -2.50 135.00 139.55 1rgw n PRO 34 Ca 0.01 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1rgw n PRO 34 Cb 0.48 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1rgw n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rgw n GLY 35 N 3.40 0.75 3.93 -1.23 0.00 -1.26 -5.04 105.19 105.74 1rgw n GLY 35 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.52 5.43 0.42 1.61 0.15 -1.04 -4.97 113.70 112.77 1rgw s SER 36 Ca 0.00 0.53 0.09 0.00 0.70 0.00 0.00 55.95 57.27 1rgw s SER 36 Cb 0.00 -1.48 0.88 0.00 -1.71 0.00 0.00 66.02 63.71 1rgw s SER 36 CO 0.00 -1.13 2.03 0.11 1.20 0.00 0.00 173.24 175.44 1rgw h LYS 37 N -0.16 0.40 -0.06 5.44 1.57 -1.89 -1.71 116.57 120.15 1rgw h LYS 37 Ca -0.45 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1rgw h LYS 37 Cb 1.27 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1rgw h LYS 37 CO 0.59 0.33 0.06 0.00 -0.57 0.00 0.00 179.45 179.86 1rgw h ALA 38 N 1.74 1.80 0.06 3.86 0.00 -1.89 -2.88 119.26 121.94 1rgw h ALA 38 Ca 0.10 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.72 1rgw h ALA 38 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1rgw h ALA 38 CO -0.01 -0.09 -1.57 0.00 0.00 0.00 0.00 179.25 177.58 1rgw h ALA 39 N 1.94 0.32 -0.11 0.00 0.00 -1.56 -3.41 119.26 116.45 1rgw h ALA 39 Ca 0.03 -1.27 -0.14 0.00 0.00 0.00 0.00 54.91 53.53 1rgw h ALA 39 Cb 0.15 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1rgw h ALA 39 CO -0.00 0.96 -0.54 1.96 0.00 0.00 0.00 179.25 181.62 1rgw h GLN 40 N -0.51 0.32 0.00 0.00 4.20 -1.43 -3.47 115.11 114.22 1rgw h GLN 40 Ca -0.37 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.14 1rgw h GLN 40 Cb 1.64 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.44 1rgw h GLN 40 CO -0.07 0.78 0.00 0.45 -0.67 0.00 0.00 178.83 179.33 1rgw n SER 41 N -3.93 0.00 -0.29 1.46 2.88 -1.09 -4.93 113.62 107.72 1rgw n SER 41 Ca -0.02 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.65 1rgw n SER 41 Cb 0.58 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.51 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 0.00 1.07 -2.56 -1.46 1.13 -1.26 -4.91 117.38 109.39 1rgw n GLN 42 Ca 0.00 -0.58 -0.40 0.00 -1.94 0.00 0.00 57.00 54.08 1rgw n GLN 42 Cb 0.00 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 28.81 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 -2.33 4.56 -0.42 1.08 2.96 -1.26 -4.98 118.68 118.28 1rgw s LEU 43 Ca 0.30 2.16 0.09 0.00 -0.22 0.00 0.00 54.13 56.45 1rgw s LEU 43 Cb 0.20 -3.66 0.31 0.00 0.50 0.00 0.00 46.19 43.55 1rgw s LEU 43 CO 0.45 -0.07 0.84 -1.54 -1.32 0.00 0.00 176.35 174.72 1rgw n SER 44 N 1.21 -0.70 -4.54 3.68 3.41 -1.26 -4.68 113.62 110.73 1rgw n SER 44 Ca -0.01 -3.22 -0.44 0.00 -0.26 0.00 0.00 58.87 54.94 1rgw n SER 44 Cb 0.46 0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 64.83 1rgw n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rgw n GLN 45 N 0.62 1.41 0.00 4.33 6.02 -1.26 -4.64 117.38 123.86 1rgw n GLN 45 Ca 0.17 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 1rgw n GLN 45 Cb 0.65 -2.97 0.00 0.00 1.02 0.00 0.00 30.24 28.94 1rgw n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rgw n GLY 46 N 6.10 -0.24 0.00 1.08 0.00 -1.26 -4.46 105.19 106.40 1rgw n GLY 46 Ca 0.37 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -4.57 1.61 -0.08 -1.13 -4.76 116.55 107.62 1rgw n ASP 47 Ca 0.00 -0.38 -0.43 0.00 -1.51 0.00 0.00 54.79 52.47 1rgw n ASP 47 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 1rgw n ASP 47 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1rgw s LEU 48 N 0.00 4.11 0.27 -2.67 2.01 -1.26 -1.71 118.68 119.44 1rgw s LEU 48 Ca 0.00 0.21 -0.27 0.00 0.01 0.00 0.00 54.13 54.08 1rgw s LEU 48 Cb 0.00 -3.09 -0.09 0.00 0.01 0.00 0.00 46.19 43.02 1rgw s LEU 48 CO 0.00 -0.87 0.92 -0.69 1.01 0.00 0.00 176.35 176.71 1rgw s VAL 49 N 3.36 4.19 -0.05 -1.59 1.01 0.58 -0.03 120.40 127.88 1rgw s VAL 49 Ca 0.33 1.89 -0.04 0.00 0.00 0.00 0.00 61.98 64.16 1rgw s VAL 49 Cb -0.12 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1rgw s VAL 49 CO 0.21 0.31 -0.08 0.52 0.00 0.00 0.00 175.10 176.06 1rgw n VAL 50 N 1.00 0.40 -4.20 2.92 0.31 0.91 -4.50 118.33 115.17 1rgw n VAL 50 Ca -0.00 0.41 -0.18 0.00 -0.01 0.00 0.00 64.34 64.55 1rgw n VAL 50 Cb 0.49 -1.73 -0.12 0.00 -0.91 0.00 0.00 33.84 31.56 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 -2.96 1.11 -0.15 3.52 0.00 -0.50 -0.59 121.76 122.19 1rgw s ALA 51 Ca -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1rgw s ALA 51 Cb 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1rgw s ALA 51 CO 0.10 0.16 -0.20 -1.50 0.00 0.00 0.00 175.76 174.32 1rgw s ILE 52 N -1.16 1.97 -1.54 0.00 -1.16 0.41 -2.07 121.20 117.64 1rgw s ILE 52 Ca -0.02 -0.91 0.00 0.00 -0.51 0.00 0.00 60.65 59.21 1rgw s ILE 52 Cb -0.09 -1.76 0.00 0.00 0.61 0.00 0.00 42.46 41.22 1rgw s ILE 52 CO 0.02 0.53 0.00 -0.67 -2.81 0.00 0.00 174.94 172.01 1rgw n ASP 53 N 4.27 -5.66 0.00 4.50 2.03 -0.38 -0.20 116.55 121.10 1rgw n ASP 53 Ca -0.20 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1rgw n ASP 53 Cb 0.51 -4.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.46 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 0.04 0.36 3.46 0.27 0.00 -1.26 -4.94 105.19 103.11 1rgw n GLY 54 Ca -0.14 0.00 -0.33 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 -2.00 3.52 0.50 1.61 1.01 0.71 -4.99 120.40 120.76 1rgw s VAL 55 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 1rgw s VAL 55 Cb 0.00 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 1rgw s VAL 55 CO 0.00 0.52 1.24 0.54 0.00 0.00 0.00 175.10 177.40 1rgw s ASN 56 N 0.18 5.78 -1.51 3.32 6.03 -1.26 -0.45 114.94 127.02 1rgw s ASN 56 Ca -0.04 2.48 -0.09 0.00 -1.03 0.00 0.00 52.86 54.18 1rgw s ASN 56 Cb -0.14 -2.61 -0.01 0.00 -3.03 0.00 0.00 41.25 35.45 1rgw s ASN 56 CO 0.04 -1.20 2.70 0.35 -2.03 0.00 0.00 177.10 176.96 1rgw n THR 57 N -0.75 4.53 0.11 0.54 -2.24 0.24 -4.74 114.28 111.96 1rgw n THR 57 Ca 0.09 -3.19 -0.13 0.00 -2.27 0.00 0.00 64.05 58.54 1rgw n THR 57 Cb 0.47 -2.45 -0.08 0.00 -2.10 0.00 0.00 70.33 66.17 1rgw n THR 57 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1rgw h ASP 58 N 4.99 -0.18 0.00 3.42 3.04 -1.91 -3.36 116.42 122.42 1rgw h ASP 58 Ca 0.79 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 54.54 1rgw h ASP 58 Cb 0.33 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.66 1rgw h ASP 58 CO 1.70 -0.08 0.00 1.07 -2.04 0.00 0.00 179.24 179.89 1rgw n THR 59 N -5.16 0.10 -1.69 1.15 5.66 -1.26 -5.00 114.28 108.07 1rgw n THR 59 Ca -0.09 -0.38 -0.43 0.00 -3.05 0.00 0.00 64.05 60.10 1rgw n THR 59 Cb 0.13 1.24 -0.01 0.00 -1.55 0.00 0.00 70.33 70.13 1rgw n THR 59 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1rgw n MET 60 N -0.05 2.13 -3.23 1.09 2.81 -1.26 -4.73 117.12 113.88 1rgw n MET 60 Ca 0.00 0.75 -0.19 0.00 -1.81 0.00 0.00 57.70 56.45 1rgw n MET 60 Cb 0.13 -2.36 -0.01 0.00 -0.71 0.00 0.00 33.22 30.27 1rgw n MET 60 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1rgw n THR 61 N 0.82 0.00 0.06 2.03 -2.24 -1.26 -2.98 114.28 110.71 1rgw n THR 61 Ca 0.07 -1.50 -0.15 0.00 -2.27 0.00 0.00 64.05 60.19 1rgw n THR 61 Cb 0.35 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.42 1rgw n THR 61 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1rgw h HIS 62 N 0.74 -1.52 -0.33 4.78 2.76 -1.92 -1.39 115.15 118.27 1rgw h HIS 62 Ca -0.25 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 57.97 1rgw h HIS 62 Cb 0.86 0.66 -0.02 0.00 1.55 0.00 0.00 27.41 30.46 1rgw h HIS 62 CO 0.00 -0.57 0.20 1.25 -1.30 0.00 0.00 177.93 177.51 1rgw h LEU 63 N -0.66 0.40 -0.01 0.26 5.85 -1.97 -1.77 115.31 117.41 1rgw h LEU 63 Ca 0.02 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1rgw h LEU 63 Cb 0.72 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1rgw h LEU 63 CO -0.35 0.34 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.55 1rgw h GLU 64 N 0.43 -0.32 -0.59 1.25 4.39 -1.94 0.15 114.58 117.95 1rgw h GLU 64 Ca 0.12 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.77 1rgw h GLU 64 Cb 0.01 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1rgw h GLU 64 CO -0.02 -0.21 0.07 0.00 -1.16 0.00 0.00 179.01 177.68 1rgw h ALA 65 N 0.56 1.00 -0.29 3.43 0.00 -1.23 0.36 119.26 123.08 1rgw h ALA 65 Ca 0.06 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1rgw h ALA 65 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1rgw h ALA 65 CO -0.20 0.63 0.14 0.37 0.00 0.00 0.00 179.25 180.19 1rgw h GLN 66 N 0.92 0.29 -0.10 0.00 4.15 -1.11 -1.32 115.11 117.94 1rgw h GLN 66 Ca 0.18 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.61 1rgw h GLN 66 Cb 0.44 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1rgw h GLN 66 CO 0.01 0.19 -0.04 -0.91 -1.93 0.00 0.00 178.83 176.16 1rgw h ASN 67 N 0.30 -0.13 -0.08 -0.69 2.35 -0.35 -2.16 115.58 114.82 1rgw h ASN 67 Ca 0.12 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1rgw h ASN 67 Cb 0.04 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1rgw h ASN 67 CO -0.09 -0.05 0.02 0.11 -1.65 0.00 0.00 177.43 175.77 1rgw h LYS 68 N -0.02 0.06 -0.53 0.81 1.79 -0.78 -2.38 116.57 115.51 1rgw h LYS 68 Ca 0.05 -0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.63 1rgw h LYS 68 Cb 0.10 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 30.65 1rgw h LYS 68 CO -0.12 0.04 -0.04 0.82 -1.08 0.00 0.00 179.45 179.07 1rgw h ILE 69 N 0.06 0.54 0.00 1.86 2.04 -1.27 -2.09 117.51 118.65 1rgw h ILE 69 Ca 0.03 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1rgw h ILE 69 Cb 0.02 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1rgw h ILE 69 CO -0.04 0.01 0.00 0.29 0.00 0.00 0.00 178.15 178.42 1rgw n LYS 70 N -5.29 0.64 0.15 2.37 4.01 -0.82 -2.71 118.16 116.52 1rgw n LYS 70 Ca 0.06 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.93 1rgw n LYS 70 Cb 0.29 -1.27 0.06 0.00 -0.51 0.00 0.00 35.03 33.60 1rgw n LYS 70 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1rgw h SER 71 N 0.00 0.00 -3.47 4.39 0.02 -0.91 -3.47 113.55 110.11 1rgw h SER 71 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 1rgw h SER 71 Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 1rgw h SER 71 CO 0.00 0.26 -0.69 0.00 -1.14 0.00 0.00 176.83 175.26 1rgw s ALA 72 N -3.10 3.14 0.00 3.77 0.00 -1.10 -4.96 121.76 119.51 1rgw s ALA 72 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1rgw s ALA 72 Cb 0.07 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1rgw s ALA 72 CO 0.73 0.65 0.00 -1.13 0.00 0.00 0.00 175.76 176.02 1rgw n SER 73 N 1.03 0.00 0.12 0.00 3.41 -1.26 -4.90 113.62 112.02 1rgw n SER 73 Ca -0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.39 1rgw n SER 73 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.36 -2.98 7.33 3.20 -1.89 -2.72 116.97 119.55 1rgw h TYR 74 Ca 0.00 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.70 1rgw h TYR 74 Cb 0.00 0.12 -0.27 0.00 1.54 0.00 0.00 36.73 38.12 1rgw h TYR 74 CO 0.00 -0.08 -0.41 0.54 -1.64 0.00 0.00 178.16 176.57 1rgw s ASN 75 N -5.17 -0.32 -0.19 -2.11 6.03 -1.26 -4.47 114.94 107.45 1rgw s ASN 75 Ca -0.09 0.60 0.00 0.00 -1.03 0.00 0.00 52.86 52.34 1rgw s ASN 75 Cb 0.01 0.55 0.04 0.00 -3.03 0.00 0.00 41.25 38.82 1rgw s ASN 75 CO 0.32 -0.13 -0.07 -0.22 -2.03 0.00 0.00 177.10 174.96 1rgw s LEU 76 N 0.68 2.04 -0.27 3.54 2.96 -0.55 -4.89 118.68 122.18 1rgw s LEU 76 Ca -0.04 -0.84 -0.10 0.00 -0.22 0.00 0.00 54.13 52.92 1rgw s LEU 76 Cb -0.06 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 1rgw s LEU 76 CO -0.04 -0.18 0.17 -0.44 -1.32 0.00 0.00 176.35 174.54 1rgw s SER 77 N 1.50 5.87 -0.02 3.68 0.01 -1.26 0.07 113.70 123.56 1rgw s SER 77 Ca -0.01 -0.04 0.05 0.00 1.31 0.00 0.00 55.95 57.26 1rgw s SER 77 Cb -0.16 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 1rgw s SER 77 CO -0.08 -0.05 -0.16 -0.76 0.41 0.00 0.00 173.24 172.61 1rgw s LEU 78 N 1.73 2.66 -0.11 2.44 2.01 -0.83 -1.26 118.68 125.33 1rgw s LEU 78 Ca 0.07 -0.28 -0.02 0.00 0.01 0.00 0.00 54.13 53.91 1rgw s LEU 78 Cb -0.16 -1.54 0.04 0.00 0.01 0.00 0.00 46.19 44.54 1rgw s LEU 78 CO 0.10 0.31 0.02 -0.89 1.01 0.00 0.00 176.35 176.90 1rgw s THR 79 N -0.79 0.39 0.13 5.49 2.01 -0.88 -2.36 115.64 119.62 1rgw s THR 79 Ca 0.13 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.08 1rgw s THR 79 Cb -0.11 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1rgw s THR 79 CO 0.02 0.10 -0.07 -1.48 -0.69 0.00 0.00 174.62 172.50 1rgw s LEU 80 N 1.95 2.47 0.26 4.42 2.34 -1.10 -0.06 118.68 128.97 1rgw s LEU 80 Ca 0.03 -1.03 -0.12 0.00 0.06 0.00 0.00 54.13 53.07 1rgw s LEU 80 Cb -0.14 -0.19 -0.08 0.00 -0.56 0.00 0.00 46.19 45.22 1rgw s LEU 80 CO -0.06 -0.42 0.62 -1.10 -1.06 0.00 0.00 176.35 174.33 1rgw s GLN 81 N -3.81 3.89 -0.52 1.48 -0.21 0.96 -1.34 119.66 120.10 1rgw s GLN 81 Ca 0.15 0.44 -0.27 0.00 0.02 0.00 0.00 55.36 55.70 1rgw s GLN 81 Cb 0.04 -2.57 0.03 0.00 1.00 0.00 0.00 33.01 31.51 1rgw s GLN 81 CO -0.01 0.26 1.09 0.21 -2.12 0.00 0.00 175.29 174.72 1rgw s LYS 82 N -2.85 3.56 0.00 2.91 2.47 -0.76 -4.14 119.74 120.92 1rgw s LYS 82 Ca 0.50 0.26 0.00 0.00 -1.56 0.00 0.00 55.97 55.17 1rgw s LYS 82 Cb -0.11 -3.97 0.00 0.00 -1.46 0.00 0.00 37.83 32.29 1rgw s LYS 82 CO 0.20 -1.48 0.00 0.45 0.16 0.00 0.00 175.35 174.67 1rgw n SER 83 N 7.90 0.00 -4.66 1.43 2.88 -1.26 -4.74 113.62 115.17 1rgw n SER 83 Ca 0.08 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.23 1rgw n SER 83 Cb 0.49 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 1rgw n SER 83 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1rgw s LYS 84 N 1.62 4.17 0.00 -1.46 3.01 -1.26 -5.17 119.74 120.65 1rgw s LYS 84 Ca 0.00 0.41 0.00 0.00 -1.01 0.00 0.00 55.97 55.37 1rgw s LYS 84 Cb 0.00 -3.58 0.00 0.00 -1.01 0.00 0.00 37.83 33.24 1rgw s LYS 84 CO 0.00 -0.18 0.36 0.54 0.51 0.00 0.00 175.35 176.57