#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 4.39 0.12 3.04 0.00 -1.26 -2.28 121.76 125.77 1rgw s ALA 2 Ca 0.00 -1.70 0.06 0.00 0.00 0.00 0.00 51.96 50.32 1rgw s ALA 2 Cb 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1rgw s ALA 2 CO 0.00 -0.25 -0.15 1.52 0.00 0.00 0.00 175.76 176.88 1rgw s TYR 3 N -2.36 1.47 -0.05 0.00 1.13 -0.22 -4.95 117.35 112.37 1rgw s TYR 3 Ca 0.53 -0.52 0.04 0.00 -1.41 0.00 0.00 57.07 55.71 1rgw s TYR 3 Cb -0.08 -0.77 -0.00 0.00 -1.10 0.00 0.00 41.96 40.00 1rgw s TYR 3 CO 0.32 0.16 -0.18 0.45 -2.51 0.00 0.00 175.55 173.79 1rgw s SER 4 N -2.31 2.23 -0.03 -0.18 0.15 -1.26 -2.40 113.70 109.90 1rgw s SER 4 Ca 0.08 -0.37 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 1rgw s SER 4 Cb -0.06 -0.67 0.01 0.00 -1.71 0.00 0.00 66.02 63.59 1rgw s SER 4 CO 0.03 0.15 0.07 0.54 1.20 0.00 0.00 173.24 175.24 1rgw s VAL 5 N 0.09 -0.02 -0.24 4.45 0.11 -0.97 -5.01 120.40 118.81 1rgw s VAL 5 Ca -0.05 0.06 -0.07 0.00 -2.93 0.00 0.00 61.98 58.99 1rgw s VAL 5 Cb -0.12 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1rgw s VAL 5 CO 0.03 0.02 0.05 -0.89 -3.33 0.00 0.00 175.10 170.98 1rgw s THR 6 N 0.35 4.20 -0.08 5.04 2.01 -1.26 -1.83 115.64 124.08 1rgw s THR 6 Ca -0.03 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1rgw s THR 6 Cb -0.04 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1rgw s THR 6 CO -0.01 0.37 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.96 1rgw s LEU 7 N 1.44 2.93 0.08 4.42 2.96 0.11 -4.91 118.68 125.71 1rgw s LEU 7 Ca 0.05 -0.15 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 1rgw s LEU 7 Cb -0.15 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1rgw s LEU 7 CO 0.03 0.30 -0.22 0.28 -1.32 0.00 0.00 176.35 175.42 1rgw s THR 8 N -0.43 1.76 0.00 3.68 -1.32 -1.26 -0.12 115.64 117.94 1rgw s THR 8 Ca 0.06 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 1rgw s THR 8 Cb -0.12 -1.56 0.00 0.00 -1.51 0.00 0.00 72.50 69.31 1rgw s THR 8 CO 0.02 0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 1rgw n GLY 9 N 1.43 3.18 3.86 6.08 0.00 -1.08 -5.06 105.19 113.60 1rgw n GLY 9 Ca -0.18 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.23 2.20 0.00 1.61 0.04 -1.26 -4.72 135.00 130.64 1rgw s PRO 10 Ca 0.00 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1rgw s PRO 10 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1rgw s PRO 10 CO 0.00 -1.48 0.00 0.41 0.04 0.00 0.00 177.00 175.97 1rgw n GLY 11 N -2.76 0.43 2.54 0.56 0.00 -1.26 -4.78 105.19 99.92 1rgw n GLY 11 Ca 0.07 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1rgw n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rgw n PRO 12 N 0.88 3.61 0.00 1.61 -0.04 -1.26 -4.90 135.00 134.90 1rgw n PRO 12 Ca 0.00 -2.73 0.00 0.00 -0.04 0.00 0.00 63.50 60.73 1rgw n PRO 12 Cb 0.00 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 1rgw n PRO 12 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1rgw n TRP 13 N 4.02 0.00 0.00 0.54 7.02 -1.26 -4.61 117.44 123.15 1rgw n TRP 13 Ca 0.63 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 57.11 1rgw n TRP 13 Cb 0.30 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.19 1rgw n TRP 13 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rgw n GLY 14 N 0.00 0.53 3.15 6.99 0.00 -1.26 -2.66 105.19 111.93 1rgw n GLY 14 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 0.87 -0.13 1.61 -0.71 -1.26 0.11 117.98 118.47 1rgw s PHE 15 Ca 0.00 -0.77 -0.01 0.00 -1.04 0.00 0.00 56.93 55.11 1rgw s PHE 15 Cb 0.00 -0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 41.29 1rgw s PHE 15 CO 0.00 -0.10 -0.08 1.03 -1.34 0.00 0.00 175.22 174.73 1rgw s ARG 16 N -3.12 3.39 -0.16 1.99 3.00 0.33 -4.87 118.95 119.50 1rgw s ARG 16 Ca 0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 55.73 55.18 1rgw s ARG 16 Cb 0.00 -2.74 -0.01 0.00 0.00 0.00 0.00 34.95 32.20 1rgw s ARG 16 CO -0.03 0.31 -0.11 -0.51 0.00 0.00 0.00 175.30 174.97 1rgw s LEU 17 N 0.14 2.74 0.06 2.53 1.02 -1.26 -0.51 118.68 123.40 1rgw s LEU 17 Ca -0.04 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 53.77 1rgw s LEU 17 Cb -0.14 -1.65 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 1rgw s LEU 17 CO 0.04 0.09 -0.09 -1.10 0.02 0.00 0.00 176.35 175.30 1rgw s GLN 18 N 0.79 0.65 0.55 1.70 -0.21 -1.17 -4.93 119.66 117.05 1rgw s GLN 18 Ca -0.04 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.45 1rgw s GLN 18 Cb -0.15 -0.44 0.00 0.00 1.00 0.00 0.00 33.01 33.42 1rgw s GLN 18 CO 0.01 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.67 1rgw n GLY 19 N 1.21 -2.22 0.00 3.09 0.00 -1.26 -3.28 105.19 102.72 1rgw n GLY 19 Ca -0.21 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.37 0.92 0.00 -0.02 0.00 -1.10 -3.67 105.19 100.95 1rgw n GLY 20 Ca 0.00 -1.91 0.03 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.94 0.05 -0.27 1.61 3.00 -1.14 -1.55 118.16 117.93 1rgw n LYS 21 Ca 0.00 0.29 -0.03 0.00 -0.00 0.00 0.00 58.31 58.57 1rgw n LYS 21 Cb 0.00 -1.50 0.08 0.00 0.00 0.00 0.00 35.03 33.61 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 0.78 -0.00 3.14 3.58 -1.90 -3.12 116.42 118.91 1rgw h ASP 22 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1rgw h ASP 22 Cb 0.09 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1rgw h ASP 22 CO 0.00 0.55 -0.77 0.49 -2.88 0.00 0.00 179.24 176.62 1rgw n PHE 23 N -4.63 0.00 -2.76 0.28 3.01 -0.95 -4.99 117.46 107.42 1rgw n PHE 23 Ca 0.08 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.45 1rgw n PHE 23 Cb 0.08 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.59 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 -1.33 -2.61 -5.00 4.37 3.02 -0.95 -5.05 115.26 107.71 1rgw n ASN 24 Ca 0.03 -0.28 -0.18 0.00 -0.03 0.00 0.00 54.58 54.13 1rgw n ASN 24 Cb 0.27 -2.63 0.03 0.00 -0.61 0.00 0.00 39.78 36.83 1rgw n ASN 24 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1rgw s MET 25 N -4.91 2.65 0.81 3.52 1.75 -0.59 -4.96 119.30 117.55 1rgw s MET 25 Ca 0.08 -1.26 -0.11 0.00 -1.25 0.00 0.00 55.69 53.15 1rgw s MET 25 Cb -0.03 -2.69 0.08 0.00 2.84 0.00 0.00 34.83 35.03 1rgw s MET 25 CO 0.34 -0.49 1.12 -1.25 -0.65 0.00 0.00 175.02 174.09 1rgw s PRO 26 N -4.49 1.86 -0.73 4.11 0.04 -1.26 -4.03 135.00 130.49 1rgw s PRO 26 Ca 0.57 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 1rgw s PRO 26 Cb -0.09 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1rgw s PRO 26 CO 0.35 -1.97 1.30 -1.17 0.04 0.00 0.00 177.00 175.55 1rgw s LEU 27 N -6.02 3.17 0.02 -3.56 0.20 -1.26 -2.72 118.68 108.50 1rgw s LEU 27 Ca 0.64 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 55.07 1rgw s LEU 27 Cb -0.20 -2.57 -0.04 0.00 -0.43 0.00 0.00 46.19 42.95 1rgw s LEU 27 CO 0.55 -1.85 0.03 0.42 -0.29 0.00 0.00 176.35 175.20 1rgw s THR 28 N 5.84 4.31 0.11 3.68 -4.23 -1.21 -0.32 115.64 123.82 1rgw s THR 28 Ca 0.36 -0.63 0.03 0.00 -1.18 0.00 0.00 61.69 60.27 1rgw s THR 28 Cb -0.08 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1rgw s THR 28 CO 0.15 0.30 0.14 -0.63 -0.54 0.00 0.00 174.62 174.05 1rgw s ILE 29 N -1.18 4.72 -0.01 2.99 1.01 -1.04 -3.04 121.20 124.66 1rgw s ILE 29 Ca 0.22 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1rgw s ILE 29 Cb -0.12 -3.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.01 1rgw s ILE 29 CO 0.14 0.03 -0.03 -1.20 0.00 0.00 0.00 174.94 173.88 1rgw n SER 30 N 0.06 0.23 -4.00 3.58 7.64 0.34 -3.07 113.62 118.39 1rgw n SER 30 Ca -0.08 0.04 -0.09 0.00 1.01 0.00 0.00 58.87 59.75 1rgw n SER 30 Cb 0.53 -0.31 -0.08 0.00 -1.01 0.00 0.00 64.21 63.34 1rgw n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rgw s ARG 31 N -1.22 1.00 0.20 1.43 1.70 -1.24 -4.66 118.95 116.17 1rgw s ARG 31 Ca -0.02 -1.22 -0.19 0.00 -0.47 0.00 0.00 55.73 53.83 1rgw s ARG 31 Cb 0.00 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.63 1rgw s ARG 31 CO 0.03 -0.33 0.70 0.42 -1.08 0.00 0.00 175.30 175.04 1rgw s ILE 32 N -3.97 4.60 0.02 4.99 1.09 -1.26 -0.51 121.20 126.15 1rgw s ILE 32 Ca 0.16 1.25 -0.29 0.00 -1.10 0.00 0.00 60.65 60.68 1rgw s ILE 32 Cb 0.05 -3.86 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 1rgw s ILE 32 CO -0.02 0.25 0.91 -0.89 -0.10 0.00 0.00 174.94 175.10 1rgw s THR 33 N -1.47 4.80 0.44 2.92 2.01 0.12 -4.92 115.64 119.53 1rgw s THR 33 Ca 0.41 1.93 -0.24 0.00 0.31 0.00 0.00 61.69 64.10 1rgw s THR 33 Cb -0.17 -4.26 -0.08 0.00 0.01 0.00 0.00 72.50 68.00 1rgw s THR 33 CO 0.21 0.23 1.23 -2.16 -0.69 0.00 0.00 174.62 173.44 1rgw s PRO 34 N 0.65 3.83 0.00 4.92 0.04 -1.26 -3.98 135.00 139.20 1rgw s PRO 34 Ca 0.47 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1rgw s PRO 34 Cb -0.21 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1rgw s PRO 34 CO 0.27 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1rgw n GLY 35 N 0.60 0.75 2.85 0.56 0.00 -1.26 -5.05 105.19 103.64 1rgw n GLY 35 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1rgw n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rgw n SER 36 N 0.00 2.99 0.15 1.61 2.88 -1.26 -5.02 113.62 114.98 1rgw n SER 36 Ca 0.00 -2.75 0.04 0.00 -1.33 0.00 0.00 58.87 54.83 1rgw n SER 36 Cb 0.00 0.31 0.46 0.00 -0.75 0.00 0.00 64.21 64.23 1rgw n SER 36 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1rgw h LYS 37 N 0.00 0.18 -0.74 -1.46 6.56 -1.91 -0.86 116.57 118.34 1rgw h LYS 37 Ca -0.33 -0.03 0.13 0.00 -1.06 0.00 0.00 60.65 59.37 1rgw h LYS 37 Cb 1.00 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.58 1rgw h LYS 37 CO 0.54 0.27 0.49 0.00 -2.06 0.00 0.00 179.45 178.69 1rgw h ALA 38 N 1.75 2.05 0.12 3.86 0.00 -1.79 -1.90 119.26 123.35 1rgw h ALA 38 Ca 0.04 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 1rgw h ALA 38 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rgw h ALA 38 CO 0.01 -0.24 -1.39 0.00 0.00 0.00 0.00 179.25 177.63 1rgw h ALA 39 N 1.65 0.15 -0.01 0.00 0.00 -1.41 -3.40 119.26 116.24 1rgw h ALA 39 Ca 0.36 -1.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.02 1rgw h ALA 39 Cb 0.75 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1rgw h ALA 39 CO -0.12 0.80 -0.84 1.96 0.00 0.00 0.00 179.25 181.06 1rgw h GLN 40 N -0.27 0.23 0.00 0.00 1.08 -1.11 -3.48 115.11 111.56 1rgw h GLN 40 Ca -0.29 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1rgw h GLN 40 Cb 1.78 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.27 1rgw h GLN 40 CO 0.08 0.94 0.00 0.45 -0.95 0.00 0.00 178.83 179.35 1rgw n SER 41 N -3.70 0.00 -1.12 1.46 2.88 -0.73 -4.93 113.62 107.48 1rgw n SER 41 Ca -0.04 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.59 1rgw n SER 41 Cb 0.78 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.50 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 2.48 -2.84 -1.46 6.02 -1.26 -4.88 117.38 115.44 1rgw n GLN 42 Ca 0.00 -2.13 -0.41 0.00 -0.01 0.00 0.00 57.00 54.46 1rgw n GLN 42 Cb 0.00 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 1rgw n GLN 42 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1rgw s LEU 43 N -1.09 4.46 -0.40 1.08 2.96 -1.26 -4.95 118.68 119.47 1rgw s LEU 43 Ca 0.39 1.61 0.08 0.00 -0.22 0.00 0.00 54.13 56.00 1rgw s LEU 43 Cb 0.21 -3.42 0.27 0.00 0.50 0.00 0.00 46.19 43.75 1rgw s LEU 43 CO 0.25 -0.06 0.65 -1.54 -1.32 0.00 0.00 176.35 174.33 1rgw n SER 44 N 2.96 -0.30 -4.48 3.68 3.41 -1.26 -4.63 113.62 113.00 1rgw n SER 44 Ca 0.01 -2.90 -0.43 0.00 -0.26 0.00 0.00 58.87 55.29 1rgw n SER 44 Cb 0.50 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.21 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 1.17 0.40 0.00 4.33 6.02 -1.26 -4.51 117.38 123.53 1rgw n GLN 45 Ca 0.19 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1rgw n GLN 45 Cb 0.58 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.72 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 6.47 0.00 2.39 1.08 0.00 -1.26 -4.39 105.19 109.48 1rgw n GLY 46 Ca 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.46 1rgw n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rgw n ASP 47 N 0.00 -0.95 -4.52 1.61 8.00 -1.18 -4.66 116.55 114.85 1rgw n ASP 47 Ca 0.00 -2.35 -0.43 0.00 0.71 0.00 0.00 54.79 52.72 1rgw n ASP 47 Cb 0.00 1.78 -0.06 0.00 -0.02 0.00 0.00 41.12 42.82 1rgw n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rgw s LEU 48 N 0.00 4.39 0.13 0.64 2.01 -0.69 -2.49 118.68 122.67 1rgw s LEU 48 Ca 0.21 -0.27 -0.30 0.00 0.01 0.00 0.00 54.13 53.78 1rgw s LEU 48 Cb -0.01 -2.83 -0.06 0.00 0.01 0.00 0.00 46.19 43.30 1rgw s LEU 48 CO 0.15 -0.88 1.07 -0.69 1.01 0.00 0.00 176.35 177.01 1rgw s VAL 49 N 3.09 4.13 -0.23 -1.59 1.01 0.56 0.32 120.40 127.70 1rgw s VAL 49 Ca 0.26 1.74 -0.14 0.00 0.00 0.00 0.00 61.98 63.84 1rgw s VAL 49 Cb -0.13 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 1rgw s VAL 49 CO 0.20 0.25 -0.33 0.52 0.00 0.00 0.00 175.10 175.75 1rgw n VAL 50 N 2.84 1.43 -4.11 2.92 0.31 0.80 -4.48 118.33 118.05 1rgw n VAL 50 Ca 0.04 -0.20 -0.09 0.00 -0.01 0.00 0.00 64.34 64.09 1rgw n VAL 50 Cb 0.47 -1.98 -0.10 0.00 -0.91 0.00 0.00 33.84 31.32 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 -2.58 0.64 -0.03 3.52 0.00 -0.44 -0.78 121.76 122.08 1rgw s ALA 51 Ca -0.33 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1rgw s ALA 51 Cb 0.11 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.47 1rgw s ALA 51 CO 0.43 -0.29 0.02 -1.50 0.00 0.00 0.00 175.76 174.42 1rgw s ILE 52 N -3.50 0.05 0.00 0.00 -1.16 0.05 -1.95 121.20 114.69 1rgw s ILE 52 Ca 0.06 0.17 0.00 0.00 -0.51 0.00 0.00 60.65 60.37 1rgw s ILE 52 Cb 0.05 -0.18 0.00 0.00 0.61 0.00 0.00 42.46 42.94 1rgw s ILE 52 CO -0.07 0.12 0.00 -0.67 -2.81 0.00 0.00 174.94 171.51 1rgw n ASP 53 N 4.25 0.00 0.00 4.50 2.03 -0.28 -0.08 116.55 126.97 1rgw n ASP 53 Ca -0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.06 1rgw n ASP 53 Cb 0.50 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 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 -2.00 0.95 3.40 0.27 0.00 -1.26 -4.98 105.19 101.57 1rgw n GLY 54 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.01 3.59 0.19 1.61 1.01 0.89 -5.04 120.40 120.64 1rgw s VAL 55 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 61.98 61.22 1rgw s VAL 55 Cb 0.00 -2.59 -0.11 0.00 0.00 0.00 0.00 36.38 33.68 1rgw s VAL 55 CO 0.00 0.46 1.68 0.54 0.00 0.00 0.00 175.10 177.78 1rgw s ASN 56 N 0.86 6.45 -1.05 3.32 6.03 -1.26 -0.77 114.94 128.52 1rgw s ASN 56 Ca -0.01 2.78 -0.05 0.00 -1.03 0.00 0.00 52.86 54.55 1rgw s ASN 56 Cb -0.15 -2.60 0.08 0.00 -3.03 0.00 0.00 41.25 35.56 1rgw s ASN 56 CO 0.01 -0.93 2.57 0.35 -2.03 0.00 0.00 177.10 177.07 1rgw n THR 57 N 4.03 4.59 0.12 0.54 -2.24 0.03 -4.76 114.28 116.59 1rgw n THR 57 Ca 0.15 -3.77 -0.13 0.00 -2.27 0.00 0.00 64.05 58.03 1rgw n THR 57 Cb 0.36 -1.96 -0.08 0.00 -2.10 0.00 0.00 70.33 66.55 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 4.11 -0.26 -0.34 3.42 3.58 -1.91 -3.20 116.42 121.82 1rgw h ASP 58 Ca 0.61 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.87 1rgw h ASP 58 Cb 0.46 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1rgw h ASP 58 CO 1.28 0.05 0.00 1.07 -2.88 0.00 0.00 179.24 178.76 1rgw n THR 59 N -5.10 1.69 -2.80 2.25 5.66 -1.26 -4.94 114.28 109.79 1rgw n THR 59 Ca -0.09 -1.42 -0.31 0.00 -3.05 0.00 0.00 64.05 59.17 1rgw n THR 59 Cb 0.23 0.11 -0.04 0.00 -1.55 0.00 0.00 70.33 69.08 1rgw n THR 59 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 1rgw s MET 60 N -1.94 3.90 0.55 1.09 -1.94 -1.21 -4.78 119.30 114.98 1rgw s MET 60 Ca 0.35 0.68 0.04 0.00 -1.71 0.00 0.00 55.69 55.05 1rgw s MET 60 Cb 0.25 -2.32 0.04 0.00 2.01 0.00 0.00 34.83 34.80 1rgw s MET 60 CO 0.13 -0.05 0.32 0.95 -0.01 0.00 0.00 175.02 176.36 1rgw s THR 61 N -2.34 1.41 0.19 2.05 -4.23 -1.26 -2.90 115.64 108.56 1rgw s THR 61 Ca 0.55 -1.62 -0.12 0.00 -1.18 0.00 0.00 61.69 59.32 1rgw s THR 61 Cb -0.10 -2.02 0.12 0.00 1.34 0.00 0.00 72.50 71.83 1rgw s THR 61 CO 0.27 0.00 1.73 1.12 -0.54 0.00 0.00 174.62 177.20 1rgw h HIS 62 N 0.83 0.28 -0.17 3.99 2.07 -1.93 -0.37 115.15 119.85 1rgw h HIS 62 Ca -0.38 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.17 1rgw h HIS 62 Cb 1.31 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.24 1rgw h HIS 62 CO 1.19 0.06 0.10 1.25 -3.07 0.00 0.00 177.93 177.46 1rgw h LEU 63 N 0.33 0.20 0.02 6.12 5.85 -1.96 0.32 115.31 126.19 1rgw h LEU 63 Ca 0.27 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1rgw h LEU 63 Cb 0.33 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1rgw h LEU 63 CO -0.30 0.19 -0.16 -0.33 -0.34 0.00 0.00 178.44 177.50 1rgw h GLU 64 N 0.20 -0.27 -0.71 1.25 4.39 -1.91 -1.40 114.58 116.13 1rgw h GLU 64 Ca 0.06 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 1rgw h GLU 64 Cb 0.02 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1rgw h GLU 64 CO -0.01 -0.18 0.25 0.00 -1.16 0.00 0.00 179.01 177.91 1rgw h ALA 65 N 0.63 1.10 -0.17 3.43 0.00 -0.93 -0.15 119.26 123.18 1rgw h ALA 65 Ca 0.05 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1rgw h ALA 65 Cb 0.34 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1rgw h ALA 65 CO -0.14 0.63 -0.22 0.37 0.00 0.00 0.00 179.25 179.89 1rgw h GLN 66 N 1.05 -0.25 0.00 0.00 5.75 -0.85 -1.63 115.11 119.18 1rgw h GLN 66 Ca 0.24 0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.70 1rgw h GLN 66 Cb 0.25 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1rgw h GLN 66 CO -0.01 -0.16 -0.24 -0.91 -2.65 0.00 0.00 178.83 174.85 1rgw h ASN 67 N -0.26 0.00 0.00 -0.69 2.35 -0.80 -0.67 115.58 115.52 1rgw h ASN 67 Ca 0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1rgw h ASN 67 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1rgw h ASN 67 CO -0.32 0.24 -0.00 0.11 -1.65 0.00 0.00 177.43 175.81 1rgw h LYS 68 N 0.00 -0.00 -0.43 0.81 1.79 -0.82 -3.18 116.57 114.73 1rgw h LYS 68 Ca -0.00 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 1rgw h LYS 68 Cb 0.59 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.15 1rgw h LYS 68 CO 0.03 0.85 -0.13 0.82 -1.08 0.00 0.00 179.45 179.94 1rgw h ILE 69 N -0.88 0.52 0.00 1.86 2.04 -1.26 -2.75 117.51 117.04 1rgw h ILE 69 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1rgw h ILE 69 Cb 0.86 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1rgw h ILE 69 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.44 1rgw n LYS 70 N -5.34 0.60 0.09 2.37 4.01 -0.26 -3.02 118.16 116.61 1rgw n LYS 70 Ca 0.03 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.64 1rgw n LYS 70 Cb 0.25 -1.29 -0.15 0.00 -0.51 0.00 0.00 35.03 33.33 1rgw n LYS 70 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1rgw h SER 71 N 0.00 0.54 -3.47 4.39 0.87 -1.46 -3.48 113.55 110.94 1rgw h SER 71 Ca 0.00 -0.66 -0.49 0.00 -1.23 0.00 0.00 61.79 59.41 1rgw h SER 71 Cb 0.00 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1rgw h SER 71 CO 0.00 1.53 0.06 0.00 -0.53 0.00 0.00 176.83 177.89 1rgw s ALA 72 N -2.62 3.45 0.00 6.23 0.00 -1.17 -4.98 121.76 122.67 1rgw s ALA 72 Ca -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1rgw s ALA 72 Cb 0.06 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1rgw s ALA 72 CO 0.88 -0.23 0.00 -1.13 0.00 0.00 0.00 175.76 175.28 1rgw n SER 73 N -1.99 0.00 0.18 0.00 3.41 -1.26 -4.94 113.62 109.02 1rgw n SER 73 Ca -0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1rgw n SER 73 Cb 0.55 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.46 -2.81 7.33 5.03 -1.90 -2.86 116.97 121.30 1rgw h TYR 74 Ca 0.00 -0.01 -0.17 0.00 2.58 0.00 0.00 58.73 61.13 1rgw h TYR 74 Cb 0.00 0.15 -0.30 0.00 1.55 0.00 0.00 36.73 38.14 1rgw h TYR 74 CO 0.00 -0.13 -0.44 0.54 -1.32 0.00 0.00 178.16 176.81 1rgw s ASN 75 N -5.00 -0.10 -0.29 -2.11 6.03 -1.26 -4.46 114.94 107.75 1rgw s ASN 75 Ca -0.13 0.70 -0.07 0.00 -1.03 0.00 0.00 52.86 52.32 1rgw s ASN 75 Cb 0.02 0.73 0.01 0.00 -3.03 0.00 0.00 41.25 38.98 1rgw s ASN 75 CO 0.49 -0.21 0.08 -0.22 -2.03 0.00 0.00 177.10 175.21 1rgw s LEU 76 N 1.90 3.83 -0.24 3.54 2.96 0.82 -4.90 118.68 126.59 1rgw s LEU 76 Ca -0.05 -0.71 -0.05 0.00 -0.22 0.00 0.00 54.13 53.10 1rgw s LEU 76 Cb -0.11 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 1rgw s LEU 76 CO -0.10 -0.19 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.18 1rgw s SER 77 N 1.49 4.57 0.06 3.68 0.15 -1.26 0.06 113.70 122.44 1rgw s SER 77 Ca 0.02 -0.45 0.07 0.00 0.70 0.00 0.00 55.95 56.30 1rgw s SER 77 Cb -0.17 -1.79 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 1rgw s SER 77 CO 0.02 -0.06 -0.17 -0.76 1.20 0.00 0.00 173.24 173.47 1rgw s LEU 78 N 1.49 2.68 -0.12 3.45 2.01 -0.76 -1.13 118.68 126.31 1rgw s LEU 78 Ca 0.05 -0.44 -0.03 0.00 0.01 0.00 0.00 54.13 53.72 1rgw s LEU 78 Cb -0.15 -1.56 0.05 0.00 0.01 0.00 0.00 46.19 44.54 1rgw s LEU 78 CO -0.01 0.24 0.04 -0.89 1.01 0.00 0.00 176.35 176.74 1rgw s THR 79 N -0.99 0.20 0.14 5.49 2.01 -0.82 -2.29 115.64 119.37 1rgw s THR 79 Ca 0.16 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.11 1rgw s THR 79 Cb -0.11 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1rgw s THR 79 CO 0.07 -0.02 -0.03 -1.48 -0.69 0.00 0.00 174.62 172.47 1rgw s LEU 80 N 2.02 2.31 0.00 4.42 2.34 -1.01 -0.14 118.68 128.62 1rgw s LEU 80 Ca 0.03 -1.09 0.03 0.00 0.06 0.00 0.00 54.13 53.15 1rgw s LEU 80 Cb -0.14 -0.07 -0.03 0.00 -0.56 0.00 0.00 46.19 45.38 1rgw s LEU 80 CO -0.07 -0.51 -0.04 -1.10 -1.06 0.00 0.00 176.35 173.57 1rgw s GLN 81 N -3.87 2.62 0.00 1.48 -0.21 0.15 -1.06 119.66 118.77 1rgw s GLN 81 Ca 0.18 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 54.87 1rgw s GLN 81 Cb 0.06 -2.56 0.00 0.00 1.00 0.00 0.00 33.01 31.51 1rgw s GLN 81 CO -0.00 0.61 0.00 1.63 -2.12 0.00 0.00 175.29 175.40 1rgw n LYS 82 N 1.47 0.00 -3.51 2.91 4.01 -0.97 -1.70 118.16 120.37 1rgw n LYS 82 Ca -0.15 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.27 1rgw n LYS 82 Cb 0.53 -0.22 -0.09 0.00 -0.51 0.00 0.00 35.03 34.74 1rgw n LYS 82 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1rgw s SER 83 N -1.51 6.24 0.03 4.39 0.15 -1.26 -4.69 113.70 117.05 1rgw s SER 83 Ca 0.00 0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.95 1rgw s SER 83 Cb 0.00 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 1rgw s SER 83 CO 0.00 -0.04 -0.02 -0.75 1.20 0.00 0.00 173.24 173.63 1rgw s LYS 84 N 1.38 2.64 0.00 5.44 2.20 -1.26 -4.25 119.74 125.89 1rgw s LYS 84 Ca 0.13 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 55.02 1rgw s LYS 84 Cb -0.15 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1rgw s LYS 84 CO 0.07 0.59 0.16 2.89 -0.36 0.00 0.00 175.35 178.70