#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgw n ALA 2 N 0.00 0.52 -2.65 -5.12 0.00 -1.26 -0.61 120.51 111.39 1rgw n ALA 2 Ca 0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 53.44 51.89 1rgw n ALA 2 Cb 0.00 1.15 -0.11 0.00 0.00 0.00 0.00 19.45 20.50 1rgw n ALA 2 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1rgw s TYR 3 N -2.96 0.35 -0.02 0.00 1.13 -0.47 -4.79 117.35 110.59 1rgw s TYR 3 Ca 0.27 -0.72 0.03 0.00 -1.41 0.00 0.00 57.07 55.25 1rgw s TYR 3 Cb 0.01 -0.26 -0.00 0.00 -1.10 0.00 0.00 41.96 40.61 1rgw s TYR 3 CO 0.19 -0.27 -0.11 0.45 -2.51 0.00 0.00 175.55 173.31 1rgw s SER 4 N -2.02 1.39 -0.08 -0.18 0.15 -1.26 -2.27 113.70 109.43 1rgw s SER 4 Ca -0.07 -0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.32 1rgw s SER 4 Cb -0.03 -0.32 0.04 0.00 -1.71 0.00 0.00 66.02 64.00 1rgw s SER 4 CO -0.04 0.10 0.18 0.54 1.20 0.00 0.00 173.24 175.21 1rgw s VAL 5 N 0.05 -0.04 -0.34 4.45 0.11 -0.75 -5.01 120.40 118.88 1rgw s VAL 5 Ca -0.01 0.15 -0.18 0.00 -2.93 0.00 0.00 61.98 59.00 1rgw s VAL 5 Cb -0.08 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1rgw s VAL 5 CO 0.00 0.06 0.54 -0.89 -3.33 0.00 0.00 175.10 171.48 1rgw s THR 6 N 1.09 5.00 -0.08 5.04 2.01 -1.26 -1.94 115.64 125.50 1rgw s THR 6 Ca -0.08 0.46 -0.05 0.00 0.31 0.00 0.00 61.69 62.33 1rgw s THR 6 Cb -0.10 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1rgw s THR 6 CO -0.06 -0.19 0.12 -0.22 -0.69 0.00 0.00 174.62 173.57 1rgw s LEU 7 N 2.44 4.18 -0.06 4.42 2.96 0.92 -4.86 118.68 128.69 1rgw s LEU 7 Ca 0.20 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 1rgw s LEU 7 Cb -0.15 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 1rgw s LEU 7 CO 0.13 0.36 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.49 1rgw s THR 8 N -1.07 3.08 0.00 3.68 2.01 -1.26 -0.26 115.64 121.81 1rgw s THR 8 Ca 0.18 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1rgw s THR 8 Cb -0.12 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1rgw s THR 8 CO 0.07 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 175.20 1rgw n GLY 9 N 2.42 1.33 3.59 4.40 0.00 -0.05 -5.04 105.19 111.84 1rgw n GLY 9 Ca -0.17 0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 3.28 0.00 1.61 0.02 -1.26 -4.53 135.00 134.12 1rgw s PRO 10 Ca 0.00 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.14 1rgw s PRO 10 Cb 0.00 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.34 1rgw s PRO 10 CO 0.00 -1.92 0.00 0.41 -0.33 0.00 0.00 177.00 175.16 1rgw n GLY 11 N 5.37 0.87 3.74 0.52 0.00 -1.26 -5.10 105.19 109.33 1rgw n GLY 11 Ca 0.20 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 1rgw n GLY 11 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rgw s PRO 12 N -1.53 2.26 -0.13 1.61 0.02 -1.26 -5.01 135.00 130.96 1rgw s PRO 12 Ca 0.00 1.51 -0.14 0.00 0.02 0.00 0.00 61.00 62.39 1rgw s PRO 12 Cb 0.00 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.60 1rgw s PRO 12 CO 0.00 -1.69 -0.28 0.91 -0.33 0.00 0.00 177.00 175.61 1rgw n TRP 13 N -2.91 0.00 0.00 6.54 7.02 -1.26 -4.79 117.44 122.05 1rgw n TRP 13 Ca 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.59 1rgw n TRP 13 Cb 0.51 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 29.01 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 1.73 0.71 3.34 6.99 0.00 -1.26 -2.99 105.19 113.71 1rgw n GLY 14 Ca -0.11 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.17 1.64 -0.29 1.61 -0.12 -1.26 -0.42 117.98 117.96 1rgw s PHE 15 Ca 0.00 -0.75 -0.10 0.00 -0.05 0.00 0.00 56.93 56.03 1rgw s PHE 15 Cb 0.00 -0.88 -0.03 0.00 -0.63 0.00 0.00 43.02 41.48 1rgw s PHE 15 CO 0.00 0.16 0.17 0.50 -0.05 0.00 0.00 175.22 176.00 1rgw s ARG 16 N -3.75 3.67 0.13 1.99 6.06 0.78 -4.91 118.95 122.92 1rgw s ARG 16 Ca 0.25 -0.50 -0.17 0.00 -2.50 0.00 0.00 55.73 52.80 1rgw s ARG 16 Cb 0.03 -3.60 -0.07 0.00 0.06 0.00 0.00 34.95 31.37 1rgw s ARG 16 CO 0.07 -0.29 0.59 -0.51 -2.50 0.00 0.00 175.30 172.67 1rgw s LEU 17 N 1.69 4.42 0.35 -0.88 2.01 -1.26 -0.40 118.68 124.60 1rgw s LEU 17 Ca 0.06 1.22 0.04 0.00 0.01 0.00 0.00 54.13 55.47 1rgw s LEU 17 Cb -0.16 -3.18 -0.03 0.00 0.01 0.00 0.00 46.19 42.83 1rgw s LEU 17 CO 0.08 0.16 0.18 -1.10 1.01 0.00 0.00 176.35 176.68 1rgw s GLN 18 N -1.61 1.75 4.59 1.70 -1.52 -1.06 -4.84 119.66 118.67 1rgw s GLN 18 Ca 0.35 -2.03 0.00 0.00 -1.95 0.00 0.00 55.36 51.73 1rgw s GLN 18 Cb -0.17 -0.17 0.00 0.00 -0.22 0.00 0.00 33.01 32.45 1rgw s GLN 18 CO 0.20 -0.51 0.00 0.41 -0.25 0.00 0.00 175.29 175.13 1rgw n GLY 19 N -0.71 2.53 0.00 3.09 0.00 -1.26 -3.75 105.19 105.09 1rgw n GLY 19 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 4.17 0.26 -0.02 0.00 -1.18 -4.89 105.19 103.53 1rgw n GLY 20 Ca 0.00 -1.55 0.15 0.00 0.00 0.00 0.00 46.02 44.62 1rgw n GLY 20 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1rgw h LYS 21 N 0.00 0.00 -0.52 1.61 1.63 -1.77 -2.44 116.57 115.08 1rgw h LYS 21 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1rgw h LYS 21 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1rgw h LYS 21 CO 0.00 0.07 0.34 0.22 -3.45 0.00 0.00 179.45 176.63 1rgw h ASP 22 N 0.00 0.56 -0.12 4.20 3.58 -1.89 -1.42 116.42 121.33 1rgw h ASP 22 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1rgw h ASP 22 Cb 0.62 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1rgw h ASP 22 CO 0.01 0.40 0.00 0.49 -2.88 0.00 0.00 179.24 177.26 1rgw n PHE 23 N -4.46 0.14 -2.83 0.28 3.01 -1.10 -4.93 117.46 107.57 1rgw n PHE 23 Ca 0.05 -0.07 -0.14 0.00 1.01 0.00 0.00 57.45 58.30 1rgw n PHE 23 Cb 0.09 0.00 0.03 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 0.52 -4.50 -4.89 4.37 3.02 -0.53 -5.06 115.26 108.19 1rgw n ASN 24 Ca 0.17 -0.21 -0.22 0.00 -0.03 0.00 0.00 54.58 54.29 1rgw n ASN 24 Cb 0.40 -3.31 0.06 0.00 -0.61 0.00 0.00 39.78 36.32 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 -5.38 2.27 0.79 3.52 1.75 -0.94 -4.99 119.30 116.32 1rgw s MET 25 Ca 0.23 -0.86 -0.11 0.00 -1.25 0.00 0.00 55.69 53.70 1rgw s MET 25 Cb -0.10 -2.43 0.07 0.00 2.84 0.00 0.00 34.83 35.21 1rgw s MET 25 CO 0.28 -0.96 1.10 -1.25 -0.65 0.00 0.00 175.02 173.55 1rgw s PRO 26 N -4.90 2.05 -0.63 4.11 0.05 -1.26 -4.10 135.00 130.32 1rgw s PRO 26 Ca 0.60 1.25 -0.25 0.00 0.05 0.00 0.00 61.00 62.64 1rgw s PRO 26 Cb -0.09 -1.87 0.04 0.00 0.05 0.00 0.00 34.50 32.64 1rgw s PRO 26 CO 0.40 -1.81 1.08 -1.17 0.05 0.00 0.00 177.00 175.56 1rgw s LEU 27 N -6.01 3.79 0.10 -3.56 0.20 -1.26 -3.12 118.68 108.82 1rgw s LEU 27 Ca 0.62 -0.41 0.04 0.00 0.69 0.00 0.00 54.13 55.08 1rgw s LEU 27 Cb -0.18 -2.75 -0.04 0.00 -0.43 0.00 0.00 46.19 42.78 1rgw s LEU 27 CO 0.56 -1.48 0.03 0.42 -0.29 0.00 0.00 176.35 175.59 1rgw s THR 28 N 4.63 4.18 0.04 3.68 -4.23 -1.25 -0.83 115.64 121.86 1rgw s THR 28 Ca 0.33 -0.96 0.09 0.00 -1.18 0.00 0.00 61.69 59.97 1rgw s THR 28 Cb -0.11 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 1rgw s THR 28 CO 0.18 0.09 -0.26 -0.63 -0.54 0.00 0.00 174.62 173.46 1rgw s ILE 29 N -1.38 2.08 0.00 2.99 1.01 -0.69 -2.56 121.20 122.65 1rgw s ILE 29 Ca 0.27 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1rgw s ILE 29 Cb -0.12 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1rgw s ILE 29 CO 0.20 0.38 0.00 -0.24 0.00 0.00 0.00 174.94 175.28 1rgw n SER 30 N 1.88 0.00 -4.61 3.58 2.88 0.46 -2.60 113.62 115.21 1rgw n SER 30 Ca -0.17 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.10 1rgw n SER 30 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 1rgw n SER 30 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1rgw s ARG 31 N 0.00 1.94 0.24 -1.46 0.52 -1.25 -4.52 118.95 114.42 1rgw s ARG 31 Ca 0.00 -2.09 -0.14 0.00 -0.52 0.00 0.00 55.73 52.98 1rgw s ARG 31 Cb 0.00 -1.63 -0.08 0.00 0.52 0.00 0.00 34.95 33.76 1rgw s ARG 31 CO 0.00 -0.04 0.64 0.42 0.02 0.00 0.00 175.30 176.34 1rgw s ILE 32 N -2.71 4.77 0.10 1.52 1.09 -1.26 -0.15 121.20 124.55 1rgw s ILE 32 Ca 0.35 0.84 -0.30 0.00 -1.10 0.00 0.00 60.65 60.44 1rgw s ILE 32 Cb 0.09 -3.68 -0.05 0.00 -1.06 0.00 0.00 42.46 37.75 1rgw s ILE 32 CO 0.18 0.02 0.96 -0.89 -0.10 0.00 0.00 174.94 175.10 1rgw s THR 33 N -1.73 4.55 0.49 2.92 2.01 0.44 -4.89 115.64 119.43 1rgw s THR 33 Ca 0.46 2.06 0.31 0.00 0.31 0.00 0.00 61.69 64.83 1rgw s THR 33 Cb -0.13 -4.32 0.50 0.00 0.01 0.00 0.00 72.50 68.57 1rgw s THR 33 CO 0.19 0.30 1.79 -0.65 -0.69 0.00 0.00 174.62 175.56 1rgw h PRO 34 N 5.71 0.12 -0.98 4.92 0.11 -1.98 -3.18 132.00 136.71 1rgw h PRO 34 Ca -0.43 -0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.20 1rgw h PRO 34 Cb 1.21 -0.03 -0.42 0.00 0.11 0.00 0.00 31.00 31.88 1rgw h PRO 34 CO 0.72 0.08 -0.91 0.41 -0.21 0.00 0.00 178.00 178.09 1rgw n GLY 35 N -1.67 4.67 2.14 -0.55 0.00 -1.26 -4.87 105.19 103.65 1rgw n GLY 35 Ca 0.26 -2.19 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.51 1.50 0.09 1.61 2.88 -1.20 -5.04 113.62 112.95 1rgw n SER 36 Ca 0.30 -2.37 0.03 0.00 -1.33 0.00 0.00 58.87 55.51 1rgw n SER 36 Cb 0.82 0.56 0.43 0.00 -0.75 0.00 0.00 64.21 65.26 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 0.32 -1.11 -1.46 1.57 -1.87 -2.34 116.57 111.69 1rgw h LYS 37 Ca -0.21 -0.05 0.34 0.00 -1.87 0.00 0.00 60.65 58.86 1rgw h LYS 37 Cb 0.77 -0.06 -0.13 0.00 0.08 0.00 0.00 32.23 32.89 1rgw h LYS 37 CO 0.34 0.33 0.68 0.00 -0.57 0.00 0.00 179.45 180.23 1rgw h ALA 38 N 1.72 2.25 0.00 3.86 0.00 -1.82 -2.01 119.26 123.26 1rgw h ALA 38 Ca 0.08 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1rgw h ALA 38 Cb 0.17 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1rgw h ALA 38 CO 0.00 -0.82 -0.93 0.00 0.00 0.00 0.00 179.25 177.50 1rgw h ALA 39 N 1.72 0.65 0.01 0.00 0.00 -1.63 -3.41 119.26 116.60 1rgw h ALA 39 Ca 0.72 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1rgw h ALA 39 Cb 1.89 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1rgw h ALA 39 CO -0.47 0.46 -0.19 1.96 0.00 0.00 0.00 179.25 181.02 1rgw h GLN 40 N 0.00 0.10 0.00 0.00 4.20 -1.42 -3.49 115.11 114.51 1rgw h GLN 40 Ca -0.06 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1rgw h GLN 40 Cb 1.29 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1rgw h GLN 40 CO 0.03 0.95 0.00 -1.13 -0.67 0.00 0.00 178.83 178.01 1rgw n SER 41 N -4.54 0.00 -0.10 1.46 3.41 -1.23 -4.91 113.62 107.71 1rgw n SER 41 Ca -0.10 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.61 1rgw n SER 41 Cb 0.51 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 1rgw n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rgw n GLN 42 N 0.00 0.26 -2.96 4.33 1.13 -1.26 -5.02 117.38 113.87 1rgw n GLN 42 Ca 0.00 -0.21 -0.33 0.00 -1.94 0.00 0.00 57.00 54.52 1rgw n GLN 42 Cb 0.00 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 28.79 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 -2.89 4.05 -0.39 1.08 2.96 -1.26 -5.03 118.68 117.20 1rgw s LEU 43 Ca 0.11 1.53 0.05 0.00 -0.22 0.00 0.00 54.13 55.59 1rgw s LEU 43 Cb 0.17 -4.25 0.16 0.00 0.50 0.00 0.00 46.19 42.77 1rgw s LEU 43 CO 0.79 -0.25 0.45 -0.94 -1.32 0.00 0.00 176.35 175.08 1rgw s SER 44 N -2.13 0.44 -0.54 3.68 1.04 -1.26 -4.80 113.70 110.13 1rgw s SER 44 Ca 0.57 -1.56 -0.30 0.00 0.48 0.00 0.00 55.95 55.14 1rgw s SER 44 Cb -0.11 0.88 -0.12 0.00 0.10 0.00 0.00 66.02 66.77 1rgw s SER 44 CO 0.16 -0.22 2.39 0.00 0.98 0.00 0.00 173.24 176.56 1rgw n GLN 45 N 4.06 0.88 0.00 4.02 6.02 -1.26 -4.56 117.38 126.53 1rgw n GLN 45 Ca 0.13 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1rgw n GLN 45 Cb 0.48 -2.67 0.00 0.00 1.02 0.00 0.00 30.24 29.07 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 6.29 -0.18 0.00 1.08 0.00 -1.26 -4.43 105.19 106.69 1rgw n GLY 46 Ca 0.45 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.07 -4.77 116.55 107.67 1rgw n ASP 47 Ca 0.00 -0.32 -0.43 0.00 -1.51 0.00 0.00 54.79 52.53 1rgw n ASP 47 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 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 3.87 -0.02 -2.67 2.01 -1.26 -1.70 118.68 118.90 1rgw s LEU 48 Ca 0.00 0.19 -0.25 0.00 0.01 0.00 0.00 54.13 54.08 1rgw s LEU 48 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 46.19 42.88 1rgw s LEU 48 CO 0.00 -1.15 0.76 -0.69 1.01 0.00 0.00 176.35 176.28 1rgw s VAL 49 N 4.06 4.92 -0.23 -1.59 1.01 -0.01 -0.46 120.40 128.10 1rgw s VAL 49 Ca 0.40 1.60 -0.16 0.00 0.00 0.00 0.00 61.98 63.82 1rgw s VAL 49 Cb -0.09 -4.11 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 1rgw s VAL 49 CO 0.28 0.28 -0.19 0.52 0.00 0.00 0.00 175.10 175.99 1rgw n VAL 50 N 3.47 1.51 -4.20 2.92 0.31 0.14 -4.36 118.33 118.12 1rgw n VAL 50 Ca -0.01 -0.14 -0.18 0.00 -0.01 0.00 0.00 64.34 64.01 1rgw n VAL 50 Cb 0.51 -2.06 -0.12 0.00 -0.91 0.00 0.00 33.84 31.26 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 -2.56 1.11 -0.05 3.52 0.00 -0.53 -0.76 121.76 122.49 1rgw s ALA 51 Ca -0.32 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1rgw s ALA 51 Cb 0.09 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1rgw s ALA 51 CO 0.48 0.16 -0.05 -1.50 0.00 0.00 0.00 175.76 174.85 1rgw s ILE 52 N -1.18 0.62 0.00 0.00 2.07 0.48 -1.62 121.20 121.57 1rgw s ILE 52 Ca -0.02 -0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 1rgw s ILE 52 Cb -0.09 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.86 1rgw s ILE 52 CO 0.02 0.25 0.00 -0.67 -1.91 0.00 0.00 174.94 172.63 1rgw n ASP 53 N 4.16 -2.92 0.00 4.50 2.03 0.34 -0.69 116.55 123.96 1rgw n ASP 53 Ca -0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.09 1rgw n ASP 53 Cb 0.51 -2.07 0.00 0.00 -0.72 0.00 0.00 41.12 38.84 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 -1.09 0.76 3.22 0.27 0.00 -1.24 -4.87 105.19 102.25 1rgw n GLY 54 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 1.91 0.13 1.61 1.01 0.13 -5.02 120.40 118.17 1rgw s VAL 55 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 61.98 60.70 1rgw s VAL 55 Cb 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 1rgw s VAL 55 CO 0.00 0.53 1.48 0.54 0.00 0.00 0.00 175.10 177.66 1rgw s ASN 56 N 0.10 6.71 -1.28 3.32 4.22 -1.26 -0.38 114.94 126.36 1rgw s ASN 56 Ca -0.10 2.46 -0.12 0.00 -2.14 0.00 0.00 52.86 52.96 1rgw s ASN 56 Cb -0.15 -2.59 0.15 0.00 1.28 0.00 0.00 41.25 39.94 1rgw s ASN 56 CO 0.05 -0.75 1.77 0.35 -2.04 0.00 0.00 177.10 176.49 1rgw n THR 57 N 4.03 4.19 0.00 0.54 -2.24 0.06 -4.74 114.28 116.13 1rgw n THR 57 Ca 0.13 -4.32 -0.10 0.00 -2.27 0.00 0.00 64.05 57.49 1rgw n THR 57 Cb 0.41 -2.42 -0.08 0.00 -2.10 0.00 0.00 70.33 66.14 1rgw n THR 57 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1rgw h ASP 58 N 6.34 -0.10 0.00 3.42 5.19 -1.92 -3.40 116.42 125.95 1rgw h ASP 58 Ca 0.40 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1rgw h ASP 58 Cb 0.72 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1rgw h ASP 58 CO 1.53 0.55 -0.98 1.07 -3.12 0.00 0.00 179.24 178.29 1rgw n THR 59 N -4.82 0.00 -1.76 0.35 5.66 -1.26 -4.99 114.28 107.46 1rgw n THR 59 Ca -0.07 -0.20 -0.42 0.00 -3.05 0.00 0.00 64.05 60.31 1rgw n THR 59 Cb 0.27 0.77 -0.03 0.00 -1.55 0.00 0.00 70.33 69.79 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 -2.60 4.14 0.34 1.09 -1.94 -1.26 -4.88 119.30 114.19 1rgw s MET 60 Ca 0.03 2.57 0.04 0.00 -1.71 0.00 0.00 55.69 56.62 1rgw s MET 60 Cb 0.11 -3.08 0.04 0.00 2.01 0.00 0.00 34.83 33.91 1rgw s MET 60 CO 0.63 -0.72 0.36 0.25 -0.01 0.00 0.00 175.02 175.52 1rgw n THR 61 N 3.83 0.00 0.19 2.05 -2.24 -1.26 -4.47 114.28 112.38 1rgw n THR 61 Ca 0.15 -1.24 0.09 0.00 -2.27 0.00 0.00 64.05 60.78 1rgw n THR 61 Cb 0.36 -0.45 0.45 0.00 -2.10 0.00 0.00 70.33 68.59 1rgw n THR 61 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1rgw n HIS 62 N -1.50 0.58 -0.11 4.78 -0.00 -1.26 -0.90 115.22 116.81 1rgw n HIS 62 Ca 0.04 0.28 -0.22 0.00 0.46 0.00 0.00 57.72 58.29 1rgw n HIS 62 Cb 0.37 -0.95 -0.11 0.00 -0.12 0.00 0.00 29.99 29.18 1rgw n HIS 62 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1rgw n LEU 63 N -2.08 1.87 -0.12 0.27 7.94 -1.26 -4.32 117.00 119.29 1rgw n LEU 63 Ca -0.00 0.42 -0.10 0.00 -1.11 0.00 0.00 56.01 55.23 1rgw n LEU 63 Cb 0.07 -0.95 -0.01 0.00 0.53 0.00 0.00 43.42 43.06 1rgw n LEU 63 CO 0.10 0.27 0.89 -0.08 -1.11 0.00 0.00 177.39 177.45 1rgw h GLU 64 N -1.00 0.56 -0.63 1.96 4.81 -1.82 -1.16 114.58 117.31 1rgw h GLU 64 Ca -0.37 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 1rgw h GLU 64 Cb 1.30 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1rgw h GLU 64 CO -0.22 0.57 0.21 0.00 -0.73 0.00 0.00 179.01 178.84 1rgw h ALA 65 N 0.97 1.19 -0.58 2.92 0.00 -1.29 0.46 119.26 122.93 1rgw h ALA 65 Ca 0.12 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1rgw h ALA 65 Cb 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1rgw h ALA 65 CO -0.01 0.57 0.38 1.96 0.00 0.00 0.00 179.25 182.15 1rgw h GLN 66 N 0.91 0.74 -0.23 0.00 7.50 -1.71 0.00 115.11 122.33 1rgw h GLN 66 Ca 0.21 -0.04 -0.06 0.00 0.50 0.00 0.00 58.65 59.26 1rgw h GLN 66 Cb 0.24 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 1rgw h GLN 66 CO -0.01 0.49 -0.11 -0.91 -1.50 0.00 0.00 178.83 176.79 1rgw h ASN 67 N 0.76 0.35 0.44 1.46 2.35 -0.45 0.69 115.58 121.18 1rgw h ASN 67 Ca 0.22 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1rgw h ASN 67 Cb -0.06 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1rgw h ASN 67 CO -0.06 0.49 -0.21 0.11 -1.65 0.00 0.00 177.43 176.11 1rgw h LYS 68 N 0.35 -0.57 -0.94 0.81 1.79 -0.48 -2.76 116.57 114.77 1rgw h LYS 68 Ca 0.07 0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.72 1rgw h LYS 68 Cb 0.41 0.13 -0.15 0.00 -1.58 0.00 0.00 32.23 31.03 1rgw h LYS 68 CO 0.02 -0.26 -0.40 0.82 -1.08 0.00 0.00 179.45 178.55 1rgw h ILE 69 N -0.97 0.02 0.00 1.86 2.04 -0.96 -1.96 117.51 117.54 1rgw h ILE 69 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1rgw h ILE 69 Cb 0.57 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1rgw h ILE 69 CO 0.10 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.54 1rgw n LYS 70 N -5.45 0.97 -0.04 2.37 4.01 0.23 -2.62 118.16 117.62 1rgw n LYS 70 Ca 0.09 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.93 1rgw n LYS 70 Cb 0.39 -1.30 0.06 0.00 -0.51 0.00 0.00 35.03 33.67 1rgw n LYS 70 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1rgw n SER 71 N -0.80 2.03 -4.99 4.39 3.41 -0.75 -4.99 113.62 111.92 1rgw n SER 71 Ca 0.14 -1.55 -0.18 0.00 -0.26 0.00 0.00 58.87 57.02 1rgw n SER 71 Cb 0.06 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1rgw n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rgw s ALA 72 N -0.82 4.41 0.00 7.33 0.00 -1.08 -5.00 121.76 126.59 1rgw s ALA 72 Ca 0.13 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1rgw s ALA 72 Cb 0.08 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1rgw s ALA 72 CO 0.12 -0.20 0.00 -1.13 0.00 0.00 0.00 175.76 174.55 1rgw n SER 73 N -1.76 -0.00 -0.17 0.00 3.41 -1.26 -4.84 113.62 109.00 1rgw n SER 73 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.56 1rgw n SER 73 Cb 0.59 0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1rgw n SER 73 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1rgw h TYR 74 N 0.00 1.02 -2.75 7.33 0.05 -1.88 -0.10 116.97 120.64 1rgw h TYR 74 Ca 0.00 -0.21 -0.16 0.00 0.05 0.00 0.00 58.73 58.41 1rgw h TYR 74 Cb 0.00 -0.25 -0.29 0.00 1.01 0.00 0.00 36.73 37.20 1rgw h TYR 74 CO 0.00 0.98 -0.42 0.54 -1.05 0.00 0.00 178.16 178.21 1rgw s ASN 75 N -6.51 -0.14 -0.37 3.88 4.22 -1.26 -4.56 114.94 110.20 1rgw s ASN 75 Ca -0.12 0.75 -0.05 0.00 -2.14 0.00 0.00 52.86 51.30 1rgw s ASN 75 Cb 0.12 0.82 0.07 0.00 1.28 0.00 0.00 41.25 43.54 1rgw s ASN 75 CO 0.84 -0.21 0.15 -0.22 -2.04 0.00 0.00 177.10 175.62 1rgw s LEU 76 N 1.99 4.72 -0.32 3.54 2.96 0.64 -4.84 118.68 127.37 1rgw s LEU 76 Ca -0.04 -1.52 -0.11 0.00 -0.22 0.00 0.00 54.13 52.24 1rgw s LEU 76 Cb -0.11 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1rgw s LEU 76 CO -0.11 -0.43 0.19 -0.55 -1.32 0.00 0.00 176.35 174.13 1rgw s SER 77 N 1.69 5.82 -0.05 3.68 0.15 -1.26 -0.06 113.70 123.67 1rgw s SER 77 Ca 0.02 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.31 1rgw s SER 77 Cb -0.21 -2.07 -0.02 0.00 -1.71 0.00 0.00 66.02 62.00 1rgw s SER 77 CO -0.00 -0.19 -0.17 -0.76 1.20 0.00 0.00 173.24 173.32 1rgw s LEU 78 N 1.68 2.55 -0.15 3.45 2.01 -0.82 -0.51 118.68 126.90 1rgw s LEU 78 Ca 0.06 -0.28 -0.00 0.00 0.01 0.00 0.00 54.13 53.92 1rgw s LEU 78 Cb -0.17 -1.50 0.03 0.00 0.01 0.00 0.00 46.19 44.56 1rgw s LEU 78 CO 0.09 0.32 -0.09 -0.89 1.01 0.00 0.00 176.35 176.79 1rgw s THR 79 N -0.60 1.25 0.11 5.49 2.01 -0.64 -1.80 115.64 121.46 1rgw s THR 79 Ca 0.09 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1rgw s THR 79 Cb -0.11 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1rgw s THR 79 CO 0.01 0.30 -0.09 -1.48 -0.69 0.00 0.00 174.62 172.67 1rgw s LEU 80 N 1.60 2.48 0.41 4.42 2.34 -0.96 0.26 118.68 129.22 1rgw s LEU 80 Ca 0.03 -0.93 -0.17 0.00 0.06 0.00 0.00 54.13 53.12 1rgw s LEU 80 Cb -0.14 -0.23 -0.09 0.00 -0.56 0.00 0.00 46.19 45.17 1rgw s LEU 80 CO -0.09 -0.35 0.87 -1.10 -1.06 0.00 0.00 176.35 174.62 1rgw s GLN 81 N -3.41 4.06 -0.01 1.48 -1.52 0.39 -1.37 119.66 119.28 1rgw s GLN 81 Ca 0.11 0.88 0.19 0.00 -1.95 0.00 0.00 55.36 54.59 1rgw s GLN 81 Cb 0.01 -2.27 -0.24 0.00 -0.22 0.00 0.00 33.01 30.29 1rgw s GLN 81 CO -0.01 -0.02 0.71 1.17 -0.25 0.00 0.00 175.29 176.89 1rgw n LYS 82 N -0.80 0.60 -0.52 2.91 3.00 0.22 -4.26 118.16 119.31 1rgw n LYS 82 Ca 0.05 -0.06 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 1rgw n LYS 82 Cb 0.54 -1.43 -0.01 0.00 0.00 0.00 0.00 35.03 34.13 1rgw n LYS 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1rgw n SER 83 N -1.68 -2.80 -4.46 3.14 7.64 -1.01 -4.82 113.62 109.63 1rgw n SER 83 Ca 0.01 0.60 -0.43 0.00 1.01 0.00 0.00 58.87 60.07 1rgw n SER 83 Cb 0.37 -1.18 -0.04 0.00 -1.01 0.00 0.00 64.21 62.35 1rgw n SER 83 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1rgw s LYS 84 N -4.25 3.18 0.00 1.43 1.02 -1.26 -4.99 119.74 114.87 1rgw s LYS 84 Ca 0.00 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.05 1rgw s LYS 84 Cb 0.00 -4.34 0.00 0.00 -0.52 0.00 0.00 37.83 32.97 1rgw s LYS 84 CO 0.00 -1.83 0.02 0.54 -0.92 0.00 0.00 175.35 173.16