#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 3.76 0.09 -5.12 0.00 -1.26 -2.06 121.76 117.17 1rgw s ALA 2 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 51.96 51.31 1rgw s ALA 2 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1rgw s ALA 2 CO 0.00 -0.13 0.16 1.52 0.00 0.00 0.00 175.76 177.31 1rgw s TYR 3 N -2.99 0.27 0.03 0.00 1.13 -0.36 -4.78 117.35 110.65 1rgw s TYR 3 Ca 0.10 -0.71 0.03 0.00 -1.41 0.00 0.00 57.07 55.08 1rgw s TYR 3 Cb 0.01 -0.13 -0.02 0.00 -1.10 0.00 0.00 41.96 40.72 1rgw s TYR 3 CO 0.06 -0.53 -0.08 -1.54 -2.51 0.00 0.00 175.55 170.95 1rgw s SER 4 N -2.89 0.97 -0.03 -0.18 1.04 -1.26 -2.25 113.70 109.10 1rgw s SER 4 Ca 0.07 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 56.05 1rgw s SER 4 Cb 0.05 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.16 1rgw s SER 4 CO -0.09 -0.08 0.12 0.54 0.98 0.00 0.00 173.24 174.70 1rgw s VAL 5 N -0.94 0.03 0.01 5.02 0.11 -0.93 -4.99 120.40 118.71 1rgw s VAL 5 Ca -0.04 -0.22 0.05 0.00 -2.93 0.00 0.00 61.98 58.83 1rgw s VAL 5 Cb -0.07 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1rgw s VAL 5 CO 0.00 -0.12 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.64 1rgw s THR 6 N -0.37 3.23 0.12 5.04 2.01 -1.26 -1.27 115.64 123.13 1rgw s THR 6 Ca -0.04 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.07 1rgw s THR 6 Cb -0.03 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1rgw s THR 6 CO 0.00 0.41 -0.08 -1.48 -0.69 0.00 0.00 174.62 172.78 1rgw s LEU 7 N -1.31 2.52 0.17 4.42 0.05 -0.78 -4.95 118.68 118.79 1rgw s LEU 7 Ca 0.15 -1.00 0.09 0.00 0.05 0.00 0.00 54.13 53.42 1rgw s LEU 7 Cb -0.11 -0.18 -0.04 0.00 -2.05 0.00 0.00 46.19 43.81 1rgw s LEU 7 CO 0.05 -0.41 -0.20 0.28 -0.55 0.00 0.00 176.35 175.52 1rgw s THR 8 N -3.48 1.97 0.00 5.48 -1.32 -1.26 -0.62 115.64 116.40 1rgw s THR 8 Ca 0.13 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 58.68 1rgw s THR 8 Cb 0.04 -1.91 0.00 0.00 -1.51 0.00 0.00 72.50 69.12 1rgw s THR 8 CO -0.03 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.75 1rgw n GLY 9 N 0.33 3.46 0.26 6.08 0.00 0.13 -4.96 105.19 110.49 1rgw n GLY 9 Ca -0.13 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.71 1rgw n GLY 9 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rgw h PRO 10 N 0.00 0.00 0.00 1.61 0.11 -1.97 -3.42 132.00 128.33 1rgw h PRO 10 Ca 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 1rgw h PRO 10 Cb 0.00 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.15 1rgw h PRO 10 CO 0.00 0.11 0.06 0.41 -0.21 0.00 0.00 178.00 178.36 1rgw n GLY 11 N -0.12 0.74 3.87 -0.55 0.00 -1.26 -5.06 105.19 102.81 1rgw n GLY 11 Ca -0.00 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.73 0.81 -0.14 1.61 0.04 -1.26 -5.04 135.00 127.29 1rgw s PRO 12 Ca 0.33 -0.16 -0.13 0.00 0.04 0.00 0.00 61.00 61.08 1rgw s PRO 12 Cb -0.02 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1rgw s PRO 12 CO 0.22 -2.34 -0.25 0.91 0.04 0.00 0.00 177.00 175.58 1rgw n TRP 13 N -3.77 0.16 0.00 0.56 7.02 -1.26 -4.66 117.44 115.49 1rgw n TRP 13 Ca 0.12 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 1rgw n TRP 13 Cb 0.60 -0.45 0.00 0.00 -2.42 0.00 0.00 31.31 29.04 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 1.51 0.84 3.59 6.99 0.00 -1.26 -0.90 105.19 115.96 1rgw n GLY 14 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.84 2.53 -0.08 1.61 -0.71 -1.26 -0.16 117.98 119.07 1rgw s PHE 15 Ca 0.00 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.57 1rgw s PHE 15 Cb 0.00 -1.24 -0.03 0.00 -1.21 0.00 0.00 43.02 40.54 1rgw s PHE 15 CO 0.00 0.60 -0.06 1.03 -1.34 0.00 0.00 175.22 175.44 1rgw s ARG 16 N -3.65 2.83 -0.18 1.99 1.81 0.10 -4.84 118.95 117.02 1rgw s ARG 16 Ca 0.32 -0.54 0.00 0.00 -1.72 0.00 0.00 55.73 53.79 1rgw s ARG 16 Cb -0.04 -2.62 0.01 0.00 -0.45 0.00 0.00 34.95 31.85 1rgw s ARG 16 CO 0.18 0.63 -0.17 -0.51 -0.68 0.00 0.00 175.30 174.75 1rgw s LEU 17 N -0.71 2.29 -0.05 2.53 1.02 -1.26 -1.48 118.68 121.03 1rgw s LEU 17 Ca 0.11 -0.59 -0.02 0.00 0.02 0.00 0.00 54.13 53.65 1rgw s LEU 17 Cb -0.11 -1.53 0.03 0.00 0.02 0.00 0.00 46.19 44.60 1rgw s LEU 17 CO 0.02 0.01 0.08 -1.10 0.02 0.00 0.00 176.35 175.38 1rgw s GLN 18 N 1.24 -0.03 0.00 1.70 -0.21 -1.20 -4.86 119.66 116.30 1rgw s GLN 18 Ca 0.03 0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.78 1rgw s GLN 18 Cb -0.14 -0.36 0.00 0.00 1.00 0.00 0.00 33.01 33.51 1rgw s GLN 18 CO -0.09 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.22 1rgw n GLY 19 N 4.89 -0.65 0.00 3.09 0.00 -1.26 -4.33 105.19 106.93 1rgw n GLY 19 Ca -0.13 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 3.68 0.28 -0.02 0.00 -1.00 -4.59 105.19 103.54 1rgw n GLY 20 Ca 0.00 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.33 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 0.28 0.00 1.61 1.63 -1.70 -1.39 116.57 117.00 1rgw h LYS 21 Ca 0.00 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1rgw h LYS 21 Cb 0.00 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1rgw h LYS 21 CO 0.00 0.20 -0.08 0.22 -3.45 0.00 0.00 179.45 176.33 1rgw h ASP 22 N 0.29 0.00 0.06 4.20 3.58 -1.88 0.03 116.42 122.69 1rgw h ASP 22 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1rgw h ASP 22 Cb -0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1rgw h ASP 22 CO -0.02 0.08 -0.07 0.49 -2.88 0.00 0.00 179.24 176.85 1rgw n PHE 23 N -3.81 0.00 -3.26 0.28 3.72 -0.57 -4.92 117.46 108.89 1rgw n PHE 23 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 1rgw n PHE 23 Cb 0.18 -0.03 0.06 0.00 -0.94 0.00 0.00 39.48 38.75 1rgw n PHE 23 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1rgw n ASN 24 N -0.05 -4.60 -4.61 4.37 4.05 -0.00 -5.00 115.26 109.41 1rgw n ASN 24 Ca 0.17 -0.41 -0.26 0.00 0.45 0.00 0.00 54.58 54.53 1rgw n ASN 24 Cb 0.35 -3.89 -0.10 0.00 1.23 0.00 0.00 39.78 37.38 1rgw n ASN 24 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1rgw s MET 25 N -5.78 1.97 0.88 1.20 1.75 -0.90 -5.00 119.30 113.42 1rgw s MET 25 Ca 0.35 -1.95 -0.11 0.00 -1.25 0.00 0.00 55.69 52.73 1rgw s MET 25 Cb -0.15 -1.76 0.12 0.00 2.84 0.00 0.00 34.83 35.88 1rgw s MET 25 CO 0.54 0.04 1.10 -1.25 -0.65 0.00 0.00 175.02 174.80 1rgw s PRO 26 N -3.70 1.32 -0.58 4.11 0.04 -1.26 -3.29 135.00 131.63 1rgw s PRO 26 Ca 0.35 1.16 -0.26 0.00 0.04 0.00 0.00 61.00 62.28 1rgw s PRO 26 Cb 0.05 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 1rgw s PRO 26 CO 0.18 -2.29 1.98 -1.17 0.04 0.00 0.00 177.00 175.74 1rgw s LEU 27 N -6.33 3.32 -0.12 -3.56 0.20 -1.26 -2.38 118.68 108.54 1rgw s LEU 27 Ca 0.64 0.50 0.01 0.00 0.69 0.00 0.00 54.13 55.97 1rgw s LEU 27 Cb -0.20 -2.54 -0.01 0.00 -0.43 0.00 0.00 46.19 43.02 1rgw s LEU 27 CO 0.58 -2.48 -0.15 0.42 -0.29 0.00 0.00 176.35 174.43 1rgw s THR 28 N 9.72 2.89 0.16 3.68 -4.23 -1.26 -1.85 115.64 124.75 1rgw s THR 28 Ca 0.74 -0.72 -0.08 0.00 -1.18 0.00 0.00 61.69 60.45 1rgw s THR 28 Cb -0.14 -2.20 -0.06 0.00 1.34 0.00 0.00 72.50 71.44 1rgw s THR 28 CO 0.22 0.53 0.44 -0.63 -0.54 0.00 0.00 174.62 174.64 1rgw s ILE 29 N 0.33 5.07 0.00 2.99 -1.09 -1.19 -3.22 121.20 124.09 1rgw s ILE 29 Ca -0.12 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.57 1rgw s ILE 29 Cb -0.16 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 1rgw s ILE 29 CO 0.06 0.06 0.00 -1.54 -1.23 0.00 0.00 174.94 172.29 1rgw n SER 30 N 0.19 0.00 -4.07 3.58 3.41 -0.55 -3.67 113.62 112.51 1rgw n SER 30 Ca -0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.39 1rgw n SER 30 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 1rgw n SER 30 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1rgw s ARG 31 N 0.00 1.64 0.20 4.33 1.81 -1.24 -4.51 118.95 121.18 1rgw s ARG 31 Ca 0.00 -1.94 -0.03 0.00 -1.72 0.00 0.00 55.73 52.04 1rgw s ARG 31 Cb 0.00 -0.25 -0.05 0.00 -0.45 0.00 0.00 34.95 34.20 1rgw s ARG 31 CO 0.00 -0.42 0.42 0.42 -0.68 0.00 0.00 175.30 175.04 1rgw s ILE 32 N -3.53 5.15 0.07 1.52 1.09 -1.26 0.00 121.20 124.23 1rgw s ILE 32 Ca 0.34 -0.11 -0.28 0.00 -1.10 0.00 0.00 60.65 59.51 1rgw s ILE 32 Cb 0.05 -3.69 -0.05 0.00 -1.06 0.00 0.00 42.46 37.71 1rgw s ILE 32 CO 0.17 -0.12 0.87 -0.89 -0.10 0.00 0.00 174.94 174.87 1rgw s THR 33 N -1.83 4.65 0.30 2.92 2.01 0.77 -4.83 115.64 119.62 1rgw s THR 33 Ca 0.41 1.87 -0.29 0.00 0.31 0.00 0.00 61.69 63.98 1rgw s THR 33 Cb -0.11 -4.23 -0.10 0.00 0.01 0.00 0.00 72.50 68.07 1rgw s THR 33 CO 0.27 0.32 1.38 -2.16 -0.69 0.00 0.00 174.62 173.74 1rgw s PRO 34 N 0.09 4.30 0.00 4.92 0.04 -1.26 -3.33 135.00 139.75 1rgw s PRO 34 Ca 0.44 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1rgw s PRO 34 Cb -0.22 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1rgw s PRO 34 CO 0.26 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1rgw n GLY 35 N 1.41 1.85 4.01 0.56 0.00 -1.26 -5.05 105.19 106.71 1rgw n GLY 35 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1rgw n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rgw s SER 36 N -1.82 5.54 0.40 1.61 0.01 -1.21 -4.99 113.70 113.24 1rgw s SER 36 Ca 0.00 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 56.89 1rgw s SER 36 Cb 0.00 -0.55 0.81 0.00 0.21 0.00 0.00 66.02 66.50 1rgw s SER 36 CO 0.00 -0.88 2.02 0.50 0.41 0.00 0.00 173.24 175.29 1rgw h LYS 37 N 0.52 0.51 -0.96 12.44 3.64 -1.79 -1.00 116.57 129.93 1rgw h LYS 37 Ca -0.39 -0.05 0.28 0.00 -1.27 0.00 0.00 60.65 59.22 1rgw h LYS 37 Cb 1.28 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1rgw h LYS 37 CO 0.45 0.39 0.74 0.00 -2.27 0.00 0.00 179.45 178.76 1rgw h ALA 38 N 1.70 2.86 0.13 5.00 0.00 -1.29 -1.97 119.26 125.69 1rgw h ALA 38 Ca 0.13 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.71 1rgw h ALA 38 Cb 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rgw h ALA 38 CO -0.02 -1.24 -1.55 0.00 0.00 0.00 0.00 179.25 176.44 1rgw h ALA 39 N 1.41 0.20 -0.13 0.00 0.00 -1.41 -3.40 119.26 115.93 1rgw h ALA 39 Ca 0.45 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1rgw h ALA 39 Cb 1.94 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 1rgw h ALA 39 CO -0.00 0.92 0.07 1.96 0.00 0.00 0.00 179.25 182.20 1rgw h GLN 40 N -0.18 0.14 0.00 0.00 1.08 -1.25 -3.47 115.11 111.44 1rgw h GLN 40 Ca -0.33 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 1rgw h GLN 40 Cb 1.86 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.26 1rgw h GLN 40 CO 0.09 0.10 0.00 -1.13 -0.95 0.00 0.00 178.83 176.93 1rgw n SER 41 N -5.02 0.00 0.05 1.46 3.41 -1.14 -4.92 113.62 107.45 1rgw n SER 41 Ca -0.05 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.68 1rgw n SER 41 Cb 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.45 -1.88 4.33 6.02 -1.26 -5.00 117.38 120.03 1rgw n GLN 42 Ca 0.00 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 1rgw n GLN 42 Cb 0.00 -1.66 -0.00 0.00 1.02 0.00 0.00 30.24 29.60 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 -4.50 4.29 -0.41 1.08 2.96 -1.26 -4.99 118.68 115.85 1rgw s LEU 43 Ca 0.01 2.92 0.09 0.00 -0.22 0.00 0.00 54.13 56.93 1rgw s LEU 43 Cb 0.13 -3.73 0.34 0.00 0.50 0.00 0.00 46.19 43.43 1rgw s LEU 43 CO 0.81 -0.86 0.98 -1.20 -1.32 0.00 0.00 176.35 174.76 1rgw n SER 44 N 0.38 -0.91 -4.58 3.68 7.64 -1.26 -4.73 113.62 113.84 1rgw n SER 44 Ca 0.02 -3.30 -0.54 0.00 1.01 0.00 0.00 58.87 56.07 1rgw n SER 44 Cb 0.41 0.77 -0.07 0.00 -1.01 0.00 0.00 64.21 64.31 1rgw n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rgw n GLN 45 N 0.23 1.22 0.00 1.43 6.02 -1.26 -4.70 117.38 120.32 1rgw n GLN 45 Ca 0.13 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1rgw n GLN 45 Cb 0.70 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.66 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 5.34 -0.95 0.00 1.08 0.00 -1.26 -4.38 105.19 105.03 1rgw n GLY 46 Ca 0.33 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -4.50 1.61 2.03 -1.24 -4.84 116.55 109.60 1rgw n ASP 47 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1rgw n ASP 47 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 3.75 0.05 -2.67 2.01 -1.26 -3.19 118.68 117.36 1rgw s LEU 48 Ca 0.00 -0.71 -0.30 0.00 0.01 0.00 0.00 54.13 53.13 1rgw s LEU 48 Cb 0.00 -2.49 -0.05 0.00 0.01 0.00 0.00 46.19 43.66 1rgw s LEU 48 CO 0.00 -1.65 1.14 -0.69 1.01 0.00 0.00 176.35 176.16 1rgw s VAL 49 N 4.94 4.25 -0.28 -1.59 1.01 -0.77 -1.16 120.40 126.80 1rgw s VAL 49 Ca 0.29 1.62 -0.14 0.00 0.00 0.00 0.00 61.98 63.75 1rgw s VAL 49 Cb -0.12 -4.04 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 1rgw s VAL 49 CO 0.13 0.13 -0.33 0.52 0.00 0.00 0.00 175.10 175.55 1rgw n VAL 50 N 3.91 1.53 -4.27 2.92 0.31 0.17 -4.67 118.33 118.22 1rgw n VAL 50 Ca 0.08 -0.38 -0.17 0.00 -0.01 0.00 0.00 64.34 63.86 1rgw n VAL 50 Cb 0.48 -1.87 -0.15 0.00 -0.91 0.00 0.00 33.84 31.39 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 -2.50 0.61 -0.26 3.52 0.00 -0.45 -1.18 121.76 121.49 1rgw s ALA 51 Ca -0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 1rgw s ALA 51 Cb 0.14 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.15 1rgw s ALA 51 CO 0.50 0.15 -0.06 -1.50 0.00 0.00 0.00 175.76 174.84 1rgw s ILE 52 N -0.17 2.67 -1.25 0.00 2.07 0.12 -1.07 121.20 123.58 1rgw s ILE 52 Ca 0.03 -1.30 0.00 0.00 -1.41 0.00 0.00 60.65 57.97 1rgw s ILE 52 Cb -0.03 -2.46 0.00 0.00 0.13 0.00 0.00 42.46 40.10 1rgw s ILE 52 CO -0.00 0.06 0.00 -0.67 -1.91 0.00 0.00 174.94 172.42 1rgw n ASP 53 N 4.59 -3.82 0.00 4.50 2.03 0.29 -1.00 116.55 123.13 1rgw n ASP 53 Ca -0.15 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1rgw n ASP 53 Cb 0.45 -3.37 0.00 0.00 -0.72 0.00 0.00 41.12 37.47 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 -0.57 0.99 3.60 0.27 0.00 -1.25 -4.84 105.19 103.38 1rgw n GLY 54 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.14 4.46 0.37 1.61 1.01 -0.17 -4.99 120.40 120.54 1rgw s VAL 55 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 1rgw s VAL 55 Cb 0.00 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 1rgw s VAL 55 CO 0.00 0.49 1.13 0.54 0.00 0.00 0.00 175.10 177.25 1rgw s ASN 56 N 0.25 6.76 0.00 3.32 4.22 -1.26 0.15 114.94 128.38 1rgw s ASN 56 Ca 0.01 2.26 0.15 0.00 -2.14 0.00 0.00 52.86 53.14 1rgw s ASN 56 Cb -0.13 -2.61 0.43 0.00 1.28 0.00 0.00 41.25 40.22 1rgw s ASN 56 CO 0.01 -0.50 1.35 0.35 -2.04 0.00 0.00 177.10 176.27 1rgw n THR 57 N 0.32 0.57 -0.25 0.54 -2.24 -0.32 -4.64 114.28 108.25 1rgw n THR 57 Ca 0.03 -0.59 0.03 0.00 -2.27 0.00 0.00 64.05 61.25 1rgw n THR 57 Cb 0.47 0.33 0.12 0.00 -2.10 0.00 0.00 70.33 69.15 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 2.68 -0.50 -0.10 3.42 3.58 -1.91 -2.12 116.42 121.46 1rgw h ASP 58 Ca 0.00 0.20 -0.10 0.00 0.42 0.00 0.00 57.03 57.55 1rgw h ASP 58 Cb 0.61 0.39 -0.13 0.00 1.72 0.00 0.00 39.33 41.92 1rgw h ASP 58 CO 0.00 -0.21 -0.65 1.07 -2.88 0.00 0.00 179.24 176.57 1rgw n THR 59 N -5.41 1.83 -3.34 2.25 5.66 -1.26 -5.01 114.28 109.00 1rgw n THR 59 Ca 0.12 -2.96 -0.39 0.00 -3.05 0.00 0.00 64.05 57.77 1rgw n THR 59 Cb 0.42 -0.08 -0.08 0.00 -1.55 0.00 0.00 70.33 69.04 1rgw n THR 59 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1rgw s MET 60 N -2.73 4.12 0.77 1.09 0.00 -0.80 -5.06 119.30 116.69 1rgw s MET 60 Ca 0.39 0.22 -0.05 0.00 0.00 0.00 0.00 55.69 56.24 1rgw s MET 60 Cb 0.38 -3.59 0.16 0.00 0.00 0.00 0.00 34.83 31.78 1rgw s MET 60 CO -0.07 -0.16 1.05 0.25 0.00 0.00 0.00 175.02 176.08 1rgw n THR 61 N 4.68 0.00 -0.06 10.11 -2.24 -1.26 -4.12 114.28 121.38 1rgw n THR 61 Ca -0.07 -1.33 -0.08 0.00 -2.27 0.00 0.00 64.05 60.30 1rgw n THR 61 Cb 0.51 -1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 67.62 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 -0.94 0.06 -0.10 4.78 2.76 -1.88 0.11 115.15 119.93 1rgw h HIS 62 Ca -0.34 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 57.85 1rgw h HIS 62 Cb 1.15 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.12 1rgw h HIS 62 CO 0.00 0.01 0.04 1.25 -1.30 0.00 0.00 177.93 177.93 1rgw h LEU 63 N 0.13 0.06 -0.33 0.26 5.85 -1.94 -2.19 115.31 117.15 1rgw h LEU 63 Ca 0.12 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1rgw h LEU 63 Cb 0.13 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1rgw h LEU 63 CO -0.17 0.05 0.19 -0.08 -0.34 0.00 0.00 178.44 178.10 1rgw h GLU 64 N 0.10 0.46 -0.08 1.25 4.81 -1.87 -1.62 114.58 117.63 1rgw h GLU 64 Ca 0.04 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1rgw h GLU 64 Cb 0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1rgw h GLU 64 CO -0.03 0.36 -0.32 0.00 -0.73 0.00 0.00 179.01 178.29 1rgw h ALA 65 N 1.07 1.33 -0.04 2.92 0.00 -0.80 0.24 119.26 123.98 1rgw h ALA 65 Ca 0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rgw h ALA 65 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rgw h ALA 65 CO -0.02 0.47 0.02 0.37 0.00 0.00 0.00 179.25 180.09 1rgw h GLN 66 N 0.13 0.06 -0.79 0.00 5.75 -1.25 -2.56 115.11 116.44 1rgw h GLN 66 Ca 0.02 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1rgw h GLN 66 Cb 0.63 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 1rgw h GLN 66 CO 0.05 0.11 0.36 -0.91 -2.65 0.00 0.00 178.83 175.78 1rgw h ASN 67 N -0.01 1.06 0.35 -0.69 2.35 -0.68 -2.02 115.58 115.95 1rgw h ASN 67 Ca 0.01 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1rgw h ASN 67 Cb 0.07 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1rgw h ASN 67 CO -0.00 0.92 -0.17 0.11 -1.65 0.00 0.00 177.43 176.64 1rgw h LYS 68 N 1.14 -0.46 -0.69 0.81 1.79 -0.55 -2.53 116.57 116.08 1rgw h LYS 68 Ca 0.27 0.03 0.15 0.00 -2.18 0.00 0.00 60.65 58.92 1rgw h LYS 68 Cb 0.16 0.10 -0.12 0.00 -1.58 0.00 0.00 32.23 30.79 1rgw h LYS 68 CO -0.03 -0.28 0.02 0.82 -1.08 0.00 0.00 179.45 178.90 1rgw h ILE 69 N -0.52 0.42 0.00 1.86 2.04 -1.45 -2.00 117.51 117.86 1rgw h ILE 69 Ca -0.05 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1rgw h ILE 69 Cb 0.39 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1rgw h ILE 69 CO 0.08 0.02 0.00 0.29 0.00 0.00 0.00 178.15 178.54 1rgw n LYS 70 N -5.30 0.59 -0.03 2.37 4.01 -0.76 -2.52 118.16 116.53 1rgw n LYS 70 Ca 0.12 0.02 0.11 0.00 -0.51 0.00 0.00 58.31 58.05 1rgw n LYS 70 Cb 0.42 -1.50 0.11 0.00 -0.51 0.00 0.00 35.03 33.55 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 -1.07 2.96 -4.68 4.39 7.64 -0.75 -4.93 113.62 117.18 1rgw n SER 71 Ca 0.15 -1.95 -0.30 0.00 1.01 0.00 0.00 58.87 57.78 1rgw n SER 71 Cb 0.10 -0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.83 3.26 0.00 -0.43 0.00 -1.05 -5.01 121.76 116.72 1rgw s ALA 72 Ca 0.28 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1rgw s ALA 72 Cb 0.19 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1rgw s ALA 72 CO 0.29 0.69 0.00 0.43 0.00 0.00 0.00 175.76 177.17 1rgw n SER 73 N 0.71 0.00 0.16 0.00 7.64 -1.26 -4.93 113.62 115.95 1rgw n SER 73 Ca -0.11 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.80 1rgw n SER 73 Cb 0.52 0.17 0.23 0.00 -1.01 0.00 0.00 64.21 64.12 1rgw n SER 73 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1rgw h TYR 74 N 0.00 0.00 -2.66 1.43 0.05 -1.89 0.41 116.97 114.31 1rgw h TYR 74 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 1rgw h TYR 74 Cb 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 37.51 1rgw h TYR 74 CO 0.00 0.48 -0.17 0.54 -1.05 0.00 0.00 178.16 177.95 1rgw s ASN 75 N -6.53 -0.44 -0.26 3.88 4.22 -1.26 -4.62 114.94 109.94 1rgw s ASN 75 Ca 0.00 0.75 0.01 0.00 -2.14 0.00 0.00 52.86 51.49 1rgw s ASN 75 Cb 0.11 0.79 0.07 0.00 1.28 0.00 0.00 41.25 43.50 1rgw s ASN 75 CO 0.72 -0.24 -0.01 -0.22 -2.04 0.00 0.00 177.10 175.30 1rgw s LEU 76 N -0.15 2.83 -0.37 3.54 2.96 0.20 -4.79 118.68 122.91 1rgw s LEU 76 Ca -0.03 -1.40 -0.09 0.00 -0.22 0.00 0.00 54.13 52.39 1rgw s LEU 76 Cb -0.03 -1.19 0.05 0.00 0.50 0.00 0.00 46.19 45.52 1rgw s LEU 76 CO 0.02 -0.29 0.18 -0.55 -1.32 0.00 0.00 176.35 174.40 1rgw s SER 77 N 1.36 5.56 -0.16 3.68 0.15 -1.26 -1.87 113.70 121.16 1rgw s SER 77 Ca -0.01 -1.20 -0.06 0.00 0.70 0.00 0.00 55.95 55.39 1rgw s SER 77 Cb -0.19 -1.96 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 1rgw s SER 77 CO -0.10 -0.41 0.05 -0.76 1.20 0.00 0.00 173.24 173.22 1rgw s LEU 78 N 1.46 3.76 -0.28 3.45 2.01 -0.40 -0.55 118.68 128.13 1rgw s LEU 78 Ca 0.01 0.10 0.01 0.00 0.01 0.00 0.00 54.13 54.26 1rgw s LEU 78 Cb -0.20 -1.93 0.06 0.00 0.01 0.00 0.00 46.19 44.13 1rgw s LEU 78 CO 0.04 0.22 -0.05 -0.89 1.01 0.00 0.00 176.35 176.68 1rgw s THR 79 N 0.07 2.49 0.24 5.49 2.01 -0.23 -2.19 115.64 123.51 1rgw s THR 79 Ca 0.05 -1.61 0.01 0.00 0.31 0.00 0.00 61.69 60.45 1rgw s THR 79 Cb -0.12 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 1rgw s THR 79 CO 0.01 -0.11 0.08 -1.48 -0.69 0.00 0.00 174.62 172.43 1rgw s LEU 80 N 1.14 1.68 0.72 4.42 2.34 -0.95 0.42 118.68 128.45 1rgw s LEU 80 Ca -0.06 -1.34 -0.11 0.00 0.06 0.00 0.00 54.13 52.68 1rgw s LEU 80 Cb -0.20 0.04 0.02 0.00 -0.56 0.00 0.00 46.19 45.50 1rgw s LEU 80 CO -0.04 -0.71 1.07 -1.10 -1.06 0.00 0.00 176.35 174.52 1rgw s GLN 81 N -4.02 2.71 0.01 1.48 -0.21 -0.31 -1.23 119.66 118.09 1rgw s GLN 81 Ca 0.35 0.77 -0.26 0.00 0.02 0.00 0.00 55.36 56.25 1rgw s GLN 81 Cb 0.07 -1.98 -0.16 0.00 1.00 0.00 0.00 33.01 31.95 1rgw s GLN 81 CO 0.12 -1.21 1.21 -0.22 -2.12 0.00 0.00 175.29 173.07 1rgw h LYS 82 N -0.79 -0.58 -0.60 2.91 1.63 -1.72 -3.41 116.57 114.00 1rgw h LYS 82 Ca -0.45 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.42 1rgw h LYS 82 Cb 1.23 0.13 -0.18 0.00 -0.60 0.00 0.00 32.23 32.81 1rgw h LYS 82 CO 0.59 -0.28 -0.28 -1.54 -3.45 0.00 0.00 179.45 174.49 1rgw s SER 83 N -4.84 -0.92 -0.07 4.20 1.04 -1.26 -4.90 113.70 106.95 1rgw s SER 83 Ca -0.14 -0.50 -0.30 0.00 0.48 0.00 0.00 55.95 55.49 1rgw s SER 83 Cb 0.02 1.18 -0.02 0.00 0.10 0.00 0.00 66.02 67.30 1rgw s SER 83 CO 0.51 -0.10 1.02 -0.75 0.98 0.00 0.00 173.24 174.89 1rgw s LYS 84 N 1.86 4.46 0.00 4.02 2.36 -1.26 -5.10 119.74 126.07 1rgw s LYS 84 Ca 0.16 1.43 0.00 0.00 -2.55 0.00 0.00 55.97 55.01 1rgw s LYS 84 Cb -0.00 -3.51 0.00 0.00 -1.05 0.00 0.00 37.83 33.26 1rgw s LYS 84 CO -0.11 -0.25 0.00 0.54 1.55 0.00 0.00 175.35 177.09