#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 2.18 -0.01 -5.12 0.00 -1.26 -1.88 121.76 115.68 1rgw s ALA 2 Ca 0.00 -1.84 0.07 0.00 0.00 0.00 0.00 51.96 50.19 1rgw s ALA 2 Cb 0.00 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 1rgw s ALA 2 CO 0.00 -0.39 -0.23 1.52 0.00 0.00 0.00 175.76 176.66 1rgw s TYR 3 N -3.48 2.07 -0.14 0.00 1.13 -0.35 -4.86 117.35 111.72 1rgw s TYR 3 Ca 0.35 -0.39 0.00 0.00 -1.41 0.00 0.00 57.07 55.62 1rgw s TYR 3 Cb 0.07 -1.31 0.02 0.00 -1.10 0.00 0.00 41.96 39.64 1rgw s TYR 3 CO 0.15 -0.01 -0.14 -1.54 -2.51 0.00 0.00 175.55 171.50 1rgw s SER 4 N -0.66 2.62 -0.04 -0.18 1.04 -1.26 -2.66 113.70 112.57 1rgw s SER 4 Ca 0.09 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.07 1rgw s SER 4 Cb -0.09 -1.14 0.01 0.00 0.10 0.00 0.00 66.02 64.90 1rgw s SER 4 CO -0.00 -0.05 -0.06 0.54 0.98 0.00 0.00 173.24 174.64 1rgw s VAL 5 N 1.46 0.65 -0.49 5.02 0.11 -0.84 -5.01 120.40 121.31 1rgw s VAL 5 Ca 0.04 -0.22 -0.28 0.00 -2.93 0.00 0.00 61.98 58.58 1rgw s VAL 5 Cb -0.13 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1rgw s VAL 5 CO -0.10 0.23 1.42 0.42 -3.33 0.00 0.00 175.10 173.75 1rgw s THR 6 N 0.63 3.84 -0.00 5.04 -4.23 -1.26 -2.29 115.64 117.37 1rgw s THR 6 Ca -0.09 0.79 -0.20 0.00 -1.18 0.00 0.00 61.69 61.01 1rgw s THR 6 Cb -0.12 -4.31 -0.05 0.00 1.34 0.00 0.00 72.50 69.36 1rgw s THR 6 CO 0.01 -0.95 0.59 -0.22 -0.54 0.00 0.00 174.62 173.51 1rgw s LEU 7 N 5.80 4.42 0.12 4.79 2.96 0.68 -4.80 118.68 132.65 1rgw s LEU 7 Ca 0.57 1.15 0.09 0.00 -0.22 0.00 0.00 54.13 55.73 1rgw s LEU 7 Cb -0.12 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 1rgw s LEU 7 CO 0.29 0.11 -0.22 0.28 -1.32 0.00 0.00 176.35 175.49 1rgw s THR 8 N -0.22 1.87 -5.00 3.68 -1.32 -1.26 -0.93 115.64 112.46 1rgw s THR 8 Ca 0.31 -1.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.11 1rgw s THR 8 Cb -0.18 -1.72 0.00 0.00 -1.51 0.00 0.00 72.50 69.09 1rgw s THR 8 CO 0.17 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 1rgw n GLY 9 N 0.87 -0.34 0.08 6.08 0.00 -1.26 -5.01 105.19 105.62 1rgw n GLY 9 Ca -0.18 -1.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 1rgw n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rgw h PRO 10 N 0.34 0.10 0.00 1.61 0.13 -1.99 -3.46 132.00 128.72 1rgw h PRO 10 Ca 0.00 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1rgw h PRO 10 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1rgw h PRO 10 CO 0.00 0.92 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 1rgw n GLY 11 N 1.18 1.36 3.57 1.56 0.00 -1.26 -4.94 105.19 106.66 1rgw n GLY 11 Ca -0.10 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 2.82 -0.14 1.61 0.02 -1.26 -4.86 135.00 133.19 1rgw s PRO 12 Ca 0.00 1.03 -0.11 0.00 0.02 0.00 0.00 61.00 61.94 1rgw s PRO 12 Cb 0.00 -4.34 -0.08 0.00 0.02 0.00 0.00 34.50 30.10 1rgw s PRO 12 CO 0.00 -2.48 0.06 -1.49 -0.33 0.00 0.00 177.00 172.77 1rgw h TRP 13 N 14.80 0.00 0.00 6.54 4.06 -1.98 -3.40 115.95 135.97 1rgw h TRP 13 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 1rgw h TRP 13 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1rgw h TRP 13 CO 1.00 0.38 0.00 0.41 -3.56 0.00 0.00 178.44 176.67 1rgw n GLY 14 N 1.64 0.96 3.50 1.49 0.00 -1.26 -1.14 105.19 110.38 1rgw n GLY 14 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.66 2.43 -0.22 1.61 -0.71 -1.26 -0.41 117.98 117.76 1rgw s PHE 15 Ca 0.00 -0.30 -0.04 0.00 -1.04 0.00 0.00 56.93 55.55 1rgw s PHE 15 Cb 0.00 -1.15 -0.01 0.00 -1.21 0.00 0.00 43.02 40.66 1rgw s PHE 15 CO 0.00 0.57 -0.04 1.03 -1.34 0.00 0.00 175.22 175.44 1rgw s ARG 16 N -3.04 3.37 -0.11 1.99 1.81 -0.02 -4.92 118.95 118.02 1rgw s ARG 16 Ca 0.25 -0.63 -0.17 0.00 -1.72 0.00 0.00 55.73 53.46 1rgw s ARG 16 Cb -0.07 -3.02 -0.04 0.00 -0.45 0.00 0.00 34.95 31.37 1rgw s ARG 16 CO 0.14 -0.20 0.45 -0.51 -0.68 0.00 0.00 175.30 174.50 1rgw s LEU 17 N 1.48 4.29 -0.02 2.53 2.01 -1.26 -0.37 118.68 127.34 1rgw s LEU 17 Ca 0.06 0.79 -0.03 0.00 0.01 0.00 0.00 54.13 54.97 1rgw s LEU 17 Cb -0.14 -2.65 0.00 0.00 0.01 0.00 0.00 46.19 43.41 1rgw s LEU 17 CO -0.03 0.04 0.07 -1.10 1.01 0.00 0.00 176.35 176.33 1rgw s GLN 18 N 0.48 0.12 1.31 1.70 -0.21 -1.20 -4.87 119.66 116.99 1rgw s GLN 18 Ca 0.25 0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.65 1rgw s GLN 18 Cb -0.15 0.05 0.00 0.00 1.00 0.00 0.00 33.01 33.91 1rgw s GLN 18 CO 0.10 -0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.66 1rgw n GLY 19 N 2.86 0.86 0.91 3.09 0.00 -1.26 -2.80 105.19 108.84 1rgw n GLY 19 Ca -0.14 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.99 0.40 -0.02 0.00 -0.37 -3.45 105.19 98.76 1rgw n GLY 20 Ca 0.00 -1.82 0.19 0.00 0.00 0.00 0.00 46.02 44.39 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 0.36 -0.73 1.61 6.56 -1.61 -1.63 116.57 121.14 1rgw h LYS 21 Ca 0.00 -0.02 0.12 0.00 -1.06 0.00 0.00 60.65 59.69 1rgw h LYS 21 Cb 0.00 -0.08 -0.13 0.00 -0.57 0.00 0.00 32.23 31.45 1rgw h LYS 21 CO 0.00 0.24 -0.34 0.22 -2.06 0.00 0.00 179.45 177.51 1rgw h ASP 22 N 0.38 -1.22 -0.11 0.86 1.82 -1.85 -1.55 116.42 114.74 1rgw h ASP 22 Ca 0.45 0.25 0.00 0.00 -0.39 0.00 0.00 57.03 57.34 1rgw h ASP 22 Cb 1.14 0.63 0.00 0.00 0.68 0.00 0.00 39.33 41.78 1rgw h ASP 22 CO -0.15 -0.30 0.00 0.49 -1.61 0.00 0.00 179.24 177.67 1rgw n PHE 23 N -5.45 0.13 -3.53 0.28 3.01 -0.78 -4.91 117.46 106.22 1rgw n PHE 23 Ca 0.06 -0.07 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 1rgw n PHE 23 Cb 0.37 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.91 1rgw n PHE 23 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1rgw n ASN 24 N 0.45 -1.95 -4.36 4.37 5.15 -0.58 -4.99 115.26 113.34 1rgw n ASN 24 Ca 0.17 -0.71 -0.18 0.00 -0.60 0.00 0.00 54.58 53.26 1rgw n ASN 24 Cb 0.39 -4.70 -0.10 0.00 -0.53 0.00 0.00 39.78 34.83 1rgw n ASN 24 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1rgw s MET 25 N -5.56 1.42 0.82 1.20 1.75 -0.68 -5.00 119.30 113.24 1rgw s MET 25 Ca 0.03 -1.74 -0.11 0.00 -1.25 0.00 0.00 55.69 52.62 1rgw s MET 25 Cb -0.01 -0.72 0.08 0.00 2.84 0.00 0.00 34.83 37.03 1rgw s MET 25 CO 0.76 -0.10 1.12 -1.25 -0.65 0.00 0.00 175.02 174.90 1rgw s PRO 26 N -3.86 1.83 -0.37 4.11 0.05 -1.26 -3.73 135.00 131.77 1rgw s PRO 26 Ca 0.30 1.35 -0.29 0.00 0.05 0.00 0.00 61.00 62.42 1rgw s PRO 26 Cb 0.06 -1.84 0.01 0.00 0.05 0.00 0.00 34.50 32.78 1rgw s PRO 26 CO 0.11 -1.99 1.38 -1.17 0.05 0.00 0.00 177.00 175.38 1rgw s LEU 27 N -6.07 3.68 0.31 -3.56 0.20 -1.26 -1.24 118.68 110.75 1rgw s LEU 27 Ca 0.64 0.96 0.10 0.00 0.69 0.00 0.00 54.13 56.52 1rgw s LEU 27 Cb -0.20 -3.54 -0.06 0.00 -0.43 0.00 0.00 46.19 41.96 1rgw s LEU 27 CO 0.55 -1.33 -0.11 0.42 -0.29 0.00 0.00 176.35 175.60 1rgw s THR 28 N 5.11 2.51 0.10 3.68 -4.23 -1.12 -0.33 115.64 121.36 1rgw s THR 28 Ca 0.60 -2.21 0.09 0.00 -1.18 0.00 0.00 61.69 58.99 1rgw s THR 28 Cb -0.15 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1rgw s THR 28 CO 0.30 -0.29 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.24 1rgw s ILE 29 N -2.53 2.53 0.00 2.99 1.01 -0.76 -3.25 121.20 121.19 1rgw s ILE 29 Ca 0.32 -1.52 0.00 0.00 0.00 0.00 0.00 60.65 59.45 1rgw s ILE 29 Cb -0.02 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1rgw s ILE 29 CO 0.17 0.18 0.00 -0.24 0.00 0.00 0.00 174.94 175.04 1rgw n SER 30 N 1.11 0.00 -3.88 3.58 2.88 0.51 -3.02 113.62 114.79 1rgw n SER 30 Ca -0.17 0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.31 1rgw n SER 30 Cb 0.53 -0.12 -0.08 0.00 -0.75 0.00 0.00 64.21 63.78 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 -0.24 1.46 0.18 -1.46 0.52 -1.26 -4.56 118.95 113.58 1rgw s ARG 31 Ca 0.00 -1.66 -0.05 0.00 -0.52 0.00 0.00 55.73 53.51 1rgw s ARG 31 Cb 0.00 0.34 -0.05 0.00 0.52 0.00 0.00 34.95 35.75 1rgw s ARG 31 CO 0.00 -0.53 0.41 0.42 0.02 0.00 0.00 175.30 175.62 1rgw s ILE 32 N -3.86 5.14 -0.15 1.52 1.09 -1.26 -0.84 121.20 122.83 1rgw s ILE 32 Ca 0.35 0.01 -0.25 0.00 -1.10 0.00 0.00 60.65 59.66 1rgw s ILE 32 Cb 0.04 -3.65 -0.02 0.00 -1.06 0.00 0.00 42.46 37.77 1rgw s ILE 32 CO 0.16 -0.04 0.81 -0.89 -0.10 0.00 0.00 174.94 174.88 1rgw s THR 33 N -1.75 4.90 0.50 2.92 2.01 0.46 -4.93 115.64 119.74 1rgw s THR 33 Ca 0.41 1.61 -0.21 0.00 0.31 0.00 0.00 61.69 63.81 1rgw s THR 33 Cb -0.12 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.20 1rgw s THR 33 CO 0.26 0.06 1.16 -2.16 -0.69 0.00 0.00 174.62 173.24 1rgw s PRO 34 N 1.96 3.55 0.00 4.92 0.04 -1.26 -3.06 135.00 141.14 1rgw s PRO 34 Ca 0.38 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1rgw s PRO 34 Cb -0.17 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1rgw s PRO 34 CO 0.13 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1rgw n GLY 35 N 0.35 0.71 3.77 0.56 0.00 -1.26 -5.05 105.19 104.27 1rgw n GLY 35 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.34 4.61 0.32 1.61 0.01 -1.17 -4.97 113.70 111.77 1rgw s SER 36 Ca 0.00 -0.94 0.03 0.00 1.31 0.00 0.00 55.95 56.35 1rgw s SER 36 Cb 0.00 -0.55 0.61 0.00 0.21 0.00 0.00 66.02 66.29 1rgw s SER 36 CO 0.00 -0.51 1.93 0.11 0.41 0.00 0.00 173.24 175.18 1rgw h LYS 37 N 1.37 0.90 -0.06 12.44 1.79 -1.75 -0.21 116.57 131.04 1rgw h LYS 37 Ca -0.43 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.01 1rgw h LYS 37 Cb 1.26 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1rgw h LYS 37 CO 0.66 0.59 0.18 0.00 -1.08 0.00 0.00 179.45 179.81 1rgw h ALA 38 N 1.55 1.38 0.03 3.86 0.00 -1.43 -2.39 119.26 122.25 1rgw h ALA 38 Ca 0.36 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.91 1rgw h ALA 38 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1rgw h ALA 38 CO -0.13 -0.22 -2.05 0.00 0.00 0.00 0.00 179.25 176.85 1rgw n ALA 39 N -2.09 1.06 -0.07 0.00 0.00 -0.17 -4.26 120.51 114.98 1rgw n ALA 39 Ca -0.01 -0.81 -0.07 0.00 0.00 0.00 0.00 53.44 52.55 1rgw n ALA 39 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.53 0.02 0.00 0.00 1.08 -1.05 -3.46 115.11 111.16 1rgw h GLN 40 Ca -0.51 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1rgw h GLN 40 Cb 1.69 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.12 1rgw h GLN 40 CO -0.17 0.01 0.00 0.45 -0.95 0.00 0.00 178.83 178.17 1rgw n SER 41 N -5.23 0.00 0.01 1.46 2.88 -0.93 -4.96 113.62 106.86 1rgw n SER 41 Ca -0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1rgw n SER 41 Cb 0.16 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.06 -2.18 -1.46 0.00 -1.26 -4.93 117.38 107.62 1rgw n GLN 42 Ca 0.00 0.02 -0.37 0.00 0.00 0.00 0.00 57.00 56.65 1rgw n GLN 42 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 28.71 1rgw n GLN 42 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1rgw s LEU 43 N -3.25 3.92 -0.46 2.61 2.96 -1.26 -5.03 118.68 118.17 1rgw s LEU 43 Ca 0.10 2.35 0.06 0.00 -0.22 0.00 0.00 54.13 56.43 1rgw s LEU 43 Cb 0.17 -4.33 0.21 0.00 0.50 0.00 0.00 46.19 42.74 1rgw s LEU 43 CO 0.69 -1.11 0.62 -1.20 -1.32 0.00 0.00 176.35 174.04 1rgw n SER 44 N -0.78 -1.90 -4.51 3.68 7.64 -1.26 -4.63 113.62 111.86 1rgw n SER 44 Ca 0.09 -2.82 -0.42 0.00 1.01 0.00 0.00 58.87 56.74 1rgw n SER 44 Cb 0.48 0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 64.34 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 2.36 0.91 0.00 1.43 6.02 -1.26 -4.64 117.38 122.20 1rgw n GLN 45 Ca 0.20 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1rgw n GLN 45 Cb 0.55 -2.75 0.00 0.00 1.02 0.00 0.00 30.24 29.06 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 6.24 0.00 0.00 1.08 0.00 -1.26 -4.29 105.19 106.96 1rgw n GLY 46 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.56 1.61 -0.08 -1.17 -4.79 116.55 107.57 1rgw n ASP 47 Ca 0.00 -0.69 -0.43 0.00 -1.51 0.00 0.00 54.79 52.16 1rgw n ASP 47 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 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 4.03 -0.26 -2.67 2.01 -1.26 -1.83 118.68 118.70 1rgw s LEU 48 Ca 0.00 0.01 -0.29 0.00 0.01 0.00 0.00 54.13 53.86 1rgw s LEU 48 Cb 0.00 -3.11 0.01 0.00 0.01 0.00 0.00 46.19 43.10 1rgw s LEU 48 CO 0.00 -1.08 1.07 -0.69 1.01 0.00 0.00 176.35 176.66 1rgw s VAL 49 N 3.78 4.57 -0.06 -1.59 1.01 0.56 -0.70 120.40 127.97 1rgw s VAL 49 Ca 0.35 1.87 -0.03 0.00 0.00 0.00 0.00 61.98 64.17 1rgw s VAL 49 Cb -0.11 -4.33 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1rgw s VAL 49 CO 0.25 -0.30 -0.06 0.58 0.00 0.00 0.00 175.10 175.57 1rgw h VAL 50 N 5.58 0.00 -4.36 2.92 2.07 -0.49 -3.42 116.25 118.55 1rgw h VAL 50 Ca -0.20 -0.50 -0.65 0.00 0.82 0.00 0.00 66.70 66.16 1rgw h VAL 50 Cb 1.06 0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 30.56 1rgw h VAL 50 CO 1.00 0.00 -0.87 0.00 0.02 0.00 0.00 177.57 177.72 1rgw s ALA 51 N -2.83 2.02 -0.07 1.67 0.00 -0.72 -0.86 121.76 120.97 1rgw s ALA 51 Ca -0.05 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1rgw s ALA 51 Cb 0.01 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1rgw s ALA 51 CO 0.07 0.48 -0.04 -1.50 0.00 0.00 0.00 175.76 174.76 1rgw s ILE 52 N -0.71 0.67 -1.38 0.00 2.07 0.76 -1.19 121.20 121.42 1rgw s ILE 52 Ca 0.10 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 1rgw s ILE 52 Cb -0.09 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.77 1rgw s ILE 52 CO 0.01 0.29 0.00 -0.67 -1.91 0.00 0.00 174.94 172.66 1rgw n ASP 53 N 4.63 -5.37 0.00 4.50 2.03 -0.22 -0.48 116.55 121.65 1rgw n ASP 53 Ca -0.15 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1rgw n ASP 53 Cb 0.50 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 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 -0.32 0.96 3.58 0.27 0.00 -1.25 -4.95 105.19 103.48 1rgw n GLY 54 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.76 4.34 0.20 1.61 1.01 0.37 -4.93 120.40 120.25 1rgw s VAL 55 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 1rgw s VAL 55 Cb 0.00 -2.92 -0.10 0.00 0.00 0.00 0.00 36.38 33.35 1rgw s VAL 55 CO 0.00 0.49 1.55 0.54 0.00 0.00 0.00 175.10 177.68 1rgw s ASN 56 N 0.27 6.56 0.00 3.32 4.22 -1.26 -0.17 114.94 127.88 1rgw s ASN 56 Ca 0.00 2.69 0.00 0.00 -2.14 0.00 0.00 52.86 53.41 1rgw s ASN 56 Cb -0.13 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.79 1rgw s ASN 56 CO 0.02 -0.82 0.86 0.35 -2.04 0.00 0.00 177.10 175.47 1rgw n THR 57 N 3.36 0.86 -0.24 0.54 -2.24 -0.04 -4.64 114.28 111.88 1rgw n THR 57 Ca 0.12 -0.11 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1rgw n THR 57 Cb 0.38 -0.99 0.36 0.00 -2.10 0.00 0.00 70.33 67.99 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 1.18 0.67 0.00 3.42 3.58 -1.90 -2.48 116.42 120.90 1rgw h ASP 58 Ca 0.00 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 1rgw h ASP 58 Cb 0.64 -0.11 -0.14 0.00 1.72 0.00 0.00 39.33 41.44 1rgw h ASP 58 CO 0.00 0.38 -0.61 1.07 -2.88 0.00 0.00 179.24 177.20 1rgw n THR 59 N -4.52 0.79 -3.52 2.25 5.66 -1.26 -5.05 114.28 108.62 1rgw n THR 59 Ca 0.15 -1.43 -0.30 0.00 -3.05 0.00 0.00 64.05 59.43 1rgw n THR 59 Cb 0.37 0.40 -0.04 0.00 -1.55 0.00 0.00 70.33 69.51 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 -1.17 3.63 0.52 1.09 -1.94 -0.93 -4.92 119.30 115.57 1rgw s MET 60 Ca 0.25 -0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 1rgw s MET 60 Cb 0.26 -2.74 -0.00 0.00 2.01 0.00 0.00 34.83 34.36 1rgw s MET 60 CO -0.07 0.34 0.01 0.95 -0.01 0.00 0.00 175.02 176.23 1rgw s THR 61 N -1.88 1.02 0.18 2.05 -4.23 -1.26 -2.94 115.64 108.57 1rgw s THR 61 Ca 0.42 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.71 1rgw s THR 61 Cb -0.11 -2.04 0.09 0.00 1.34 0.00 0.00 72.50 71.77 1rgw s THR 61 CO 0.27 0.00 1.58 -0.74 -0.54 0.00 0.00 174.62 175.19 1rgw h HIS 62 N 1.30 -1.03 -0.21 3.99 2.76 -1.90 0.21 115.15 120.27 1rgw h HIS 62 Ca -0.44 0.07 0.05 0.00 -2.20 0.00 0.00 60.37 57.86 1rgw h HIS 62 Cb 1.33 0.53 -0.05 0.00 1.55 0.00 0.00 27.41 30.77 1rgw h HIS 62 CO 1.65 -0.40 -0.11 1.25 -1.30 0.00 0.00 177.93 179.02 1rgw h LEU 63 N -0.20 -0.37 -0.29 0.26 5.85 -1.96 -2.22 115.31 116.39 1rgw h LEU 63 Ca 0.21 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1rgw h LEU 63 Cb 0.56 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1rgw h LEU 63 CO -0.67 -0.15 0.13 -0.08 -0.34 0.00 0.00 178.44 177.33 1rgw h GLU 64 N -0.09 0.42 -0.41 1.25 4.81 -1.84 -1.44 114.58 117.28 1rgw h GLU 64 Ca 0.12 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1rgw h GLU 64 Cb 0.27 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1rgw h GLU 64 CO -0.27 0.42 -0.01 0.00 -0.73 0.00 0.00 179.01 178.42 1rgw h ALA 65 N 0.98 1.22 -0.15 2.92 0.00 -0.95 0.16 119.26 123.43 1rgw h ALA 65 Ca 0.10 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1rgw h ALA 65 Cb 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1rgw h ALA 65 CO -0.01 0.52 -0.03 0.37 0.00 0.00 0.00 179.25 180.09 1rgw h GLN 66 N 0.62 0.01 -0.62 0.00 5.75 -1.26 -1.57 115.11 118.04 1rgw h GLN 66 Ca 0.13 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1rgw h GLN 66 Cb 0.41 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 1rgw h GLN 66 CO 0.02 0.01 0.23 -0.91 -2.65 0.00 0.00 178.83 175.52 1rgw h ASN 67 N 0.01 0.87 -0.28 -0.69 2.35 -0.68 -1.77 115.58 115.38 1rgw h ASN 67 Ca 0.07 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1rgw h ASN 67 Cb 0.11 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1rgw h ASN 67 CO -0.15 0.82 0.07 0.11 -1.65 0.00 0.00 177.43 176.63 1rgw h LYS 68 N 0.87 0.45 -0.17 0.81 1.79 -0.61 -2.40 116.57 117.31 1rgw h LYS 68 Ca 0.20 -0.11 0.05 0.00 -2.18 0.00 0.00 60.65 58.61 1rgw h LYS 68 Cb 0.23 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.77 1rgw h LYS 68 CO -0.01 0.53 -0.15 0.82 -1.08 0.00 0.00 179.45 179.56 1rgw h ILE 69 N 0.29 0.59 0.00 1.86 2.04 -1.27 -2.83 117.51 118.18 1rgw h ILE 69 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1rgw h ILE 69 Cb 0.28 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 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 -5.30 0.60 0.09 2.37 4.01 -0.67 -2.69 118.16 116.56 1rgw n LYS 70 Ca -0.02 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.90 1rgw n LYS 70 Cb 0.22 -1.49 0.19 0.00 -0.51 0.00 0.00 35.03 33.44 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 0.00 -3.44 4.39 0.87 -1.16 -3.46 113.55 110.74 1rgw h SER 71 Ca 0.00 -0.12 -0.66 0.00 -1.23 0.00 0.00 61.79 59.77 1rgw h SER 71 Cb 0.00 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.82 1rgw h SER 71 CO 0.00 0.06 -0.67 0.00 -0.53 0.00 0.00 176.83 175.69 1rgw s ALA 72 N -3.19 3.20 0.00 6.23 0.00 -1.10 -4.99 121.76 121.91 1rgw s ALA 72 Ca 0.06 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1rgw s ALA 72 Cb 0.12 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1rgw s ALA 72 CO 0.70 0.65 0.00 -1.13 0.00 0.00 0.00 175.76 175.99 1rgw n SER 73 N 1.20 0.00 -0.05 0.00 3.41 -1.26 -4.91 113.62 112.00 1rgw n SER 73 Ca -0.14 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.44 1rgw n SER 73 Cb 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 -3.10 7.33 3.20 -1.91 -3.40 116.97 119.08 1rgw h TYR 74 Ca 0.00 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.65 1rgw h TYR 74 Cb 0.00 0.00 -0.31 0.00 1.54 0.00 0.00 36.73 37.96 1rgw h TYR 74 CO 0.00 0.24 -0.54 0.54 -1.64 0.00 0.00 178.16 176.76 1rgw s ASN 75 N -5.71 -0.10 -0.32 -2.11 6.03 -1.26 -4.70 114.94 106.76 1rgw s ASN 75 Ca -0.05 0.43 -0.08 0.00 -1.03 0.00 0.00 52.86 52.14 1rgw s ASN 75 Cb -0.01 0.33 0.02 0.00 -3.03 0.00 0.00 41.25 38.57 1rgw s ASN 75 CO 0.17 -0.17 0.11 -0.22 -2.03 0.00 0.00 177.10 174.96 1rgw s LEU 76 N 1.38 4.15 -0.55 3.54 2.96 -0.11 -4.90 118.68 125.15 1rgw s LEU 76 Ca -0.08 -0.87 -0.18 0.00 -0.22 0.00 0.00 54.13 52.79 1rgw s LEU 76 Cb -0.11 -1.91 0.10 0.00 0.50 0.00 0.00 46.19 44.77 1rgw s LEU 76 CO -0.07 -0.26 0.59 -0.55 -1.32 0.00 0.00 176.35 174.73 1rgw s SER 77 N 1.49 6.19 -0.11 3.68 0.15 -1.26 -0.23 113.70 123.60 1rgw s SER 77 Ca 0.01 -1.42 -0.03 0.00 0.70 0.00 0.00 55.95 55.21 1rgw s SER 77 Cb -0.18 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 61.84 1rgw s SER 77 CO 0.04 -0.94 0.02 -0.76 1.20 0.00 0.00 173.24 172.80 1rgw s LEU 78 N 2.23 3.66 -0.20 3.45 2.01 -0.97 -1.05 118.68 127.81 1rgw s LEU 78 Ca 0.09 0.13 0.00 0.00 0.01 0.00 0.00 54.13 54.36 1rgw s LEU 78 Cb -0.25 -1.86 0.05 0.00 0.01 0.00 0.00 46.19 44.14 1rgw s LEU 78 CO 0.06 0.32 -0.07 -0.89 1.01 0.00 0.00 176.35 176.78 1rgw s THR 79 N -0.54 1.44 0.16 5.49 2.01 -0.34 -1.98 115.64 121.88 1rgw s THR 79 Ca 0.10 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1rgw s THR 79 Cb -0.12 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 1rgw s THR 79 CO 0.02 0.09 -0.04 -1.48 -0.69 0.00 0.00 174.62 172.53 1rgw s LEU 80 N 1.48 2.31 0.85 4.42 2.34 -1.09 0.27 118.68 129.26 1rgw s LEU 80 Ca -0.02 -1.11 -0.12 0.00 0.06 0.00 0.00 54.13 52.95 1rgw s LEU 80 Cb -0.16 -0.17 0.10 0.00 -0.56 0.00 0.00 46.19 45.40 1rgw s LEU 80 CO -0.08 -0.48 1.13 -1.10 -1.06 0.00 0.00 176.35 174.77 1rgw s GLN 81 N -3.85 1.62 -0.54 1.48 -0.21 0.13 -1.21 119.66 117.08 1rgw s GLN 81 Ca 0.21 0.38 -0.12 0.00 0.02 0.00 0.00 55.36 55.85 1rgw s GLN 81 Cb 0.05 -1.89 0.14 0.00 1.00 0.00 0.00 33.01 32.31 1rgw s GLN 81 CO 0.02 -1.89 0.45 0.15 -2.12 0.00 0.00 175.29 171.91 1rgw s LYS 82 N -5.28 2.78 0.00 2.91 -0.14 -0.79 -4.57 119.74 114.66 1rgw s LYS 82 Ca 0.62 -1.86 0.08 0.00 -1.36 0.00 0.00 55.97 53.45 1rgw s LYS 82 Cb -0.14 -4.10 0.22 0.00 -1.68 0.00 0.00 37.83 32.12 1rgw s LYS 82 CO 0.53 -1.25 1.14 0.43 -0.76 0.00 0.00 175.35 175.44 1rgw n SER 83 N 4.85 2.59 -4.81 2.83 7.64 -1.26 -4.97 113.62 120.49 1rgw n SER 83 Ca -0.07 -1.92 -0.36 0.00 1.01 0.00 0.00 58.87 57.53 1rgw n SER 83 Cb 0.41 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 1rgw n SER 83 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1rgw s LYS 84 N -0.96 4.27 0.00 1.43 2.20 -1.26 -5.16 119.74 120.25 1rgw s LYS 84 Ca 0.17 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 1rgw s LYS 84 Cb 0.09 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 1rgw s LYS 84 CO 0.12 0.36 0.26 -2.13 -0.36 0.00 0.00 175.35 173.60