#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 1.73 0.17 3.04 0.00 -1.26 -2.63 121.76 122.81 1rgw s ALA 2 Ca 0.00 -1.42 0.08 0.00 0.00 0.00 0.00 51.96 50.62 1rgw s ALA 2 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1rgw s ALA 2 CO 0.00 0.13 -0.09 1.52 0.00 0.00 0.00 175.76 177.32 1rgw s TYR 3 N -2.31 2.67 -0.08 0.00 1.13 -0.85 -4.93 117.35 112.98 1rgw s TYR 3 Ca 0.14 -0.21 0.01 0.00 -1.41 0.00 0.00 57.07 55.60 1rgw s TYR 3 Cb -0.04 -1.32 0.02 0.00 -1.10 0.00 0.00 41.96 39.52 1rgw s TYR 3 CO 0.05 0.49 -0.09 0.45 -2.51 0.00 0.00 175.55 173.94 1rgw s SER 4 N -2.72 1.82 -0.04 -0.18 0.15 -1.26 -2.51 113.70 108.97 1rgw s SER 4 Ca 0.24 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.66 1rgw s SER 4 Cb -0.09 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 1rgw s SER 4 CO 0.15 -0.05 -0.14 0.54 1.20 0.00 0.00 173.24 174.93 1rgw s VAL 5 N 1.20 1.23 -0.24 4.45 0.11 -0.77 -4.99 120.40 121.40 1rgw s VAL 5 Ca -0.05 -0.59 -0.25 0.00 -2.93 0.00 0.00 61.98 58.15 1rgw s VAL 5 Cb -0.14 -1.07 -0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1rgw s VAL 5 CO -0.02 0.36 0.87 0.42 -3.33 0.00 0.00 175.10 173.40 1rgw s THR 6 N 0.17 4.81 -0.14 5.04 -4.23 -1.26 -2.04 115.64 117.99 1rgw s THR 6 Ca -0.05 1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 62.05 1rgw s THR 6 Cb -0.11 -4.15 -0.04 0.00 1.34 0.00 0.00 72.50 69.54 1rgw s THR 6 CO 0.02 -0.09 0.05 -0.22 -0.54 0.00 0.00 174.62 173.84 1rgw s LEU 7 N 2.86 3.81 0.15 4.79 2.96 0.71 -4.88 118.68 129.07 1rgw s LEU 7 Ca 0.37 0.15 0.09 0.00 -0.22 0.00 0.00 54.13 54.52 1rgw s LEU 7 Cb -0.15 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1rgw s LEU 7 CO 0.07 0.27 -0.21 0.28 -1.32 0.00 0.00 176.35 175.44 1rgw s THR 8 N -0.19 1.95 -5.00 3.68 -1.32 -1.26 -0.35 115.64 113.15 1rgw s THR 8 Ca 0.07 -1.80 0.00 0.00 -1.21 0.00 0.00 61.69 58.76 1rgw s THR 8 Cb -0.12 -1.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.04 1rgw s THR 8 CO 0.01 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 1rgw n GLY 9 N 0.63 0.41 0.00 6.08 0.00 -0.96 -5.03 105.19 106.32 1rgw n GLY 9 Ca -0.16 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1rgw n GLY 9 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rgw n PRO 10 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -4.49 135.00 130.84 1rgw n PRO 10 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1rgw n PRO 10 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1rgw n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rgw n GLY 11 N 0.37 1.04 3.32 -1.23 0.00 -1.26 -4.64 105.19 102.79 1rgw n GLY 11 Ca 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1rgw n GLY 11 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rgw n PRO 12 N 0.00 1.47 0.39 1.61 -0.02 -1.26 -4.81 135.00 132.38 1rgw n PRO 12 Ca 0.00 -2.07 -0.18 0.00 -2.02 0.00 0.00 63.50 59.23 1rgw n PRO 12 Cb 0.00 -3.25 -0.09 0.00 -0.02 0.00 0.00 33.50 30.14 1rgw n PRO 12 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1rgw h TRP 13 N 8.77 -0.88 0.00 6.00 4.06 -1.98 -3.43 115.95 128.49 1rgw h TRP 13 Ca 0.33 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.26 1rgw h TRP 13 Cb 0.78 0.29 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1rgw h TRP 13 CO 1.22 -0.54 0.00 0.41 -3.56 0.00 0.00 178.44 175.96 1rgw n GLY 14 N -1.46 0.62 3.25 1.49 0.00 -1.26 -1.14 105.19 106.69 1rgw n GLY 14 Ca -0.14 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.77 1.26 -0.11 1.61 -0.71 -1.26 -0.15 117.98 117.84 1rgw s PHE 15 Ca 0.00 -0.81 0.03 0.00 -1.04 0.00 0.00 56.93 55.11 1rgw s PHE 15 Cb 0.00 -0.66 0.01 0.00 -1.21 0.00 0.00 43.02 41.15 1rgw s PHE 15 CO 0.00 0.02 -0.22 1.03 -1.34 0.00 0.00 175.22 174.71 1rgw s ARG 16 N -3.78 2.91 -0.24 1.99 1.81 -0.63 -4.88 118.95 116.13 1rgw s ARG 16 Ca 0.18 -0.82 -0.07 0.00 -1.72 0.00 0.00 55.73 53.30 1rgw s ARG 16 Cb 0.03 -2.27 -0.03 0.00 -0.45 0.00 0.00 34.95 32.24 1rgw s ARG 16 CO 0.01 0.09 0.06 -0.51 -0.68 0.00 0.00 175.30 174.27 1rgw s LEU 17 N 0.57 3.43 -0.03 2.53 2.01 -1.26 -0.30 118.68 125.63 1rgw s LEU 17 Ca -0.14 -0.19 -0.01 0.00 0.01 0.00 0.00 54.13 53.81 1rgw s LEU 17 Cb -0.17 -1.91 0.03 0.00 0.01 0.00 0.00 46.19 44.15 1rgw s LEU 17 CO 0.04 -0.01 0.06 -1.10 1.01 0.00 0.00 176.35 176.35 1rgw s GLN 18 N 1.44 -0.02 0.00 1.70 -0.21 -1.19 -4.93 119.66 116.45 1rgw s GLN 18 Ca 0.05 0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.71 1rgw s GLN 18 Cb -0.15 -0.29 0.00 0.00 1.00 0.00 0.00 33.01 33.57 1rgw s GLN 18 CO 0.03 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.40 1rgw n GLY 19 N 4.48 0.14 0.00 3.09 0.00 -1.26 -3.83 105.19 107.80 1rgw n GLY 19 Ca -0.21 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 2.53 0.52 -0.02 0.00 -0.37 -4.53 105.19 103.32 1rgw n GLY 20 Ca 0.00 -1.87 0.34 0.00 0.00 0.00 0.00 46.02 44.48 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 0.06 -0.45 1.61 1.63 -1.66 -1.69 116.57 116.07 1rgw h LYS 21 Ca 0.00 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1rgw h LYS 21 Cb 0.00 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1rgw h LYS 21 CO 0.00 0.04 0.05 0.22 -3.45 0.00 0.00 179.45 176.31 1rgw h ASP 22 N 0.06 0.66 0.00 4.20 3.58 -1.88 -3.24 116.42 119.81 1rgw h ASP 22 Ca 0.58 -0.13 -0.18 0.00 0.42 0.00 0.00 57.03 57.72 1rgw h ASP 22 Cb 2.19 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 43.03 1rgw h ASP 22 CO -0.06 0.70 -1.03 -0.26 -2.88 0.00 0.00 179.24 175.71 1rgw h PHE 23 N 0.67 0.00 0.00 0.28 0.04 -1.76 -3.48 116.94 112.69 1rgw h PHE 23 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1rgw h PHE 23 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1rgw h PHE 23 CO 0.02 1.23 0.00 0.27 -0.60 0.00 0.00 178.31 179.23 1rgw n ASN 24 N -4.48 0.00 -4.86 2.17 6.94 -1.11 -5.12 115.26 108.80 1rgw n ASN 24 Ca -0.26 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.07 1rgw n ASN 24 Cb 0.60 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 38.09 1rgw n ASN 24 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1rgw s MET 25 N 0.00 2.18 0.79 -3.83 -1.94 -0.68 -4.88 119.30 110.94 1rgw s MET 25 Ca 0.00 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.12 1rgw s MET 25 Cb 0.00 -2.36 0.07 0.00 2.01 0.00 0.00 34.83 34.55 1rgw s MET 25 CO 0.00 -1.07 1.09 -1.25 -0.01 0.00 0.00 175.02 173.77 1rgw s PRO 26 N -5.00 2.14 -0.52 2.03 0.04 -1.26 -2.37 135.00 130.05 1rgw s PRO 26 Ca 0.61 0.85 -0.27 0.00 0.04 0.00 0.00 61.00 62.23 1rgw s PRO 26 Cb -0.09 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1rgw s PRO 26 CO 0.42 -1.63 1.91 -1.17 0.04 0.00 0.00 177.00 176.57 1rgw s LEU 27 N -5.84 3.36 0.23 -3.56 0.20 -1.26 -1.23 118.68 110.57 1rgw s LEU 27 Ca 0.61 0.68 0.10 0.00 0.69 0.00 0.00 54.13 56.21 1rgw s LEU 27 Cb -0.16 -2.78 -0.05 0.00 -0.43 0.00 0.00 46.19 42.78 1rgw s LEU 27 CO 0.55 -2.27 -0.19 0.42 -0.29 0.00 0.00 176.35 174.57 1rgw s THR 28 N 8.92 2.15 0.08 3.68 -4.23 -1.25 -1.13 115.64 123.87 1rgw s THR 28 Ca 0.74 -2.21 0.10 0.00 -1.18 0.00 0.00 61.69 59.14 1rgw s THR 28 Cb -0.16 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1rgw s THR 28 CO 0.25 -0.39 -0.27 -0.63 -0.54 0.00 0.00 174.62 173.04 1rgw s ILE 29 N -2.41 2.21 0.00 2.99 1.01 -0.22 -3.15 121.20 121.63 1rgw s ILE 29 Ca 0.24 -1.55 0.00 0.00 0.00 0.00 0.00 60.65 59.34 1rgw s ILE 29 Cb -0.05 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1rgw s ILE 29 CO 0.11 0.24 0.00 -0.24 0.00 0.00 0.00 174.94 175.05 1rgw n SER 30 N 1.38 0.00 -3.32 3.58 2.88 0.59 -2.70 113.62 116.03 1rgw n SER 30 Ca -0.17 0.04 -0.11 0.00 -1.33 0.00 0.00 58.87 57.30 1rgw n SER 30 Cb 0.52 -0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 1rgw n SER 30 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1rgw s ARG 31 N -0.15 1.96 0.50 -1.46 6.06 -1.26 -4.50 118.95 120.11 1rgw s ARG 31 Ca 0.00 -1.46 -0.21 0.00 -2.50 0.00 0.00 55.73 51.56 1rgw s ARG 31 Cb 0.00 0.54 -0.07 0.00 0.06 0.00 0.00 34.95 35.47 1rgw s ARG 31 CO 0.00 -0.87 1.09 0.42 -2.50 0.00 0.00 175.30 173.44 1rgw s ILE 32 N -3.03 3.46 0.11 4.11 1.09 -1.26 -1.61 121.20 124.08 1rgw s ILE 32 Ca 0.21 0.95 -0.30 0.00 -1.10 0.00 0.00 60.65 60.41 1rgw s ILE 32 Cb -0.03 -3.40 -0.06 0.00 -1.06 0.00 0.00 42.46 37.91 1rgw s ILE 32 CO 0.13 -0.16 0.98 -0.89 -0.10 0.00 0.00 174.94 174.91 1rgw s THR 33 N -1.82 4.44 0.00 2.92 2.01 0.79 -4.91 115.64 119.07 1rgw s THR 33 Ca 0.68 2.01 0.00 0.00 0.31 0.00 0.00 61.69 64.69 1rgw s THR 33 Cb -0.21 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.01 1rgw s THR 33 CO 0.25 0.30 0.54 -2.65 -0.69 0.00 0.00 174.62 172.37 1rgw n PRO 34 N 2.83 0.00 -2.61 4.92 -0.02 -1.26 -3.16 135.00 135.70 1rgw n PRO 34 Ca 0.03 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.67 1rgw n PRO 34 Cb 0.49 -0.87 0.01 0.00 -0.02 0.00 0.00 33.50 33.11 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 -0.94 5.97 3.87 -1.23 0.00 -1.26 -4.76 105.19 106.84 1rgw n GLY 35 Ca 0.00 -2.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.11 1rgw n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rgw s SER 36 N -1.80 4.45 0.25 1.61 1.04 -1.19 -5.02 113.70 113.03 1rgw s SER 36 Ca 0.43 -1.45 0.05 0.00 0.48 0.00 0.00 55.95 55.46 1rgw s SER 36 Cb 0.24 0.60 0.28 0.00 0.10 0.00 0.00 66.02 67.24 1rgw s SER 36 CO -0.17 -1.08 1.58 0.11 0.98 0.00 0.00 173.24 174.66 1rgw h LYS 37 N 0.91 0.21 -0.32 4.02 6.56 -1.80 -2.94 116.57 123.21 1rgw h LYS 37 Ca -0.39 -0.14 0.09 0.00 -1.06 0.00 0.00 60.65 59.15 1rgw h LYS 37 Cb 1.32 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.98 1rgw h LYS 37 CO 0.63 0.74 0.23 0.00 -2.06 0.00 0.00 179.45 178.99 1rgw h ALA 38 N 1.23 2.27 0.00 3.86 0.00 -1.40 -1.99 119.26 123.23 1rgw h ALA 38 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1rgw h ALA 38 Cb 1.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1rgw h ALA 38 CO 0.09 -0.40 -0.81 0.00 0.00 0.00 0.00 179.25 178.13 1rgw h ALA 39 N 1.83 0.55 0.01 0.00 0.00 -1.77 -3.40 119.26 116.48 1rgw h ALA 39 Ca 0.15 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1rgw h ALA 39 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1rgw h ALA 39 CO -0.00 0.92 -0.00 1.96 0.00 0.00 0.00 179.25 182.13 1rgw h GLN 40 N 0.00 -0.01 0.00 0.00 4.20 -1.28 -3.48 115.11 114.55 1rgw h GLN 40 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1rgw h GLN 40 Cb 1.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.35 1rgw h GLN 40 CO 0.09 0.47 0.00 0.45 -0.67 0.00 0.00 178.83 179.17 1rgw n SER 41 N -4.86 0.00 -0.28 1.46 2.88 -1.21 -4.92 113.62 106.69 1rgw n SER 41 Ca -0.08 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.53 1rgw n SER 41 Cb 0.25 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.06 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 1.36 -2.56 -1.46 6.02 -1.26 -4.89 117.38 114.59 1rgw n GLN 42 Ca 0.00 -0.55 -0.43 0.00 -0.01 0.00 0.00 57.00 56.01 1rgw n GLN 42 Cb 0.00 -1.28 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 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 -1.41 4.17 -0.63 1.08 2.96 -1.26 -4.95 118.68 118.64 1rgw s LEU 43 Ca 0.25 1.56 0.06 0.00 -0.22 0.00 0.00 54.13 55.77 1rgw s LEU 43 Cb 0.12 -3.54 0.25 0.00 0.50 0.00 0.00 46.19 43.52 1rgw s LEU 43 CO 0.19 -0.66 0.73 -0.24 -1.32 0.00 0.00 176.35 175.05 1rgw n SER 44 N 6.09 3.56 -4.56 3.68 2.88 -1.26 -4.73 113.62 119.28 1rgw n SER 44 Ca 0.12 -3.40 -0.42 0.00 -1.33 0.00 0.00 58.87 53.84 1rgw n SER 44 Cb 0.46 -0.67 -0.03 0.00 -0.75 0.00 0.00 64.21 63.22 1rgw n SER 44 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1rgw s GLN 45 N -2.38 3.33 0.00 -1.46 0.74 -1.26 -4.53 119.66 114.09 1rgw s GLN 45 Ca 0.39 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.75 1rgw s GLN 45 Cb 0.14 -4.11 0.00 0.00 1.10 0.00 0.00 33.01 30.15 1rgw s GLN 45 CO -0.02 -1.93 0.00 0.41 -0.55 0.00 0.00 175.29 173.20 1rgw n GLY 46 N 5.24 0.00 0.00 2.59 0.00 -1.26 -4.09 105.19 107.67 1rgw n GLY 46 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.55 1.61 -0.08 -1.10 -4.74 116.55 107.69 1rgw n ASP 47 Ca 0.00 -0.26 -0.42 0.00 -1.51 0.00 0.00 54.79 52.59 1rgw n ASP 47 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1rgw n ASP 47 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1rgw s LEU 48 N 0.00 4.32 0.16 -2.67 0.20 -1.26 -1.05 118.68 118.37 1rgw s LEU 48 Ca 0.00 -0.02 -0.22 0.00 0.69 0.00 0.00 54.13 54.58 1rgw s LEU 48 Cb 0.00 -2.82 -0.08 0.00 -0.43 0.00 0.00 46.19 42.87 1rgw s LEU 48 CO 0.00 -0.71 0.70 -0.69 -0.29 0.00 0.00 176.35 175.35 1rgw s VAL 49 N 2.87 4.55 -0.07 1.68 1.01 -0.28 -0.51 120.40 129.64 1rgw s VAL 49 Ca 0.25 1.41 -0.05 0.00 0.00 0.00 0.00 61.98 63.59 1rgw s VAL 49 Cb -0.14 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1rgw s VAL 49 CO 0.18 0.42 -0.10 0.52 0.00 0.00 0.00 175.10 176.12 1rgw n VAL 50 N 1.33 0.63 -4.16 2.92 0.31 0.11 -4.68 118.33 114.79 1rgw n VAL 50 Ca -0.06 0.37 -0.14 0.00 -0.01 0.00 0.00 64.34 64.50 1rgw n VAL 50 Cb 0.50 -1.89 -0.11 0.00 -0.91 0.00 0.00 33.84 31.44 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 -2.91 1.01 -0.08 3.52 0.00 -0.25 -0.89 121.76 122.17 1rgw s ALA 51 Ca -0.08 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1rgw s ALA 51 Cb 0.01 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1rgw s ALA 51 CO 0.12 -0.04 -0.09 -1.50 0.00 0.00 0.00 175.76 174.25 1rgw s ILE 52 N -2.28 1.00 0.00 0.00 -1.16 -0.01 -1.50 121.20 117.26 1rgw s ILE 52 Ca 0.03 -0.36 0.00 0.00 -0.51 0.00 0.00 60.65 59.81 1rgw s ILE 52 Cb -0.04 -0.96 0.00 0.00 0.61 0.00 0.00 42.46 42.07 1rgw s ILE 52 CO -0.00 0.34 0.00 -0.67 -2.81 0.00 0.00 174.94 171.80 1rgw n ASP 53 N 4.21 -1.71 0.00 4.50 2.03 -0.07 -0.41 116.55 125.11 1rgw n ASP 53 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1rgw n ASP 53 Cb 0.51 -2.19 0.00 0.00 -0.72 0.00 0.00 41.12 38.73 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 -1.34 0.90 3.40 0.27 0.00 -1.26 -4.95 105.19 102.21 1rgw n GLY 54 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.09 0.23 1.61 1.01 0.45 -5.02 120.40 119.77 1rgw s VAL 55 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1rgw s VAL 55 Cb 0.00 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 1rgw s VAL 55 CO 0.00 0.54 1.02 0.54 0.00 0.00 0.00 175.10 177.19 1rgw s ASN 56 N 0.15 7.46 -0.27 3.32 4.22 -1.26 -0.83 114.94 127.72 1rgw s ASN 56 Ca -0.07 2.05 -0.00 0.00 -2.14 0.00 0.00 52.86 52.70 1rgw s ASN 56 Cb -0.15 -2.61 0.23 0.00 1.28 0.00 0.00 41.25 40.00 1rgw s ASN 56 CO 0.05 -0.02 1.86 0.35 -2.04 0.00 0.00 177.10 177.30 1rgw n THR 57 N 1.69 2.53 -0.11 0.54 -2.24 -0.07 -4.67 114.28 111.95 1rgw n THR 57 Ca -0.01 -1.39 -0.05 0.00 -2.27 0.00 0.00 64.05 60.34 1rgw n THR 57 Cb 0.46 -1.19 0.02 0.00 -2.10 0.00 0.00 70.33 67.52 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 -0.17 -0.15 3.42 3.58 -1.92 -2.79 116.42 119.57 1rgw h ASP 58 Ca 0.28 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.82 1rgw h ASP 58 Cb 1.16 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1rgw h ASP 58 CO 0.66 -0.05 0.00 1.07 -2.88 0.00 0.00 179.24 178.04 1rgw n THR 59 N -5.20 2.05 -3.34 2.25 5.66 -1.26 -4.95 114.28 109.49 1rgw n THR 59 Ca 0.02 -1.99 -0.38 0.00 -3.05 0.00 0.00 64.05 58.65 1rgw n THR 59 Cb 0.20 -0.20 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 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 -2.74 4.10 0.61 1.09 -1.94 -1.06 -5.05 119.30 114.32 1rgw s MET 60 Ca 0.36 0.63 0.04 0.00 -1.71 0.00 0.00 55.69 55.01 1rgw s MET 60 Cb 0.30 -3.18 0.09 0.00 2.01 0.00 0.00 34.83 34.04 1rgw s MET 60 CO 0.06 0.62 0.85 0.95 -0.01 0.00 0.00 175.02 177.49 1rgw s THR 61 N -1.16 2.31 0.25 2.05 -4.23 -1.26 -4.30 115.64 109.29 1rgw s THR 61 Ca 0.29 -0.79 -0.05 0.00 -1.18 0.00 0.00 61.69 59.97 1rgw s THR 61 Cb -0.18 -2.52 0.23 0.00 1.34 0.00 0.00 72.50 71.37 1rgw s THR 61 CO 0.18 0.00 1.87 1.12 -0.54 0.00 0.00 174.62 177.24 1rgw h HIS 62 N -0.07 1.07 -0.27 3.99 2.07 -1.93 -0.60 115.15 119.40 1rgw h HIS 62 Ca -0.35 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.19 1rgw h HIS 62 Cb 1.28 -0.35 -0.01 0.00 2.57 0.00 0.00 27.41 30.90 1rgw h HIS 62 CO 0.17 0.55 0.13 1.25 -3.07 0.00 0.00 177.93 176.96 1rgw h LEU 63 N 1.06 0.36 -0.01 6.12 5.85 -1.95 -1.73 115.31 125.01 1rgw h LEU 63 Ca 0.39 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1rgw h LEU 63 Cb 0.15 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1rgw h LEU 63 CO -0.17 0.39 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.91 1rgw h GLU 64 N 0.30 -0.14 -0.91 1.25 5.08 -1.83 -0.98 114.58 117.36 1rgw h GLU 64 Ca 0.09 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1rgw h GLU 64 Cb 0.13 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1rgw h GLU 64 CO -0.01 -0.09 0.54 0.00 -1.00 0.00 0.00 179.01 178.44 1rgw h ALA 65 N 0.84 1.24 -0.37 3.43 0.00 -1.10 0.19 119.26 123.49 1rgw h ALA 65 Ca 0.04 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1rgw h ALA 65 Cb 0.19 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1rgw h ALA 65 CO -0.09 0.65 0.06 0.37 0.00 0.00 0.00 179.25 180.23 1rgw h GLN 66 N 1.26 0.17 -0.03 0.00 5.75 -1.19 0.37 115.11 121.44 1rgw h GLN 66 Ca 0.32 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.74 1rgw h GLN 66 Cb -0.04 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1rgw h GLN 66 CO -0.06 0.11 -0.32 -0.91 -2.65 0.00 0.00 178.83 175.00 1rgw h ASN 67 N 0.18 0.06 -0.09 -0.69 2.35 -0.31 -0.56 115.58 116.52 1rgw h ASN 67 Ca 0.18 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1rgw h ASN 67 Cb 0.22 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1rgw h ASN 67 CO -0.25 0.38 -0.16 0.11 -1.65 0.00 0.00 177.43 175.87 1rgw h LYS 68 N 0.05 0.27 -0.63 0.81 1.79 -0.32 -3.20 116.57 115.34 1rgw h LYS 68 Ca 0.01 -0.17 0.13 0.00 -2.18 0.00 0.00 60.65 58.44 1rgw h LYS 68 Cb 0.60 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 31.16 1rgw h LYS 68 CO 0.04 0.74 0.02 0.82 -1.08 0.00 0.00 179.45 180.00 1rgw h ILE 69 N -0.18 0.49 0.00 1.86 2.04 -0.72 -1.89 117.51 119.11 1rgw h ILE 69 Ca 0.01 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1rgw h ILE 69 Cb 0.72 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1rgw h ILE 69 CO 0.04 0.02 0.00 0.29 0.00 0.00 0.00 178.15 178.50 1rgw n LYS 70 N -5.27 0.41 0.05 2.37 4.01 -0.24 -2.68 118.16 116.83 1rgw n LYS 70 Ca 0.10 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 58.01 1rgw n LYS 70 Cb 0.37 -1.31 -0.00 0.00 -0.51 0.00 0.00 35.03 33.58 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 -0.81 0.60 -4.70 4.39 7.64 -0.71 -4.97 113.62 115.08 1rgw n SER 71 Ca 0.06 0.04 -0.25 0.00 1.01 0.00 0.00 58.87 59.73 1rgw n SER 71 Cb 0.03 0.81 -0.07 0.00 -1.01 0.00 0.00 64.21 63.97 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 -3.30 3.29 0.09 -0.43 0.00 -1.09 -5.02 121.76 115.29 1rgw s ALA 72 Ca 0.01 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1rgw s ALA 72 Cb 0.13 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1rgw s ALA 72 CO 0.81 0.40 0.00 0.43 0.00 0.00 0.00 175.76 177.40 1rgw n SER 73 N -0.47 -0.37 -0.15 0.00 7.64 -1.26 -4.75 113.62 114.25 1rgw n SER 73 Ca -0.09 0.16 -0.09 0.00 1.01 0.00 0.00 58.87 59.86 1rgw n SER 73 Cb 0.56 0.50 -0.00 0.00 -1.01 0.00 0.00 64.21 64.26 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 0.75 -2.77 1.43 0.05 -1.88 -2.54 116.97 112.01 1rgw h TYR 74 Ca 0.00 -0.09 -0.18 0.00 0.05 0.00 0.00 58.73 58.51 1rgw h TYR 74 Cb 0.00 -0.21 -0.31 0.00 1.01 0.00 0.00 36.73 37.22 1rgw h TYR 74 CO 0.00 0.70 -0.48 0.54 -1.05 0.00 0.00 178.16 177.88 1rgw s ASN 75 N -6.08 0.11 -0.31 3.88 6.03 -1.26 -4.52 114.94 112.79 1rgw s ASN 75 Ca -0.13 0.71 -0.08 0.00 -1.03 0.00 0.00 52.86 52.33 1rgw s ASN 75 Cb 0.11 0.85 0.01 0.00 -3.03 0.00 0.00 41.25 39.18 1rgw s ASN 75 CO 0.78 -0.23 0.10 -0.22 -2.03 0.00 0.00 177.10 175.50 1rgw s LEU 76 N 2.34 3.99 -0.34 3.54 2.96 0.53 -4.90 118.68 126.80 1rgw s LEU 76 Ca -0.01 -0.73 -0.14 0.00 -0.22 0.00 0.00 54.13 53.03 1rgw s LEU 76 Cb -0.12 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1rgw s LEU 76 CO -0.10 -0.22 0.29 -0.55 -1.32 0.00 0.00 176.35 174.46 1rgw s SER 77 N 1.51 6.11 -0.04 3.68 0.15 -1.26 -0.21 113.70 123.65 1rgw s SER 77 Ca 0.03 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.38 1rgw s SER 77 Cb -0.17 -2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 1rgw s SER 77 CO 0.03 -0.28 -0.19 -0.76 1.20 0.00 0.00 173.24 173.24 1rgw s LEU 78 N 1.85 2.48 -0.12 3.45 2.01 -0.86 -0.89 118.68 126.60 1rgw s LEU 78 Ca 0.09 -0.30 -0.01 0.00 0.01 0.00 0.00 54.13 53.91 1rgw s LEU 78 Cb -0.17 -1.48 0.04 0.00 0.01 0.00 0.00 46.19 44.59 1rgw s LEU 78 CO 0.11 0.33 -0.02 -0.89 1.01 0.00 0.00 176.35 176.89 1rgw s THR 79 N -0.66 0.70 0.11 5.49 2.01 -0.56 -1.84 115.64 120.89 1rgw s THR 79 Ca 0.10 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.89 1rgw s THR 79 Cb -0.11 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1rgw s THR 79 CO 0.00 0.18 -0.08 -1.48 -0.69 0.00 0.00 174.62 172.55 1rgw s LEU 80 N 1.82 2.50 -0.20 4.42 2.34 -1.04 0.09 118.68 128.61 1rgw s LEU 80 Ca 0.03 -0.97 -0.21 0.00 0.06 0.00 0.00 54.13 53.04 1rgw s LEU 80 Cb -0.14 -0.18 -0.02 0.00 -0.56 0.00 0.00 46.19 45.29 1rgw s LEU 80 CO -0.07 -0.39 0.66 -1.10 -1.06 0.00 0.00 176.35 174.39 1rgw s GLN 81 N -3.62 4.21 -0.39 1.48 -0.21 0.33 -2.00 119.66 119.47 1rgw s GLN 81 Ca 0.12 0.68 -0.21 0.00 0.02 0.00 0.00 55.36 55.96 1rgw s GLN 81 Cb 0.03 -3.59 0.01 0.00 1.00 0.00 0.00 33.01 30.47 1rgw s GLN 81 CO -0.02 -0.28 0.69 0.21 -2.12 0.00 0.00 175.29 173.77 1rgw s LYS 82 N 2.04 3.57 0.02 2.91 2.47 -1.08 -3.98 119.74 125.69 1rgw s LYS 82 Ca 0.30 -0.01 -0.26 0.00 -1.56 0.00 0.00 55.97 54.44 1rgw s LYS 82 Cb -0.16 -3.86 -0.05 0.00 -1.46 0.00 0.00 37.83 32.30 1rgw s LYS 82 CO 0.10 -0.88 0.81 -1.12 0.16 0.00 0.00 175.35 174.42 1rgw s SER 83 N 1.90 7.22 -0.38 1.43 0.01 -1.26 -4.90 113.70 117.74 1rgw s SER 83 Ca 0.26 1.47 -0.28 0.00 1.31 0.00 0.00 55.95 58.71 1rgw s SER 83 Cb -0.14 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.63 1rgw s SER 83 CO 0.17 -0.06 1.05 -0.75 0.41 0.00 0.00 173.24 174.07 1rgw s LYS 84 N 0.27 3.91 0.00 12.44 2.36 -1.26 -5.15 119.74 132.31 1rgw s LYS 84 Ca 0.41 0.80 0.00 0.00 -2.55 0.00 0.00 55.97 54.63 1rgw s LYS 84 Cb -0.20 -3.80 0.00 0.00 -1.05 0.00 0.00 37.83 32.78 1rgw s LYS 84 CO 0.24 -1.04 0.00 -2.13 1.55 0.00 0.00 175.35 173.96