#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 -0.12 0.09 3.04 0.00 -1.26 -0.73 121.76 122.77 1rgw s ALA 2 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.04 1rgw s ALA 2 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1rgw s ALA 2 CO 0.00 -0.06 0.09 1.52 0.00 0.00 0.00 175.76 177.31 1rgw s TYR 3 N -0.26 3.19 -0.04 0.00 1.13 0.30 -4.88 117.35 116.79 1rgw s TYR 3 Ca -0.03 0.07 0.06 0.00 -1.41 0.00 0.00 57.07 55.76 1rgw s TYR 3 Cb -0.02 -1.61 -0.01 0.00 -1.10 0.00 0.00 41.96 39.22 1rgw s TYR 3 CO 0.00 0.52 -0.22 -1.54 -2.51 0.00 0.00 175.55 171.80 1rgw s SER 4 N -2.46 2.67 -0.11 -0.18 1.04 -1.26 -2.28 113.70 111.12 1rgw s SER 4 Ca 0.29 -0.43 -0.09 0.00 0.48 0.00 0.00 55.95 56.20 1rgw s SER 4 Cb -0.12 -0.56 0.03 0.00 0.10 0.00 0.00 66.02 65.47 1rgw s SER 4 CO 0.22 0.24 0.29 0.54 0.98 0.00 0.00 173.24 175.51 1rgw s VAL 5 N -0.26 -0.01 -0.25 5.02 0.11 -0.97 -5.02 120.40 119.02 1rgw s VAL 5 Ca 0.01 0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.02 1rgw s VAL 5 Cb -0.11 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 1rgw s VAL 5 CO 0.01 0.01 0.04 -0.89 -3.33 0.00 0.00 175.10 170.94 1rgw s THR 6 N 0.34 3.95 -0.05 5.04 2.01 -1.26 -1.51 115.64 124.16 1rgw s THR 6 Ca -0.02 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.57 1rgw s THR 6 Cb -0.03 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1rgw s THR 6 CO -0.01 0.31 0.16 -0.22 -0.69 0.00 0.00 174.62 174.16 1rgw s LEU 7 N 1.55 4.33 0.18 4.42 2.96 0.27 -4.85 118.68 127.54 1rgw s LEU 7 Ca 0.05 0.38 0.09 0.00 -0.22 0.00 0.00 54.13 54.43 1rgw s LEU 7 Cb -0.15 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1rgw s LEU 7 CO 0.01 0.32 -0.18 0.28 -1.32 0.00 0.00 176.35 175.46 1rgw s THR 8 N -1.19 1.90 0.00 3.68 -1.32 -1.26 -0.06 115.64 117.38 1rgw s THR 8 Ca 0.22 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.68 1rgw s THR 8 Cb -0.12 -1.94 0.00 0.00 -1.51 0.00 0.00 72.50 68.93 1rgw s THR 8 CO 0.12 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1rgw n GLY 9 N 0.09 -0.42 0.13 6.08 0.00 -0.46 -5.03 105.19 105.57 1rgw n GLY 9 Ca -0.11 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 0.29 0.00 1.61 0.13 -1.97 -3.40 132.00 128.66 1rgw h PRO 10 Ca 0.00 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1rgw h PRO 10 Cb 0.00 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1rgw h PRO 10 CO 0.00 1.17 0.00 0.41 -0.23 0.00 0.00 178.00 179.35 1rgw n GLY 11 N 1.80 3.31 3.72 1.56 0.00 -1.26 -4.98 105.19 109.34 1rgw n GLY 11 Ca -0.23 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 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 1.63 -3.43 1.61 -0.02 -1.26 -4.98 135.00 128.55 1rgw n PRO 12 Ca 0.00 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.68 1rgw n PRO 12 Cb 0.00 -2.51 -0.09 0.00 -0.02 0.00 0.00 33.50 30.88 1rgw n PRO 12 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1rgw s TRP 13 N -1.30 3.23 -1.30 6.00 0.52 -1.26 -4.87 118.94 119.95 1rgw s TRP 13 Ca 0.71 0.18 -0.15 0.00 0.02 0.00 0.00 56.10 56.86 1rgw s TRP 13 Cb -0.43 -2.59 0.11 0.00 -1.15 0.00 0.00 33.47 29.42 1rgw s TRP 13 CO 0.50 -0.31 1.76 0.41 0.02 0.00 0.00 176.95 179.34 1rgw n GLY 14 N 4.86 3.52 3.44 0.98 0.00 -1.26 -4.93 105.19 111.80 1rgw n GLY 14 Ca -0.10 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 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 2.62 2.21 -0.18 1.61 -0.71 -1.26 -0.31 117.98 121.97 1rgw s PHE 15 Ca 0.47 -0.37 -0.04 0.00 -1.04 0.00 0.00 56.93 55.96 1rgw s PHE 15 Cb 0.05 -0.99 -0.02 0.00 -1.21 0.00 0.00 43.02 40.85 1rgw s PHE 15 CO 0.01 0.63 -0.03 1.03 -1.34 0.00 0.00 175.22 175.52 1rgw s ARG 16 N -3.37 3.58 -0.22 1.99 1.81 0.37 -4.86 118.95 118.26 1rgw s ARG 16 Ca 0.27 -0.55 -0.10 0.00 -1.72 0.00 0.00 55.73 53.63 1rgw s ARG 16 Cb -0.05 -2.96 -0.05 0.00 -0.45 0.00 0.00 34.95 31.45 1rgw s ARG 16 CO 0.13 0.09 0.13 -0.51 -0.68 0.00 0.00 175.30 174.46 1rgw s LEU 17 N 0.75 4.06 0.35 2.53 1.02 -1.26 -1.62 118.68 124.50 1rgw s LEU 17 Ca -0.01 0.13 0.06 0.00 0.02 0.00 0.00 54.13 54.32 1rgw s LEU 17 Cb -0.14 -2.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.97 1rgw s LEU 17 CO 0.02 0.12 0.23 -1.10 0.02 0.00 0.00 176.35 175.63 1rgw s GLN 18 N 0.74 1.79 3.27 1.70 -0.21 -1.20 -4.94 119.66 120.81 1rgw s GLN 18 Ca 0.07 -2.06 0.00 0.00 0.02 0.00 0.00 55.36 53.39 1rgw s GLN 18 Cb -0.13 0.04 0.00 0.00 1.00 0.00 0.00 33.01 33.92 1rgw s GLN 18 CO 0.02 -0.59 0.00 0.41 -2.12 0.00 0.00 175.29 173.00 1rgw n GLY 19 N -0.70 0.47 0.00 3.09 0.00 -1.26 -3.92 105.19 102.87 1rgw n GLY 19 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 3.15 0.32 -0.02 0.00 -0.70 -4.67 105.19 103.28 1rgw n GLY 20 Ca 0.00 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.25 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 0.19 -1.00 1.61 6.56 -1.74 -0.04 116.57 122.15 1rgw h LYS 21 Ca 0.00 -0.01 0.20 0.00 -1.06 0.00 0.00 60.65 59.78 1rgw h LYS 21 Cb 0.00 -0.04 -0.11 0.00 -0.57 0.00 0.00 32.23 31.51 1rgw h LYS 21 CO 0.00 0.13 0.61 0.22 -2.06 0.00 0.00 179.45 178.35 1rgw h ASP 22 N 0.20 0.74 -0.64 0.86 1.82 -1.88 -1.42 116.42 116.10 1rgw h ASP 22 Ca 0.15 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1rgw h ASP 22 Cb 0.34 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1rgw h ASP 22 CO -0.02 0.25 0.00 0.49 -1.61 0.00 0.00 179.24 178.34 1rgw n PHE 23 N -4.76 0.85 -3.44 0.28 3.72 -0.08 -4.92 117.46 109.10 1rgw n PHE 23 Ca 0.24 -0.43 -0.18 0.00 -0.05 0.00 0.00 57.45 57.03 1rgw n PHE 23 Cb 0.61 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.24 1rgw n PHE 23 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1rgw n ASN 24 N 1.38 -2.82 -4.54 4.37 3.02 -0.54 -4.97 115.26 111.16 1rgw n ASN 24 Ca 0.21 -0.60 -0.25 0.00 -0.03 0.00 0.00 54.58 53.91 1rgw n ASN 24 Cb 0.54 -5.05 -0.11 0.00 -0.61 0.00 0.00 39.78 34.55 1rgw n ASN 24 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1rgw s MET 25 N -5.52 1.83 0.85 3.52 -1.94 -0.86 -4.98 119.30 112.20 1rgw s MET 25 Ca 0.11 -2.03 -0.11 0.00 -1.71 0.00 0.00 55.69 51.95 1rgw s MET 25 Cb -0.05 -1.28 0.11 0.00 2.01 0.00 0.00 34.83 35.62 1rgw s MET 25 CO 0.72 -0.13 1.10 -1.25 -0.01 0.00 0.00 175.02 175.46 1rgw s PRO 26 N -3.80 1.58 -0.61 2.03 0.04 -1.26 -3.43 135.00 129.56 1rgw s PRO 26 Ca 0.35 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 1rgw s PRO 26 Cb 0.09 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.84 1rgw s PRO 26 CO 0.17 -2.12 1.26 -1.17 0.04 0.00 0.00 177.00 175.17 1rgw s LEU 27 N -6.23 3.38 -0.01 -3.56 0.20 -1.26 -1.72 118.68 109.49 1rgw s LEU 27 Ca 0.63 0.04 0.03 0.00 0.69 0.00 0.00 54.13 55.53 1rgw s LEU 27 Cb -0.19 -3.03 -0.03 0.00 -0.43 0.00 0.00 46.19 42.51 1rgw s LEU 27 CO 0.57 -1.60 -0.08 0.42 -0.29 0.00 0.00 176.35 175.36 1rgw s THR 28 N 5.36 3.53 0.08 3.68 -4.23 -1.25 -0.45 115.64 122.36 1rgw s THR 28 Ca 0.44 -0.77 0.06 0.00 -1.18 0.00 0.00 61.69 60.24 1rgw s THR 28 Cb -0.08 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1rgw s THR 28 CO 0.23 0.43 -0.10 -0.63 -0.54 0.00 0.00 174.62 174.02 1rgw s ILE 29 N -0.94 3.40 0.00 2.99 1.01 -0.64 -3.27 121.20 123.74 1rgw s ILE 29 Ca 0.16 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1rgw s ILE 29 Cb -0.11 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1rgw s ILE 29 CO 0.06 0.19 0.00 -0.24 0.00 0.00 0.00 174.94 174.95 1rgw n SER 30 N 0.95 0.00 -4.23 3.58 2.88 -0.64 -2.73 113.62 113.44 1rgw n SER 30 Ca -0.14 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.27 1rgw n SER 30 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 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 1.18 0.38 -1.46 0.52 -1.26 -4.48 118.95 113.83 1rgw s ARG 31 Ca 0.00 -1.60 -0.11 0.00 -0.52 0.00 0.00 55.73 53.50 1rgw s ARG 31 Cb 0.00 -0.04 -0.07 0.00 0.52 0.00 0.00 34.95 35.37 1rgw s ARG 31 CO 0.00 -0.26 0.74 0.42 0.02 0.00 0.00 175.30 176.22 1rgw s ILE 32 N -3.88 4.79 0.23 1.52 1.09 -1.26 -0.48 121.20 123.22 1rgw s ILE 32 Ca 0.31 0.61 -0.30 0.00 -1.10 0.00 0.00 60.65 60.18 1rgw s ILE 32 Cb 0.07 -3.71 -0.09 0.00 -1.06 0.00 0.00 42.46 37.67 1rgw s ILE 32 CO 0.08 -0.45 0.95 -0.89 -0.10 0.00 0.00 174.94 174.53 1rgw s THR 33 N -2.29 4.07 -0.29 2.92 2.01 0.58 -4.87 115.64 117.77 1rgw s THR 33 Ca 0.51 2.06 -0.40 0.00 0.31 0.00 0.00 61.69 64.17 1rgw s THR 33 Cb -0.10 -4.31 -0.15 0.00 0.01 0.00 0.00 72.50 67.94 1rgw s THR 33 CO 0.29 0.48 1.79 -2.65 -0.69 0.00 0.00 174.62 173.84 1rgw n PRO 34 N 1.55 1.15 -0.66 4.92 -0.02 -1.26 -2.69 135.00 137.99 1rgw n PRO 34 Ca -0.02 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1rgw n PRO 34 Cb 0.47 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 4.44 1.28 3.87 -1.23 0.00 -1.26 -5.02 105.19 107.27 1rgw n GLY 35 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.15 4.45 0.43 1.61 0.01 -1.10 -4.91 113.70 111.04 1rgw s SER 36 Ca 0.00 0.89 0.09 0.00 1.31 0.00 0.00 55.95 58.24 1rgw s SER 36 Cb 0.00 -1.45 0.95 0.00 0.21 0.00 0.00 66.02 65.72 1rgw s SER 36 CO 0.00 -1.95 2.06 0.50 0.41 0.00 0.00 173.24 174.26 1rgw h LYS 37 N -1.08 0.44 -0.50 12.44 3.64 -1.90 -0.34 116.57 129.26 1rgw h LYS 37 Ca -0.47 -0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.03 1rgw h LYS 37 Cb 1.32 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1rgw h LYS 37 CO 0.65 0.29 0.58 0.00 -2.27 0.00 0.00 179.45 178.69 1rgw h ALA 38 N 1.78 2.23 0.09 5.00 0.00 -1.92 -2.22 119.26 124.22 1rgw h ALA 38 Ca 0.14 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 1rgw h ALA 38 Cb 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1rgw h ALA 38 CO -0.03 -0.84 -1.71 0.00 0.00 0.00 0.00 179.25 176.67 1rgw h ALA 39 N 1.31 0.44 -0.20 0.00 0.00 -1.32 -3.39 119.26 116.11 1rgw h ALA 39 Ca 0.24 -1.28 -0.15 0.00 0.00 0.00 0.00 54.91 53.72 1rgw h ALA 39 Cb 1.39 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1rgw h ALA 39 CO -0.00 1.30 -0.50 1.96 0.00 0.00 0.00 179.25 182.01 1rgw h GLN 40 N 0.05 0.55 0.00 0.00 1.08 -1.39 -3.47 115.11 111.94 1rgw h GLN 40 Ca -0.31 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.57 1rgw h GLN 40 Cb 2.02 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.48 1rgw h GLN 40 CO 0.12 0.92 0.00 -1.13 -0.95 0.00 0.00 178.83 177.79 1rgw n SER 41 N -3.98 0.00 -0.52 1.46 3.41 -1.25 -4.95 113.62 107.78 1rgw n SER 41 Ca -0.03 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.71 1rgw n SER 41 Cb 0.57 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.81 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 1.48 -2.65 4.33 6.02 -1.26 -4.90 117.38 120.39 1rgw n GLN 42 Ca 0.00 -1.04 -0.40 0.00 -0.01 0.00 0.00 57.00 55.54 1rgw n GLN 42 Cb 0.00 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.73 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 -2.24 4.57 -0.43 1.08 2.96 -1.26 -4.89 118.68 118.47 1rgw s LEU 43 Ca 0.28 2.00 0.08 0.00 -0.22 0.00 0.00 54.13 56.28 1rgw s LEU 43 Cb 0.20 -3.61 0.30 0.00 0.50 0.00 0.00 46.19 43.58 1rgw s LEU 43 CO 0.43 -0.01 0.85 -0.24 -1.32 0.00 0.00 176.35 176.06 1rgw n SER 44 N 1.86 -1.06 -4.37 3.68 2.88 -1.26 -4.65 113.62 110.70 1rgw n SER 44 Ca -0.00 -3.24 -0.52 0.00 -1.33 0.00 0.00 58.87 53.78 1rgw n SER 44 Cb 0.47 0.70 -0.12 0.00 -0.75 0.00 0.00 64.21 64.51 1rgw n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rgw n GLN 45 N 0.77 0.24 0.00 -1.46 6.02 -1.26 -4.69 117.38 117.00 1rgw n GLN 45 Ca 0.15 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1rgw n GLN 45 Cb 0.64 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.14 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 6.97 -1.81 0.00 1.08 0.00 -1.26 -4.41 105.19 105.76 1rgw n GLY 46 Ca 0.55 0.73 0.00 0.00 0.00 0.00 0.00 46.02 47.30 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 2.03 -1.10 -4.82 116.55 109.70 1rgw n ASP 47 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 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 3.88 -0.05 -2.67 2.01 -1.26 -1.62 118.68 118.97 1rgw s LEU 48 Ca 0.00 0.07 -0.30 0.00 0.01 0.00 0.00 54.13 53.91 1rgw s LEU 48 Cb 0.00 -3.17 -0.02 0.00 0.01 0.00 0.00 46.19 43.01 1rgw s LEU 48 CO 0.00 -1.19 0.99 -0.69 1.01 0.00 0.00 176.35 176.48 1rgw s VAL 49 N 4.09 4.82 -0.15 -1.59 1.01 0.40 -1.05 120.40 127.94 1rgw s VAL 49 Ca 0.38 2.05 -0.15 0.00 0.00 0.00 0.00 61.98 64.27 1rgw s VAL 49 Cb -0.10 -4.32 -0.12 0.00 0.00 0.00 0.00 36.38 31.85 1rgw s VAL 49 CO 0.26 0.08 0.16 0.58 0.00 0.00 0.00 175.10 176.18 1rgw h VAL 50 N 4.95 0.62 -4.20 2.92 2.07 -0.40 -3.41 116.25 118.81 1rgw h VAL 50 Ca -0.36 -1.61 -0.50 0.00 0.82 0.00 0.00 66.70 65.06 1rgw h VAL 50 Cb 1.18 1.32 -0.29 0.00 -1.52 0.00 0.00 31.29 31.98 1rgw h VAL 50 CO 0.80 0.21 -0.82 0.00 0.02 0.00 0.00 177.57 177.79 1rgw s ALA 51 N -2.48 1.22 -0.11 1.67 0.00 -0.49 -0.94 121.76 120.63 1rgw s ALA 51 Ca -0.16 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1rgw s ALA 51 Cb 0.02 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1rgw s ALA 51 CO 0.37 0.29 -0.15 -1.50 0.00 0.00 0.00 175.76 174.78 1rgw s ILE 52 N -0.31 1.44 -1.56 0.00 2.07 0.54 -1.43 121.20 121.95 1rgw s ILE 52 Ca 0.05 -0.61 0.00 0.00 -1.41 0.00 0.00 60.65 58.68 1rgw s ILE 52 Cb -0.06 -1.32 0.00 0.00 0.13 0.00 0.00 42.46 41.21 1rgw s ILE 52 CO -0.00 0.43 0.00 -0.67 -1.91 0.00 0.00 174.94 172.79 1rgw n ASP 53 N 4.21 -5.28 0.00 4.50 2.03 0.01 -0.53 116.55 121.49 1rgw n ASP 53 Ca -0.19 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1rgw n ASP 53 Cb 0.51 -4.07 0.00 0.00 -0.72 0.00 0.00 41.12 36.84 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 -0.50 0.86 3.54 0.27 0.00 -1.08 -4.77 105.19 103.51 1rgw n GLY 54 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.70 4.55 0.31 1.61 1.01 0.31 -4.95 120.40 120.54 1rgw s VAL 55 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1rgw s VAL 55 Cb 0.00 -3.09 -0.11 0.00 0.00 0.00 0.00 36.38 33.19 1rgw s VAL 55 CO 0.00 0.40 1.46 0.54 0.00 0.00 0.00 175.10 177.50 1rgw s ASN 56 N 1.00 6.53 -0.32 3.32 2.20 -1.26 -0.34 114.94 126.06 1rgw s ASN 56 Ca 0.04 2.84 -0.07 0.00 -0.94 0.00 0.00 52.86 54.73 1rgw s ASN 56 Cb -0.14 -2.64 -0.23 0.00 -2.00 0.00 0.00 41.25 36.24 1rgw s ASN 56 CO 0.03 -0.77 3.42 0.35 -2.94 0.00 0.00 177.10 177.19 1rgw n THR 57 N 1.50 3.18 -0.06 0.54 -2.24 -0.11 -4.44 114.28 112.65 1rgw n THR 57 Ca 0.04 -1.67 -0.08 0.00 -2.27 0.00 0.00 64.05 60.06 1rgw n THR 57 Cb 0.40 -2.11 -0.07 0.00 -2.10 0.00 0.00 70.33 66.44 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 3.49 0.00 -0.23 3.42 3.58 -1.89 -3.39 116.42 121.39 1rgw h ASP 58 Ca 0.32 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1rgw h ASP 58 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1rgw h ASP 58 CO 0.55 0.82 0.00 1.07 -2.88 0.00 0.00 179.24 178.80 1rgw n THR 59 N -4.67 0.36 -2.47 2.25 5.66 -1.26 -4.93 114.28 109.23 1rgw n THR 59 Ca -0.07 -0.68 -0.43 0.00 -3.05 0.00 0.00 64.05 59.82 1rgw n THR 59 Cb 0.29 1.08 -0.02 0.00 -1.55 0.00 0.00 70.33 70.13 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 -1.40 4.27 0.51 1.09 -1.94 -1.26 -4.97 119.30 115.60 1rgw s MET 60 Ca 0.29 1.62 0.08 0.00 -1.71 0.00 0.00 55.69 55.97 1rgw s MET 60 Cb 0.18 -3.69 0.09 0.00 2.01 0.00 0.00 34.83 33.42 1rgw s MET 60 CO 0.26 -0.62 0.70 0.25 -0.01 0.00 0.00 175.02 175.60 1rgw n THR 61 N 5.14 0.00 -0.22 2.05 -2.24 -1.26 -4.29 114.28 113.47 1rgw n THR 61 Ca 0.13 -1.64 0.02 0.00 -2.27 0.00 0.00 64.05 60.28 1rgw n THR 61 Cb 0.45 -0.61 0.13 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.04 0.37 0.01 4.78 2.76 -1.89 -1.33 115.15 119.91 1rgw h HIS 62 Ca -0.24 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.97 1rgw h HIS 62 Cb 1.07 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.97 1rgw h HIS 62 CO 0.00 0.05 -0.01 1.25 -1.30 0.00 0.00 177.93 177.92 1rgw h LEU 63 N 0.37 -0.02 -0.54 0.26 5.85 -1.95 -2.99 115.31 116.29 1rgw h LEU 63 Ca 0.34 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1rgw h LEU 63 Cb 0.49 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1rgw h LEU 63 CO -0.37 0.39 0.32 -0.08 -0.34 0.00 0.00 178.44 178.36 1rgw h GLU 64 N -0.43 0.75 -0.31 1.25 4.81 -1.88 -1.33 114.58 117.44 1rgw h GLU 64 Ca -0.00 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 1rgw h GLU 64 Cb 0.42 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1rgw h GLU 64 CO 0.00 0.56 -0.25 0.00 -0.73 0.00 0.00 179.01 178.59 1rgw h ALA 65 N 1.15 0.99 -0.30 2.92 0.00 -1.38 0.18 119.26 122.82 1rgw h ALA 65 Ca 0.19 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1rgw h ALA 65 Cb 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1rgw h ALA 65 CO -0.03 0.59 -0.04 0.37 0.00 0.00 0.00 179.25 180.14 1rgw h GLN 66 N 0.53 0.04 -0.32 0.00 5.75 -1.35 -2.28 115.11 117.47 1rgw h GLN 66 Ca 0.07 -0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 1rgw h GLN 66 Cb 0.71 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 1rgw h GLN 66 CO 0.05 0.03 -0.20 -0.91 -2.65 0.00 0.00 178.83 175.15 1rgw h ASN 67 N 0.04 0.61 -0.19 -0.69 4.21 -0.69 -2.15 115.58 116.72 1rgw h ASN 67 Ca 0.14 -0.20 -0.03 0.00 1.21 0.00 0.00 56.30 57.42 1rgw h ASN 67 Cb 0.21 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 1rgw h ASN 67 CO -0.28 0.82 -0.00 0.11 -1.29 0.00 0.00 177.43 176.78 1rgw h LYS 68 N 0.54 0.34 -0.74 0.81 1.57 -0.50 -2.00 116.57 116.60 1rgw h LYS 68 Ca 0.08 -0.11 0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1rgw h LYS 68 Cb 0.65 -0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.82 1rgw h LYS 68 CO 0.05 0.55 0.17 0.82 -0.57 0.00 0.00 179.45 180.47 1rgw h ILE 69 N 0.09 0.50 0.00 1.86 2.04 -1.43 -2.48 117.51 118.10 1rgw h ILE 69 Ca 0.05 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1rgw h ILE 69 Cb 0.40 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1rgw h ILE 69 CO 0.01 0.05 0.00 0.29 0.00 0.00 0.00 178.15 178.50 1rgw n LYS 70 N -5.17 0.17 0.00 2.37 4.01 -0.81 -2.39 118.16 116.34 1rgw n LYS 70 Ca 0.14 0.13 0.12 0.00 -0.51 0.00 0.00 58.31 58.19 1rgw n LYS 70 Cb 0.47 -1.50 0.22 0.00 -0.51 0.00 0.00 35.03 33.71 1rgw n LYS 70 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1rgw n SER 71 N -1.37 1.44 -4.79 4.39 2.88 -0.79 -4.93 113.62 110.45 1rgw n SER 71 Ca 0.07 -1.16 -0.29 0.00 -1.33 0.00 0.00 58.87 56.17 1rgw n SER 71 Cb 0.19 0.28 -0.06 0.00 -0.75 0.00 0.00 64.21 63.86 1rgw n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rgw s ALA 72 N -2.49 3.60 0.30 -1.46 0.00 -1.00 -4.94 121.76 115.76 1rgw s ALA 72 Ca 0.22 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1rgw s ALA 72 Cb 0.19 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1rgw s ALA 72 CO 0.54 0.67 0.00 -1.13 0.00 0.00 0.00 175.76 175.84 1rgw n SER 73 N 0.16 -2.55 -0.34 0.00 3.41 -1.26 -4.93 113.62 108.11 1rgw n SER 73 Ca -0.08 0.57 0.02 0.00 -0.26 0.00 0.00 58.87 59.11 1rgw n SER 73 Cb 0.53 2.55 0.16 0.00 -0.26 0.00 0.00 64.21 67.18 1rgw n SER 73 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1rgw h TYR 74 N 0.00 1.08 -2.31 7.33 -0.00 -1.89 -1.21 116.97 119.97 1rgw h TYR 74 Ca 0.00 0.03 -0.07 0.00 -0.00 0.00 0.00 58.73 58.69 1rgw h TYR 74 Cb 0.00 -0.35 -0.22 0.00 -0.00 0.00 0.00 36.73 36.15 1rgw h TYR 74 CO 0.00 0.55 -0.03 0.54 -0.00 0.00 0.00 178.16 179.22 1rgw s ASN 75 N -5.83 -0.63 -0.33 0.10 4.22 -1.26 -4.70 114.94 106.52 1rgw s ASN 75 Ca -0.13 1.20 0.00 0.00 -2.14 0.00 0.00 52.86 51.79 1rgw s ASN 75 Cb 0.19 1.20 0.10 0.00 1.28 0.00 0.00 41.25 44.03 1rgw s ASN 75 CO 0.80 -0.21 0.11 -0.22 -2.04 0.00 0.00 177.10 175.54 1rgw s LEU 76 N 0.41 2.69 -0.29 3.54 2.96 0.91 -4.76 118.68 124.14 1rgw s LEU 76 Ca -0.01 -1.85 -0.19 0.00 -0.22 0.00 0.00 54.13 51.85 1rgw s LEU 76 Cb -0.04 -1.01 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 1rgw s LEU 76 CO -0.01 -0.39 0.59 -0.55 -1.32 0.00 0.00 176.35 174.67 1rgw s SER 77 N 1.34 6.48 0.09 3.68 0.15 -1.26 -0.57 113.70 123.61 1rgw s SER 77 Ca 0.11 0.46 0.05 0.00 0.70 0.00 0.00 55.95 57.28 1rgw s SER 77 Cb -0.18 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1rgw s SER 77 CO -0.19 -0.41 -0.02 -0.76 1.20 0.00 0.00 173.24 173.06 1rgw s LEU 78 N 2.49 3.39 -0.14 3.45 2.01 -0.57 -0.81 118.68 128.50 1rgw s LEU 78 Ca 0.24 -0.22 -0.03 0.00 0.01 0.00 0.00 54.13 54.13 1rgw s LEU 78 Cb -0.15 -2.13 0.05 0.00 0.01 0.00 0.00 46.19 43.97 1rgw s LEU 78 CO 0.11 0.17 0.05 -0.89 1.01 0.00 0.00 176.35 176.80 1rgw s THR 79 N -1.30 0.25 0.24 5.49 2.01 -0.51 -2.29 115.64 119.53 1rgw s THR 79 Ca 0.25 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.08 1rgw s THR 79 Cb -0.12 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1rgw s THR 79 CO 0.18 -0.08 0.06 -1.48 -0.69 0.00 0.00 174.62 172.60 1rgw s LEU 80 N 2.00 1.85 0.63 4.42 2.34 -0.97 0.37 118.68 129.31 1rgw s LEU 80 Ca 0.02 -1.32 -0.14 0.00 0.06 0.00 0.00 54.13 52.76 1rgw s LEU 80 Cb -0.15 -0.06 -0.02 0.00 -0.56 0.00 0.00 46.19 45.40 1rgw s LEU 80 CO -0.07 -0.66 1.05 -1.10 -1.06 0.00 0.00 176.35 174.51 1rgw s GLN 81 N -3.98 3.23 -0.82 1.48 -0.21 -0.22 -0.54 119.66 118.60 1rgw s GLN 81 Ca 0.33 1.07 -0.26 0.00 0.02 0.00 0.00 55.36 56.52 1rgw s GLN 81 Cb 0.07 -2.03 0.03 0.00 1.00 0.00 0.00 33.01 32.09 1rgw s GLN 81 CO 0.11 -0.87 1.39 0.21 -2.12 0.00 0.00 175.29 174.01 1rgw s LYS 82 N -4.51 3.26 0.72 2.91 2.47 0.09 -4.67 119.74 120.01 1rgw s LYS 82 Ca 0.61 -0.46 -0.12 0.00 -1.56 0.00 0.00 55.97 54.44 1rgw s LYS 82 Cb -0.14 -4.58 0.18 0.00 -1.46 0.00 0.00 37.83 31.82 1rgw s LYS 82 CO 0.44 -2.25 0.60 0.45 0.16 0.00 0.00 175.35 174.76 1rgw n SER 83 N 9.60 -1.93 -4.59 1.43 2.88 -1.26 -4.94 113.62 114.81 1rgw n SER 83 Ca 0.15 -0.81 -0.42 0.00 -1.33 0.00 0.00 58.87 56.46 1rgw n SER 83 Cb 0.50 -0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 63.33 1rgw n SER 83 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1rgw s LYS 84 N -4.37 3.81 0.00 -1.46 1.02 -1.26 -5.21 119.74 112.26 1rgw s LYS 84 Ca 0.40 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.67 1rgw s LYS 84 Cb -0.04 -3.77 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 1rgw s LYS 84 CO 0.31 -0.71 0.00 -2.13 -0.92 0.00 0.00 175.35 171.90