#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oxq n SER 0 N 0.00 5.96 0.24 1.61 3.41 -1.26 -4.30 113.62 119.29 2oxq n SER 0 Ca 0.00 -2.81 0.07 0.00 -0.26 0.00 0.00 58.87 55.88 2oxq n SER 0 Cb 0.00 -1.15 0.58 0.00 -0.26 0.00 0.00 64.21 63.38 2oxq n SER 0 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 2oxq h MET 1 N 1.74 0.00 -0.28 4.33 4.05 -1.94 -2.39 114.93 120.44 2oxq h MET 1 Ca 0.20 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.68 2oxq h MET 1 Cb 0.99 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.74 2oxq h MET 1 CO 0.47 0.12 -0.07 0.00 0.23 0.00 0.00 176.91 177.67 2oxq h ALA 2 N 1.88 0.18 -0.45 0.39 0.00 -1.75 0.25 119.26 119.76 2oxq h ALA 2 Ca -0.00 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2oxq h ALA 2 Cb 0.23 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2oxq h ALA 2 CO 0.02 -0.47 0.27 1.25 0.00 0.00 0.00 179.25 180.32 2oxq h LEU 3 N -0.00 0.44 -0.80 0.00 7.12 -1.77 0.34 115.31 120.64 2oxq h LEU 3 Ca 0.13 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.12 2oxq h LEU 3 Cb 0.20 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.20 2oxq h LEU 3 CO -0.28 0.31 0.42 0.50 -0.13 0.00 0.00 178.44 179.27 2oxq h LYS 4 N 0.54 1.12 -0.15 1.25 3.64 -1.25 0.24 116.57 121.96 2oxq h LYS 4 Ca 0.18 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2oxq h LYS 4 Cb -0.00 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 2oxq h LYS 4 CO -0.07 0.84 0.02 -0.09 -2.27 0.00 0.00 179.45 177.87 2oxq h ARG 5 N 1.11 0.25 -0.90 1.90 9.65 0.02 -2.20 114.38 124.22 2oxq h ARG 5 Ca 0.28 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.08 2oxq h ARG 5 Cb 0.05 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 2oxq h ARG 5 CO -0.04 0.44 0.52 0.82 2.80 0.00 0.00 179.97 184.51 2oxq h ILE 6 N 0.02 1.25 -0.73 1.20 2.04 -0.07 0.03 117.51 121.26 2oxq h ILE 6 Ca 0.04 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 2oxq h ILE 6 Cb 0.32 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 2oxq h ILE 6 CO 0.00 0.27 0.43 1.56 0.00 0.00 0.00 178.15 180.42 2oxq h GLN 7 N 1.25 0.99 -0.10 2.37 4.20 -0.82 -1.02 115.11 121.98 2oxq h GLN 7 Ca 0.32 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 2oxq h GLN 7 Cb -0.02 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 2oxq h GLN 7 CO -0.06 0.71 0.00 -0.22 -0.67 0.00 0.00 178.83 178.59 2oxq h LYS 8 N 0.99 0.18 -0.47 1.46 1.63 -0.89 -2.21 116.57 117.26 2oxq h LYS 8 Ca 0.26 -0.06 0.09 0.00 -0.85 0.00 0.00 60.65 60.09 2oxq h LYS 8 Cb -0.02 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 31.52 2oxq h LYS 8 CO -0.05 0.43 0.04 0.93 -3.45 0.00 0.00 179.45 177.35 2oxq h GLU 9 N -0.10 0.16 -0.80 1.90 5.08 -0.74 -0.73 114.58 119.35 2oxq h GLU 9 Ca 0.03 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 2oxq h GLU 9 Cb 0.35 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.49 2oxq h GLU 9 CO 0.00 0.11 0.44 1.25 -1.00 0.00 0.00 179.01 179.81 2oxq h LEU 10 N 0.17 0.60 -0.02 1.33 5.85 -1.11 0.19 115.31 122.33 2oxq h LEU 10 Ca 0.24 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.04 2oxq h LEU 10 Cb 0.34 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2oxq h LEU 10 CO -0.35 0.33 -0.20 1.56 -0.34 0.00 0.00 178.44 179.43 2oxq h GLN 11 N 0.72 -0.31 0.51 1.25 4.20 -0.51 0.25 115.11 121.23 2oxq h GLN 11 Ca 0.39 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.10 2oxq h GLN 11 Cb 0.40 0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.26 2oxq h GLN 11 CO -0.27 -0.20 -0.25 -0.44 -0.67 0.00 0.00 178.83 177.00 2oxq h ASP 12 N -0.32 -0.58 -0.82 1.46 3.32 -0.58 -2.36 116.42 116.54 2oxq h ASP 12 Ca 0.06 -0.05 0.19 0.00 0.02 0.00 0.00 57.03 57.25 2oxq h ASP 12 Cb 0.41 0.15 -0.12 0.00 0.22 0.00 0.00 39.33 39.99 2oxq h ASP 12 CO -0.20 -0.29 0.29 0.25 -1.72 0.00 0.00 179.24 177.57 2oxq h LEU 13 N -0.88 0.19 -0.46 1.55 7.12 -0.57 -0.89 115.31 121.38 2oxq h LEU 13 Ca -0.07 0.15 -0.03 0.00 0.13 0.00 0.00 57.88 58.06 2oxq h LEU 13 Cb 0.60 0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.88 2oxq h LEU 13 CO 0.12 -0.01 -0.15 1.56 -0.13 0.00 0.00 178.44 179.83 2oxq h GLN 14 N 0.35 0.00 0.00 1.25 4.20 -0.90 -0.60 115.11 119.42 2oxq h GLN 14 Ca 0.49 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.16 2oxq h GLN 14 Cb 0.88 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2oxq h GLN 14 CO -0.52 0.15 -0.75 0.00 -0.67 0.00 0.00 178.83 177.05 2oxq h ARG 15 N 0.00 0.00 -1.68 1.46 3.08 -0.65 -3.40 114.38 113.19 2oxq h ARG 15 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 2oxq h ARG 15 Cb 0.96 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.74 2oxq h ARG 15 CO 0.02 0.10 -0.72 -0.51 -1.07 0.00 0.00 179.97 177.79 2oxq s ASP 16 N -5.76 0.06 0.41 7.04 1.11 -0.54 -5.10 116.67 113.88 2oxq s ASP 16 Ca 0.02 -2.24 -0.23 0.00 0.18 0.00 0.00 52.55 50.28 2oxq s ASP 16 Cb 0.08 0.77 -0.10 0.00 1.07 0.00 0.00 42.92 44.74 2oxq s ASP 16 CO 0.76 -0.13 1.00 -2.84 1.18 0.00 0.00 175.17 175.14 2oxq s PRO 17 N 0.64 4.19 0.43 8.23 0.02 -0.24 -4.52 135.00 143.75 2oxq s PRO 17 Ca 0.29 1.36 -0.25 0.00 0.02 0.00 0.00 61.00 62.42 2oxq s PRO 17 Cb -0.01 -2.42 -0.10 0.00 0.02 0.00 0.00 34.50 32.00 2oxq s PRO 17 CO -0.11 -0.09 1.17 -2.30 -0.33 0.00 0.00 177.00 175.34 2oxq n PRO 18 N -0.26 1.67 -1.71 5.54 -0.02 -1.26 -4.84 135.00 134.11 2oxq n PRO 18 Ca 0.06 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 2oxq n PRO 18 Cb 0.51 -2.26 0.01 0.00 -0.02 0.00 0.00 33.50 31.74 2oxq n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oxq n ALA 19 N -0.40 1.45 0.00 3.55 0.00 -1.26 -1.28 120.51 122.57 2oxq n ALA 19 Ca 0.08 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2oxq n ALA 19 Cb 0.40 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2oxq n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2oxq n GLN 20 N 0.16 0.00 -3.50 0.00 1.13 -1.26 -4.97 117.38 108.94 2oxq n GLN 20 Ca 0.06 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.91 2oxq n GLN 20 Cb 0.39 -1.83 -0.03 0.00 0.11 0.00 0.00 30.24 28.89 2oxq n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2oxq s SER 22 N -4.16 -0.62 0.08 0.00 0.15 -0.96 -4.60 113.70 103.60 2oxq s SER 22 Ca 0.49 0.60 -0.26 0.00 0.70 0.00 0.00 55.95 57.48 2oxq s SER 22 Cb -0.04 0.53 0.08 0.00 -1.71 0.00 0.00 66.02 64.88 2oxq s SER 22 CO 0.28 -0.64 0.71 0.00 1.20 0.00 0.00 173.24 174.79 2oxq s ALA 23 N -1.47 -1.69 -0.22 5.45 0.00 -1.26 -1.09 121.76 121.47 2oxq s ALA 23 Ca -0.10 0.76 -0.36 0.00 0.00 0.00 0.00 51.96 52.27 2oxq s ALA 23 Cb -0.00 0.61 0.15 0.00 0.00 0.00 0.00 23.12 23.87 2oxq s ALA 23 CO 0.07 -0.69 1.25 0.20 0.00 0.00 0.00 175.76 176.60 2oxq s GLY 24 N -2.46 -0.25 0.61 0.00 0.00 -0.94 -4.88 107.32 99.40 2oxq s GLY 24 Ca 0.01 1.76 -0.17 0.00 0.00 0.00 0.00 44.72 46.31 2oxq s GLY 24 CO -0.09 0.60 1.14 2.56 0.00 0.00 0.00 173.10 177.31 2oxq s PRO 25 N -2.22 3.00 0.00 2.90 0.04 -1.26 -1.81 135.00 135.65 2oxq s PRO 25 Ca 0.10 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2oxq s PRO 25 Cb -0.01 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2oxq s PRO 25 CO -0.04 -1.12 0.09 0.28 0.04 0.00 0.00 177.00 176.24 2oxq n VAL 26 N -1.87 0.00 0.00 -0.36 0.31 0.11 -4.82 118.33 111.70 2oxq n VAL 26 Ca 0.12 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 2oxq n VAL 26 Cb 0.51 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 2oxq n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2oxq n GLY 27 N 1.94 0.93 0.79 2.92 0.00 -1.26 -4.80 105.19 105.71 2oxq n GLY 27 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2oxq n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2oxq n ASP 28 N 0.00 3.13 -4.46 1.61 8.00 -1.26 -4.86 116.55 118.72 2oxq n ASP 28 Ca 0.00 -3.26 -0.44 0.00 0.71 0.00 0.00 54.79 51.80 2oxq n ASP 28 Cb 0.00 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.53 2oxq n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2oxq s ASP 29 N -2.33 6.66 0.00 -2.24 -1.08 -1.26 -4.84 116.67 111.58 2oxq s ASP 29 Ca 0.41 -2.10 0.09 0.00 -0.52 0.00 0.00 52.55 50.43 2oxq s ASP 29 Cb 0.35 -2.41 0.49 0.00 -1.46 0.00 0.00 42.92 39.89 2oxq s ASP 29 CO 0.05 -1.06 1.04 0.18 0.52 0.00 0.00 175.17 175.89 2oxq n LEU 30 N 6.60 0.00 -0.25 -1.34 4.32 -1.26 -1.05 117.00 124.02 2oxq n LEU 30 Ca 0.26 0.10 0.11 0.00 -0.02 0.00 0.00 56.01 56.46 2oxq n LEU 30 Cb 0.49 -0.10 -0.00 0.00 -1.62 0.00 0.00 43.42 42.18 2oxq n LEU 30 CO 0.52 -0.08 0.21 0.49 -1.22 0.00 0.00 177.39 177.31 2oxq n PHE 31 N -1.10 0.00 -4.00 -1.77 3.01 -1.26 -4.74 117.46 107.60 2oxq n PHE 31 Ca 0.06 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.21 2oxq n PHE 31 Cb 0.04 -0.03 -0.15 0.00 -0.01 0.00 0.00 39.48 39.34 2oxq n PHE 31 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2oxq s HIS 32 N -2.72 3.29 0.32 1.38 2.46 -0.21 -1.11 115.29 118.71 2oxq s HIS 32 Ca 0.14 -2.55 0.09 0.00 0.47 0.00 0.00 55.06 53.21 2oxq s HIS 32 Cb 0.17 -2.37 -0.04 0.00 -0.13 0.00 0.00 32.58 30.21 2oxq s HIS 32 CO 0.69 -0.90 0.08 -1.58 -2.47 0.00 0.00 174.74 170.56 2oxq s TRP 33 N 1.08 2.68 -0.03 3.88 0.52 0.09 0.07 118.94 127.24 2oxq s TRP 33 Ca 0.03 -0.35 0.02 0.00 0.02 0.00 0.00 56.10 55.82 2oxq s TRP 33 Cb -0.19 -1.50 0.01 0.00 -1.15 0.00 0.00 33.47 30.64 2oxq s TRP 33 CO -0.08 0.44 -0.06 -1.14 0.02 0.00 0.00 176.95 176.12 2oxq s GLN 34 N -3.78 0.78 0.07 4.98 0.74 -0.75 -0.94 119.66 120.77 2oxq s GLN 34 Ca 0.35 -0.20 0.05 0.00 0.05 0.00 0.00 55.36 55.61 2oxq s GLN 34 Cb -0.03 -0.76 -0.03 0.00 1.10 0.00 0.00 33.01 33.29 2oxq s GLN 34 CO 0.21 0.05 -0.15 0.00 -0.55 0.00 0.00 175.29 174.85 2oxq s ALA 35 N 0.37 1.24 0.06 1.58 0.00 -0.61 -2.21 121.76 122.20 2oxq s ALA 35 Ca -0.05 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 50.94 2oxq s ALA 35 Cb -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2oxq s ALA 35 CO 0.00 0.19 -0.16 0.95 0.00 0.00 0.00 175.76 176.74 2oxq s THR 36 N -1.26 1.30 -0.03 0.00 -4.23 -0.25 -0.61 115.64 110.56 2oxq s THR 36 Ca -0.01 -1.22 0.03 0.00 -1.18 0.00 0.00 61.69 59.31 2oxq s THR 36 Cb -0.10 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.55 2oxq s THR 36 CO 0.02 -0.05 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.32 2oxq s ILE 37 N -1.02 0.91 -0.26 2.99 1.01 0.16 -2.27 121.20 122.70 2oxq s ILE 37 Ca 0.02 -0.43 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 2oxq s ILE 37 Cb -0.09 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 2oxq s ILE 37 CO 0.02 0.28 0.61 -0.04 0.00 0.00 0.00 174.94 175.81 2oxq s MET 38 N 0.15 4.06 -0.16 2.79 -1.94 -0.90 -0.13 119.30 123.17 2oxq s MET 38 Ca -0.03 0.46 -0.42 0.00 -1.71 0.00 0.00 55.69 53.99 2oxq s MET 38 Cb -0.09 -3.66 -0.20 0.00 2.01 0.00 0.00 34.83 32.89 2oxq s MET 38 CO 0.01 -0.43 1.27 0.41 -0.01 0.00 0.00 175.02 176.27 2oxq n GLY 39 N 4.25 -0.06 3.57 -0.03 0.00 -0.12 -4.91 105.19 107.88 2oxq n GLY 39 Ca -0.01 0.84 -0.29 0.00 0.00 0.00 0.00 46.02 46.56 2oxq n GLY 39 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2oxq s PRO 40 N 1.08 -0.89 0.00 1.61 0.02 -1.26 -3.69 135.00 131.87 2oxq s PRO 40 Ca 0.95 0.28 0.24 0.00 0.02 0.00 0.00 61.00 62.49 2oxq s PRO 40 Cb -1.32 -1.60 0.31 0.00 0.02 0.00 0.00 34.50 31.91 2oxq s PRO 40 CO 0.65 -3.56 1.28 0.43 -0.33 0.00 0.00 177.00 175.47 2oxq n SER 41 N -4.72 1.13 -0.02 2.53 7.64 -1.26 -2.53 113.62 116.40 2oxq n SER 41 Ca 0.09 -0.91 -0.06 0.00 1.01 0.00 0.00 58.87 59.00 2oxq n SER 41 Cb 0.58 0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 64.18 2oxq n SER 41 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2oxq n ASP 42 N -0.88 1.21 -0.03 6.43 8.00 -1.26 -4.93 116.55 125.09 2oxq n ASP 42 Ca 0.08 0.18 -0.00 0.00 0.71 0.00 0.00 54.79 55.76 2oxq n ASP 42 Cb 0.37 -0.43 -0.00 0.00 -0.02 0.00 0.00 41.12 41.04 2oxq n ASP 42 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2oxq n SER 43 N -3.74 -0.01 0.00 -2.24 3.41 -1.26 -4.72 113.62 105.06 2oxq n SER 43 Ca -0.10 0.01 0.06 0.00 -0.26 0.00 0.00 58.87 58.58 2oxq n SER 43 Cb 0.33 -0.01 0.35 0.00 -0.26 0.00 0.00 64.21 64.62 2oxq n SER 43 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2oxq n PRO 44 N 0.01 0.35 0.06 4.33 -0.04 -1.26 -1.96 135.00 136.49 2oxq n PRO 44 Ca 0.00 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 2oxq n PRO 44 Cb 0.00 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.23 2oxq n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2oxq n TYR 45 N -1.04 0.58 -1.38 0.54 4.01 -1.26 -3.45 117.16 115.15 2oxq n TYR 45 Ca 0.09 0.17 -0.49 0.00 -0.16 0.00 0.00 57.90 57.50 2oxq n TYR 45 Cb 0.05 -0.69 -0.04 0.00 -0.31 0.00 0.00 39.34 38.35 2oxq n TYR 45 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2oxq n GLN 46 N -2.06 0.00 -0.39 -0.72 7.27 -0.83 -1.30 117.38 119.34 2oxq n GLN 46 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 2oxq n GLN 46 Cb 0.42 -1.07 0.00 0.00 2.41 0.00 0.00 30.24 32.00 2oxq n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2oxq n GLY 47 N 1.85 1.82 3.96 1.69 0.00 -1.24 -4.94 105.19 108.33 2oxq n GLY 47 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 2oxq n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oxq s GLY 48 N -1.93 1.24 -0.22 -0.02 0.00 -0.42 -4.81 107.32 101.15 2oxq s GLY 48 Ca 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.59 2oxq s GLY 48 CO 0.00 -1.15 -0.14 0.14 0.00 0.00 0.00 173.10 171.95 2oxq s VAL 49 N -2.07 2.04 -0.13 1.40 1.01 -0.37 -0.95 120.40 121.34 2oxq s VAL 49 Ca 0.36 -1.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 2oxq s VAL 49 Cb -0.09 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2oxq s VAL 49 CO 0.31 0.21 0.05 -0.36 0.00 0.00 0.00 175.10 175.31 2oxq s PHE 50 N 1.22 3.29 -0.10 5.22 0.08 0.81 -4.74 117.98 123.76 2oxq s PHE 50 Ca -0.03 0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.25 2oxq s PHE 50 Cb -0.17 -1.93 -0.02 0.00 -0.57 0.00 0.00 43.02 40.33 2oxq s PHE 50 CO -0.08 0.41 -0.13 -0.06 -0.10 0.00 0.00 175.22 175.26 2oxq s PHE 51 N -0.43 2.80 0.12 0.36 0.08 -1.26 0.36 117.98 120.00 2oxq s PHE 51 Ca 0.09 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.76 2oxq s PHE 51 Cb -0.12 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 2oxq s PHE 51 CO 0.02 -0.04 -0.11 -0.48 -0.10 0.00 0.00 175.22 174.50 2oxq s LEU 52 N -0.06 2.45 -0.10 -0.37 2.34 0.21 0.13 118.68 123.29 2oxq s LEU 52 Ca -0.02 -0.88 -0.00 0.00 0.06 0.00 0.00 54.13 53.29 2oxq s LEU 52 Cb -0.14 -0.38 -0.02 0.00 -0.56 0.00 0.00 46.19 45.08 2oxq s LEU 52 CO 0.04 -0.25 -0.09 0.42 -1.06 0.00 0.00 176.35 175.40 2oxq s THR 53 N -2.65 3.46 -0.18 5.48 -4.23 -0.21 -1.57 115.64 115.75 2oxq s THR 53 Ca 0.10 -0.54 0.01 0.00 -1.18 0.00 0.00 61.69 60.08 2oxq s THR 53 Cb -0.02 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.40 2oxq s THR 53 CO 0.01 0.55 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.83 2oxq s ILE 54 N -0.18 2.20 -0.23 2.99 1.01 -0.12 -1.75 121.20 125.13 2oxq s ILE 54 Ca 0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 2oxq s ILE 54 Cb -0.13 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.43 2oxq s ILE 54 CO 0.03 0.53 -0.10 -1.00 0.00 0.00 0.00 174.94 174.40 2oxq s HIS 55 N 1.28 3.00 -0.28 3.97 3.76 -0.10 -0.73 115.29 126.19 2oxq s HIS 55 Ca 0.04 -1.56 -0.24 0.00 -0.15 0.00 0.00 55.06 53.15 2oxq s HIS 55 Cb -0.13 -2.02 -0.00 0.00 1.11 0.00 0.00 32.58 31.53 2oxq s HIS 55 CO -0.11 -0.74 0.81 -0.06 -0.85 0.00 0.00 174.74 173.78 2oxq s PHE 56 N 1.32 3.25 0.60 1.40 0.08 -0.26 -0.85 117.98 123.51 2oxq s PHE 56 Ca 0.01 0.95 -0.19 0.00 0.12 0.00 0.00 56.93 57.82 2oxq s PHE 56 Cb -0.16 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.11 2oxq s PHE 56 CO -0.06 -0.50 1.26 -1.25 -0.10 0.00 0.00 175.22 174.56 2oxq s PRO 57 N 2.91 2.90 0.50 0.24 0.04 -1.26 -4.89 135.00 135.44 2oxq s PRO 57 Ca 0.33 1.96 0.25 0.00 0.04 0.00 0.00 61.00 63.58 2oxq s PRO 57 Cb -0.15 -1.97 1.32 0.00 0.04 0.00 0.00 34.50 33.74 2oxq s PRO 57 CO 0.10 -1.30 1.92 1.79 0.04 0.00 0.00 177.00 179.56 2oxq h THR 58 N 0.91 0.67 -0.93 1.26 1.35 -1.99 -1.03 112.91 113.15 2oxq h THR 58 Ca -0.51 -0.05 -0.57 0.00 -0.55 0.00 0.00 66.41 64.73 2oxq h THR 58 Cb 1.31 0.52 -0.28 0.00 -1.73 0.00 0.00 68.15 67.97 2oxq h THR 58 CO 0.55 0.03 0.74 -0.90 -0.25 0.00 0.00 175.52 175.68 2oxq n ASP 59 N -4.38 6.08 -4.78 5.36 3.85 -1.26 -4.76 116.55 116.65 2oxq n ASP 59 Ca 0.15 -3.62 -0.34 0.00 -0.71 0.00 0.00 54.79 50.27 2oxq n ASP 59 Cb 0.74 -0.92 0.01 0.00 -1.35 0.00 0.00 41.12 39.59 2oxq n ASP 59 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 2oxq s TYR 60 N -3.37 2.71 -0.52 2.11 5.04 -0.39 -1.90 117.35 121.03 2oxq s TYR 60 Ca 0.58 1.55 0.10 0.00 -2.44 0.00 0.00 57.07 56.86 2oxq s TYR 60 Cb 0.46 -3.22 0.59 0.00 0.35 0.00 0.00 41.96 40.14 2oxq s TYR 60 CO 0.03 -1.49 1.41 -0.35 -1.34 0.00 0.00 175.55 173.81 2oxq n PRO 61 N -1.53 3.78 0.15 4.97 -0.04 -1.26 -4.09 135.00 136.98 2oxq n PRO 61 Ca 0.11 -2.28 0.13 0.00 -0.04 0.00 0.00 63.50 61.42 2oxq n PRO 61 Cb 0.51 -2.03 0.39 0.00 -0.04 0.00 0.00 33.50 32.33 2oxq n PRO 61 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2oxq h PHE 62 N 2.92 0.00 -3.79 0.54 0.04 -1.75 -3.31 116.94 111.59 2oxq h PHE 62 Ca 0.00 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.11 2oxq h PHE 62 Cb 1.54 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 39.48 2oxq h PHE 62 CO 0.78 0.00 -0.85 0.15 -0.60 0.00 0.00 178.31 177.79 2oxq s LYS 63 N -3.21 1.37 0.71 1.51 -0.14 -1.20 -4.89 119.74 113.89 2oxq s LYS 63 Ca 0.08 -1.35 -0.11 0.00 -1.36 0.00 0.00 55.97 53.23 2oxq s LYS 63 Cb 0.10 -1.79 0.02 0.00 -1.68 0.00 0.00 37.83 34.47 2oxq s LYS 63 CO 0.57 0.42 1.08 -1.25 -0.76 0.00 0.00 175.35 175.41 2oxq s PRO 64 N -2.15 2.78 0.51 -1.68 0.04 -1.26 -4.69 135.00 128.56 2oxq s PRO 64 Ca 0.14 0.70 -0.14 0.00 0.04 0.00 0.00 61.00 61.73 2oxq s PRO 64 Cb -0.10 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 2oxq s PRO 64 CO 0.06 -1.14 0.95 -1.25 0.04 0.00 0.00 177.00 175.66 2oxq s PRO 65 N -5.18 3.85 -0.51 0.56 0.04 -1.26 -4.56 135.00 127.93 2oxq s PRO 65 Ca 0.58 0.82 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 2oxq s PRO 65 Cb -0.13 -2.18 0.05 0.00 0.04 0.00 0.00 34.50 32.29 2oxq s PRO 65 CO 0.54 -0.28 0.71 0.15 0.04 0.00 0.00 177.00 178.15 2oxq s LYS 66 N -4.24 3.19 -0.21 4.56 3.01 -0.03 -4.91 119.74 121.10 2oxq s LYS 66 Ca 0.57 -0.69 -0.03 0.00 -1.01 0.00 0.00 55.97 54.80 2oxq s LYS 66 Cb -0.10 -4.07 -0.00 0.00 -1.01 0.00 0.00 37.83 32.64 2oxq s LYS 66 CO 0.36 -1.27 -0.06 0.08 0.51 0.00 0.00 175.35 174.96 2oxq s VAL 67 N 2.98 3.20 0.02 3.17 1.01 -1.26 -0.93 120.40 128.59 2oxq s VAL 67 Ca 0.20 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2oxq s VAL 67 Cb -0.17 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 2oxq s VAL 67 CO 0.14 0.44 -0.04 0.00 0.00 0.00 0.00 175.10 175.64 2oxq s ALA 68 N 1.44 0.26 0.02 5.51 0.00 -0.72 -4.41 121.76 123.86 2oxq s ALA 68 Ca 0.06 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 2oxq s ALA 68 Cb -0.14 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2oxq s ALA 68 CO -0.04 -0.04 1.11 -0.06 0.00 0.00 0.00 175.76 176.72 2oxq s PHE 69 N -0.86 3.50 -0.64 0.00 0.08 0.24 -1.04 117.98 119.25 2oxq s PHE 69 Ca -0.08 1.46 0.22 0.00 0.12 0.00 0.00 56.93 58.65 2oxq s PHE 69 Cb -0.06 -3.29 -0.16 0.00 -0.57 0.00 0.00 43.02 38.94 2oxq s PHE 69 CO -0.00 -0.75 0.84 0.25 -0.10 0.00 0.00 175.22 175.46 2oxq n THR 70 N 4.01 0.05 -3.96 0.64 -2.24 0.36 -3.73 114.28 109.41 2oxq n THR 70 Ca 0.08 -0.20 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 2oxq n THR 70 Cb 0.48 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 2oxq n THR 70 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2oxq s THR 71 N -3.19 5.22 0.38 4.28 -4.23 -1.18 -4.98 115.64 111.94 2oxq s THR 71 Ca 0.03 -0.24 -0.26 0.00 -1.18 0.00 0.00 61.69 60.03 2oxq s THR 71 Cb 0.15 -3.43 -0.09 0.00 1.34 0.00 0.00 72.50 70.47 2oxq s THR 71 CO 0.86 0.33 1.25 -0.75 -0.54 0.00 0.00 174.62 175.77 2oxq s LYS 72 N -1.89 4.10 -0.13 3.99 2.20 -1.26 -4.89 119.74 121.86 2oxq s LYS 72 Ca 0.26 2.05 -0.10 0.00 -0.36 0.00 0.00 55.97 57.83 2oxq s LYS 72 Cb -0.12 -2.82 0.04 0.00 -1.51 0.00 0.00 37.83 33.42 2oxq s LYS 72 CO 0.17 -0.35 0.33 -1.50 -0.36 0.00 0.00 175.35 173.65 2oxq s ILE 73 N -1.28 -0.01 -0.79 5.43 2.07 -1.26 -4.74 121.20 120.62 2oxq s ILE 73 Ca 0.55 0.05 -0.22 0.00 -1.41 0.00 0.00 60.65 59.61 2oxq s ILE 73 Cb -0.36 -0.48 0.07 0.00 0.13 0.00 0.00 42.46 41.83 2oxq s ILE 73 CO 0.46 0.02 1.13 -0.47 -1.91 0.00 0.00 174.94 174.17 2oxq s TYR 74 N 0.67 2.69 -0.15 3.50 5.04 -1.26 -4.89 117.35 122.95 2oxq s TYR 74 Ca -0.04 -0.71 -0.17 0.00 -2.44 0.00 0.00 57.07 53.71 2oxq s TYR 74 Cb -0.05 -4.41 0.04 0.00 0.35 0.00 0.00 41.96 37.89 2oxq s TYR 74 CO -0.04 -1.73 0.47 -1.58 -1.34 0.00 0.00 175.55 171.32 2oxq s HIS 75 N 4.15 -0.48 0.39 4.97 2.46 -1.26 -4.76 115.29 120.75 2oxq s HIS 75 Ca 0.30 1.13 0.21 0.00 0.47 0.00 0.00 55.06 57.18 2oxq s HIS 75 Cb -0.10 0.18 1.15 0.00 -0.13 0.00 0.00 32.58 33.68 2oxq s HIS 75 CO 0.03 -0.29 1.98 -1.00 -2.47 0.00 0.00 174.74 172.99 2oxq h PRO 76 N 5.05 0.00 -0.16 2.88 0.13 -1.85 -3.12 132.00 134.93 2oxq h PRO 76 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2oxq h PRO 76 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2oxq h PRO 76 CO 0.24 0.20 0.00 0.09 -0.23 0.00 0.00 178.00 178.30 2oxq n ASN 77 N -3.86 3.02 -3.97 1.44 3.02 -1.26 -1.82 115.26 111.84 2oxq n ASN 77 Ca -0.02 -1.93 -0.29 0.00 -0.03 0.00 0.00 54.58 52.31 2oxq n ASN 77 Cb 0.29 -0.09 -0.16 0.00 -0.61 0.00 0.00 39.78 39.21 2oxq n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2oxq s ILE 78 N -1.66 1.44 0.75 2.41 1.01 -1.18 -0.17 121.20 123.81 2oxq s ILE 78 Ca 0.30 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 2oxq s ILE 78 Cb 0.19 -1.50 0.13 0.00 0.01 0.00 0.00 42.46 41.30 2oxq s ILE 78 CO 0.28 0.24 1.04 0.54 0.00 0.00 0.00 174.94 177.04 2oxq s ASN 79 N 1.50 4.20 0.44 3.58 2.20 -0.29 -4.37 114.94 122.20 2oxq s ASN 79 Ca 0.01 -0.26 0.20 0.00 -0.94 0.00 0.00 52.86 51.87 2oxq s ASN 79 Cb -0.15 -0.09 1.15 0.00 -2.00 0.00 0.00 41.25 40.17 2oxq s ASN 79 CO -0.09 -1.97 1.86 0.77 -2.94 0.00 0.00 177.10 174.74 2oxq h SER 80 N -0.67 0.34 -1.36 3.54 4.64 -1.91 -1.79 113.55 116.33 2oxq h SER 80 Ca -0.38 0.04 -0.69 0.00 -0.47 0.00 0.00 61.79 60.29 2oxq h SER 80 Cb 1.26 -0.02 -0.31 0.00 -0.31 0.00 0.00 62.40 63.02 2oxq h SER 80 CO 0.40 0.13 0.58 -0.46 -0.87 0.00 0.00 176.83 176.61 2oxq n ASN 81 N -4.48 7.02 -0.71 4.97 0.23 -1.26 -4.89 115.26 116.14 2oxq n ASN 81 Ca 0.19 -3.80 -0.09 0.00 -0.53 0.00 0.00 54.58 50.35 2oxq n ASN 81 Cb 0.74 -0.88 -0.04 0.00 -2.08 0.00 0.00 39.78 37.52 2oxq n ASN 81 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2oxq n GLY 82 N -0.72 0.93 3.73 4.83 0.00 -0.67 -4.84 105.19 108.45 2oxq n GLY 82 Ca 0.55 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 2oxq n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oxq s SER 83 N -2.40 7.38 -0.13 1.61 0.01 -1.25 -0.59 113.70 118.33 2oxq s SER 83 Ca 0.00 1.92 -0.03 0.00 1.31 0.00 0.00 55.95 59.15 2oxq s SER 83 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 2oxq s SER 83 CO 0.00 -0.16 -0.03 -0.63 0.41 0.00 0.00 173.24 172.83 2oxq s ILE 84 N -0.00 3.94 -0.66 1.44 1.01 -1.26 -1.14 121.20 124.53 2oxq s ILE 84 Ca 0.49 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.65 2oxq s ILE 84 Cb -0.26 -2.70 0.17 0.00 0.01 0.00 0.00 42.46 39.68 2oxq s ILE 84 CO 0.32 0.53 0.59 0.00 0.00 0.00 0.00 174.94 176.38 2oxq s LEU 86 N 0.86 0.75 0.00 0.00 2.96 -1.26 -4.94 118.68 117.05 2oxq s LEU 86 Ca 0.10 -1.99 0.00 0.00 -0.22 0.00 0.00 54.13 52.03 2oxq s LEU 86 Cb -0.21 -0.22 0.00 0.00 0.50 0.00 0.00 46.19 46.26 2oxq s LEU 86 CO -0.03 -0.31 0.00 -0.90 -1.32 0.00 0.00 176.35 173.79 2oxq n ASP 87 N 4.20 0.00 0.31 3.68 5.75 -1.26 0.15 116.55 129.38 2oxq n ASP 87 Ca 0.10 0.00 0.19 0.00 -0.01 0.00 0.00 54.79 55.08 2oxq n ASP 87 Cb 0.39 0.00 1.04 0.00 -1.03 0.00 0.00 41.12 41.52 2oxq n ASP 87 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 2oxq h ILE 88 N 0.00 0.00 -0.01 2.12 2.10 -1.96 0.31 117.51 120.07 2oxq h ILE 88 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2oxq h ILE 88 Cb 0.00 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 36.57 2oxq h ILE 88 CO 0.00 0.00 -0.57 0.18 -1.08 0.00 0.00 178.15 176.68 2oxq n LEU 89 N -2.91 1.25 0.00 2.19 4.77 0.39 -3.34 117.00 119.35 2oxq n LEU 89 Ca -0.03 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2oxq n LEU 89 Cb 0.14 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2oxq n LEU 89 CO 0.17 0.26 0.00 -1.14 -1.33 0.00 0.00 177.39 175.35 2oxq n ARG 90 N -0.83 0.00 0.19 3.23 0.63 0.97 -4.82 116.66 116.03 2oxq n ARG 90 Ca 0.08 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.04 2oxq n ARG 90 Cb 0.38 0.00 0.36 0.00 0.45 0.00 0.00 32.46 33.65 2oxq n ARG 90 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2oxq h SER 91 N 0.00 0.00 -0.35 6.15 4.64 -1.84 -3.13 113.55 119.02 2oxq h SER 91 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2oxq h SER 91 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2oxq h SER 91 CO 0.00 0.38 0.10 0.00 -0.87 0.00 0.00 176.83 176.44 2oxq n GLN 92 N -3.98 2.54 -2.54 4.77 1.13 -0.49 -4.94 117.38 113.87 2oxq n GLN 92 Ca -0.02 -1.55 -0.40 0.00 -1.94 0.00 0.00 57.00 53.10 2oxq n GLN 92 Cb 0.43 -1.79 -0.05 0.00 0.11 0.00 0.00 30.24 28.94 2oxq n GLN 92 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 2oxq s TRP 93 N -1.80 3.66 -0.02 1.08 -0.11 -1.18 -4.58 118.94 115.98 2oxq s TRP 93 Ca 0.28 1.75 0.01 0.00 1.22 0.00 0.00 56.10 59.35 2oxq s TRP 93 Cb 0.22 -3.21 0.02 0.00 -1.50 0.00 0.00 33.47 29.00 2oxq s TRP 93 CO 0.07 -0.32 -0.01 0.45 -4.62 0.00 0.00 176.95 172.52 2oxq s SER 94 N -0.97 0.46 0.61 5.86 0.15 -1.26 -5.01 113.70 113.53 2oxq s SER 94 Ca 0.44 -0.05 0.24 0.00 0.70 0.00 0.00 55.95 57.28 2oxq s SER 94 Cb -0.30 -0.20 1.28 0.00 -1.71 0.00 0.00 66.02 65.09 2oxq s SER 94 CO 0.38 -0.06 1.70 -0.65 1.20 0.00 0.00 173.24 175.82 2oxq h PRO 95 N 6.93 0.00 0.00 5.44 0.11 -1.90 0.37 132.00 142.94 2oxq h PRO 95 Ca -0.38 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 2oxq h PRO 95 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2oxq h PRO 95 CO 0.49 0.00 -0.42 0.00 -0.21 0.00 0.00 178.00 177.85 2oxq h ALA 96 N 1.14 0.76 -2.36 -0.75 0.00 -1.95 -3.46 119.26 112.64 2oxq h ALA 96 Ca 0.00 -0.33 -0.50 0.00 0.00 0.00 0.00 54.91 54.08 2oxq h ALA 96 Cb 0.82 -0.04 0.12 0.00 0.00 0.00 0.00 17.79 18.69 2oxq h ALA 96 CO 0.00 0.45 0.32 -0.51 0.00 0.00 0.00 179.25 179.51 2oxq s LEU 97 N -6.32 2.74 0.16 0.00 1.43 0.13 -5.08 118.68 111.73 2oxq s LEU 97 Ca 0.04 1.51 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 2oxq s LEU 97 Cb 0.07 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.08 2oxq s LEU 97 CO 0.73 -1.98 -0.02 0.42 0.23 0.00 0.00 176.35 175.72 2oxq s THR 98 N -3.04 0.73 0.31 5.49 -4.23 -1.26 -4.97 115.64 108.67 2oxq s THR 98 Ca 0.61 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 2oxq s THR 98 Cb -0.15 -2.01 0.30 0.00 1.34 0.00 0.00 72.50 71.97 2oxq s THR 98 CO 0.55 -0.57 1.85 0.58 -0.54 0.00 0.00 174.62 176.49 2oxq h VAL 99 N 2.75 0.90 -0.97 2.29 2.07 -1.98 -0.22 116.25 121.10 2oxq h VAL 99 Ca -0.36 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 66.96 2oxq h VAL 99 Cb 1.20 -0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 2oxq h VAL 99 CO 0.63 0.16 0.60 -1.28 0.02 0.00 0.00 177.57 177.70 2oxq h SER 100 N 0.89 0.89 -0.15 0.57 0.87 -1.95 0.66 113.55 115.32 2oxq h SER 100 Ca 0.47 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 61.03 2oxq h SER 100 Cb 0.55 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2oxq h SER 100 CO -0.24 0.49 -0.09 0.11 -0.53 0.00 0.00 176.83 176.57 2oxq h LYS 101 N 0.97 0.33 -0.39 2.24 1.79 -1.47 -1.69 116.57 118.35 2oxq h LYS 101 Ca 0.47 -0.15 0.04 0.00 -2.18 0.00 0.00 60.65 58.83 2oxq h LYS 101 Cb 0.43 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.03 2oxq h LYS 101 CO -0.25 0.67 0.14 0.28 -1.08 0.00 0.00 179.45 179.21 2oxq h VAL 102 N -0.01 0.90 -0.22 0.50 2.07 -0.34 -0.59 116.25 118.56 2oxq h VAL 102 Ca 0.03 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.49 2oxq h VAL 102 Cb 0.58 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2oxq h VAL 102 CO 0.03 0.06 -0.08 -0.07 0.02 0.00 0.00 177.57 177.52 2oxq h LEU 103 N 0.31 -0.29 -0.70 2.57 3.38 0.36 -1.04 115.31 119.90 2oxq h LEU 103 Ca 0.18 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.29 2oxq h LEU 103 Cb 0.15 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2oxq h LEU 103 CO -0.17 -0.11 0.38 -0.07 0.09 0.00 0.00 178.44 178.56 2oxq h LEU 104 N -0.05 0.56 0.32 1.67 3.38 -0.61 -1.75 115.31 118.84 2oxq h LEU 104 Ca 0.11 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2oxq h LEU 104 Cb 0.22 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2oxq h LEU 104 CO -0.25 0.35 -0.31 0.28 0.09 0.00 0.00 178.44 178.60 2oxq h SER 105 N 0.70 -0.84 -1.00 -0.43 0.02 -0.36 -1.50 113.55 110.13 2oxq h SER 105 Ca 0.32 0.07 0.26 0.00 -0.84 0.00 0.00 61.79 61.60 2oxq h SER 105 Cb 0.23 0.28 -0.13 0.00 0.14 0.00 0.00 62.40 62.92 2oxq h SER 105 CO -0.20 -0.45 0.59 0.40 -1.14 0.00 0.00 176.83 176.03 2oxq h ILE 106 N -0.66 0.50 0.77 3.27 2.04 -0.68 0.69 117.51 123.44 2oxq h ILE 106 Ca -0.02 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 2oxq h ILE 106 Cb 0.60 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2oxq h ILE 106 CO -0.05 0.10 -0.37 0.00 0.00 0.00 0.00 178.15 177.82 2oxq h SER 108 N -1.24 0.27 0.59 0.00 4.64 -0.32 0.83 113.55 118.33 2oxq h SER 108 Ca -0.11 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2oxq h SER 108 Cb 0.81 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2oxq h SER 108 CO 0.17 0.16 0.00 -0.11 -0.87 0.00 0.00 176.83 176.19 2oxq n LEU 109 N -4.46 0.35 -0.01 5.97 7.94 0.23 -0.69 117.00 126.33 2oxq n LEU 109 Ca 0.09 0.59 -0.03 0.00 -1.11 0.00 0.00 56.01 55.54 2oxq n LEU 109 Cb 0.40 -0.55 -0.12 0.00 0.53 0.00 0.00 43.42 43.68 2oxq n LEU 109 CO 0.34 -0.43 -0.58 0.18 -1.11 0.00 0.00 177.39 175.80 2oxq n LEU 110 N -1.89 0.60 0.09 -1.96 4.77 0.28 -3.46 117.00 115.44 2oxq n LEU 110 Ca 0.03 0.27 0.04 0.00 -0.03 0.00 0.00 56.01 56.32 2oxq n LEU 110 Cb 0.19 0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2oxq n LEU 110 CO 0.16 0.27 0.09 0.00 -1.33 0.00 0.00 177.39 176.58 2oxq s ASP 112 N -5.94 1.42 0.74 0.00 1.01 0.14 -4.85 116.67 109.19 2oxq s ASP 112 Ca 0.00 -2.93 -0.15 0.00 0.71 0.00 0.00 52.55 50.18 2oxq s ASP 112 Cb 0.08 -0.33 0.03 0.00 1.01 0.00 0.00 42.92 43.71 2oxq s ASP 112 CO 0.78 -0.18 1.15 -2.65 0.21 0.00 0.00 175.17 174.47 2oxq n PRO 113 N 2.96 0.55 -3.83 8.23 -0.02 -1.22 -4.61 135.00 137.06 2oxq n PRO 113 Ca 0.28 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.68 2oxq n PRO 113 Cb 0.47 -2.39 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 2oxq n PRO 113 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2oxq s ASN 114 N -1.75 4.88 0.58 2.55 2.47 -1.26 -4.95 114.94 117.46 2oxq s ASN 114 Ca 0.76 -3.17 0.36 0.00 0.42 0.00 0.00 52.86 51.23 2oxq s ASN 114 Cb -0.33 -1.74 1.75 0.00 -1.45 0.00 0.00 41.25 39.48 2oxq s ASN 114 CO 0.48 -0.25 2.14 1.55 -3.72 0.00 0.00 177.10 177.30 2oxq h PRO 115 N 6.45 0.00 0.00 0.43 0.13 -1.93 -2.82 132.00 134.25 2oxq h PRO 115 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2oxq h PRO 115 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2oxq h PRO 115 CO 0.72 0.03 0.00 -0.44 -0.23 0.00 0.00 178.00 178.08 2oxq h ASP 116 N 0.00 0.00 -2.19 1.44 3.32 -1.93 -3.20 116.42 113.86 2oxq h ASP 116 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2oxq h ASP 116 Cb 0.30 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.45 2oxq h ASP 116 CO 0.00 0.00 -0.86 -0.67 -1.72 0.00 0.00 179.24 175.99 2oxq n ASP 117 N -2.67 1.67 -3.75 6.45 2.03 -1.06 -5.12 116.55 114.11 2oxq n ASP 117 Ca 0.01 -2.98 -0.30 0.00 0.52 0.00 0.00 54.79 52.04 2oxq n ASP 117 Cb 0.26 -0.65 0.24 0.00 -0.72 0.00 0.00 41.12 40.25 2oxq n ASP 117 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2oxq s PRO 118 N -1.58 -1.33 0.00 -0.67 0.04 -1.21 -4.83 135.00 125.42 2oxq s PRO 118 Ca 0.36 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2oxq s PRO 118 Cb 0.13 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 33.09 2oxq s PRO 118 CO -0.09 -3.77 0.00 -0.11 0.04 0.00 0.00 177.00 173.07 2oxq n LEU 119 N -4.80 0.00 -3.61 -3.56 0.00 -0.76 -4.93 117.00 99.34 2oxq n LEU 119 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 55.87 2oxq n LEU 119 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.90 2oxq n LEU 119 CO 0.44 0.00 -0.22 -0.69 0.00 0.00 0.00 177.39 176.93 2oxq s VAL 120 N -0.54 1.33 0.15 1.96 1.01 -0.88 -4.90 120.40 118.53 2oxq s VAL 120 Ca 0.00 -3.10 -0.22 0.00 0.00 0.00 0.00 61.98 58.66 2oxq s VAL 120 Cb 0.00 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.50 2oxq s VAL 120 CO 0.00 -1.09 1.24 -2.65 0.00 0.00 0.00 175.10 172.60 2oxq n PRO 121 N 2.75 -0.30 -0.11 2.72 -0.02 -1.26 -1.51 135.00 137.27 2oxq n PRO 121 Ca 0.22 1.22 -0.08 0.00 -2.02 0.00 0.00 63.50 62.84 2oxq n PRO 121 Cb 0.41 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 2oxq n PRO 121 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2oxq h ASP 122 N 0.00 -1.08 -0.41 2.55 3.45 -1.98 0.94 116.42 119.89 2oxq h ASP 122 Ca 0.17 0.19 -0.04 0.00 0.43 0.00 0.00 57.03 57.78 2oxq h ASP 122 Cb 0.37 0.50 -0.02 0.00 -0.56 0.00 0.00 39.33 39.62 2oxq h ASP 122 CO -0.77 -0.32 0.13 0.40 -1.57 0.00 0.00 179.24 177.11 2oxq h ILE 123 N -0.27 1.20 -0.53 0.35 2.04 -1.74 0.38 117.51 118.94 2oxq h ILE 123 Ca 0.16 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 2oxq h ILE 123 Cb 0.54 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2oxq h ILE 123 CO -0.52 0.26 0.17 0.00 0.00 0.00 0.00 178.15 178.06 2oxq h ALA 124 N 1.45 0.69 0.68 1.87 0.00 0.19 0.72 119.26 124.86 2oxq h ALA 124 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2oxq h ALA 124 Cb 0.24 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2oxq h ALA 124 CO -0.00 0.35 -0.33 1.25 0.00 0.00 0.00 179.25 180.52 2oxq h HIS 125 N 0.72 -0.85 -0.74 0.00 -0.00 0.16 -0.80 115.15 113.65 2oxq h HIS 125 Ca 0.17 -0.02 0.21 0.00 -0.00 0.00 0.00 60.37 60.73 2oxq h HIS 125 Cb 0.28 0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.94 2oxq h HIS 125 CO 0.02 -0.50 0.58 0.82 -0.00 0.00 0.00 177.93 178.85 2oxq h ILE 126 N -1.16 0.51 0.08 6.26 1.08 -0.24 0.33 117.51 124.37 2oxq h ILE 126 Ca -0.09 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2oxq h ILE 126 Cb 0.73 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2oxq h ILE 126 CO 0.15 0.00 -0.04 0.22 -0.69 0.00 0.00 178.15 177.79 2oxq h TYR 127 N 0.00 -0.10 0.42 1.37 3.20 -0.49 -2.99 116.97 118.38 2oxq h TYR 127 Ca 0.35 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 2oxq h TYR 127 Cb 1.51 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.79 2oxq h TYR 127 CO 0.00 0.39 -0.40 0.87 -1.64 0.00 0.00 178.16 177.38 2oxq h LYS 128 N -0.68 -0.81 0.00 1.82 1.57 0.51 -3.30 116.57 115.68 2oxq h LYS 128 Ca -0.01 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2oxq h LYS 128 Cb 0.55 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2oxq h LYS 128 CO 0.02 -0.54 0.00 -1.13 -0.57 0.00 0.00 179.45 177.23 2oxq n SER 129 N -5.50 0.00 -3.83 0.86 3.41 -0.48 -4.56 113.62 103.52 2oxq n SER 129 Ca -0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.12 2oxq n SER 129 Cb 0.40 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.27 2oxq n SER 129 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2oxq n ASP 130 N 0.00 2.04 0.30 4.04 -0.08 -1.19 -4.63 116.55 117.04 2oxq n ASP 130 Ca 0.00 -2.61 0.19 0.00 -1.51 0.00 0.00 54.79 50.86 2oxq n ASP 130 Cb 0.00 -1.09 0.88 0.00 2.34 0.00 0.00 41.12 43.25 2oxq n ASP 130 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2oxq h LYS 131 N 9.18 0.00 -0.23 -0.67 3.11 -1.60 -2.10 116.57 124.25 2oxq h LYS 131 Ca 0.30 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.94 2oxq h LYS 131 Cb 0.75 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 2oxq h LYS 131 CO 1.78 0.01 -0.65 1.49 -2.81 0.00 0.00 179.45 179.27 2oxq h GLU 132 N 0.00 0.85 0.00 1.90 4.81 -1.84 -2.89 114.58 117.40 2oxq h GLU 132 Ca -0.00 -0.60 -0.05 0.00 -0.13 0.00 0.00 59.36 58.58 2oxq h GLU 132 Cb 0.32 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2oxq h GLU 132 CO 0.00 1.22 -0.26 -0.22 -0.73 0.00 0.00 179.01 179.03 2oxq h LYS 133 N 0.62 0.00 0.61 1.92 3.64 -1.69 -2.76 116.57 118.91 2oxq h LYS 133 Ca -0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2oxq h LYS 133 Cb 1.27 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2oxq h LYS 133 CO 0.14 0.26 -0.29 -0.92 -2.27 0.00 0.00 179.45 176.36 2oxq h TYR 134 N 0.00 -0.76 -0.21 1.91 3.20 -1.30 -2.20 116.97 117.61 2oxq h TYR 134 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2oxq h TYR 134 Cb 0.51 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2oxq h TYR 134 CO 0.00 -0.45 0.14 -0.91 -1.64 0.00 0.00 178.16 175.30 2oxq h ASN 135 N -0.87 0.24 0.12 -2.11 2.35 -1.44 0.19 115.58 114.06 2oxq h ASN 135 Ca -0.08 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2oxq h ASN 135 Cb 0.65 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2oxq h ASN 135 CO 0.14 0.18 -0.06 -0.09 -1.65 0.00 0.00 177.43 175.95 2oxq h ARG 136 N 0.29 -0.16 0.00 0.81 1.12 -1.27 -1.34 114.38 113.84 2oxq h ARG 136 Ca 0.08 0.01 -0.12 0.00 -1.11 0.00 0.00 59.98 58.83 2oxq h ARG 136 Cb -0.03 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 2oxq h ARG 136 CO -0.02 -0.04 -0.59 -0.07 -3.11 0.00 0.00 179.97 176.14 2oxq h LEU 137 N -0.24 0.00 0.11 3.80 3.38 -0.84 -2.39 115.31 119.13 2oxq h LEU 137 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2oxq h LEU 137 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2oxq h LEU 137 CO 0.03 0.59 -0.05 0.00 0.09 0.00 0.00 178.44 179.10 2oxq h ALA 138 N 1.41 -0.14 0.00 1.53 0.00 -0.48 -0.34 119.26 121.23 2oxq h ALA 138 Ca -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2oxq h ALA 138 Cb 1.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2oxq h ALA 138 CO 0.08 -0.40 -0.19 -0.09 0.00 0.00 0.00 179.25 178.64 2oxq h ARG 139 N -0.50 0.00 0.11 0.00 2.43 -1.27 -1.06 114.38 114.09 2oxq h ARG 139 Ca -0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2oxq h ARG 139 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2oxq h ARG 139 CO 0.02 0.19 -0.05 1.49 -1.51 0.00 0.00 179.97 180.11 2oxq h GLU 140 N 0.00 -0.15 -0.84 0.20 4.81 -1.21 -1.79 114.58 115.60 2oxq h GLU 140 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2oxq h GLU 140 Cb 0.39 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2oxq h GLU 140 CO 0.03 0.21 0.43 -1.49 -0.73 0.00 0.00 179.01 177.45 2oxq h TRP 141 N -0.52 1.18 -0.12 0.92 4.06 -0.76 -0.91 115.95 119.80 2oxq h TRP 141 Ca -0.02 -0.04 0.02 0.00 2.06 0.00 0.00 58.89 60.91 2oxq h TRP 141 Cb 0.42 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 28.19 2oxq h TRP 141 CO 0.04 0.84 -0.01 1.15 -3.56 0.00 0.00 178.44 176.90 2oxq h THR 142 N 1.19 0.90 -0.12 1.49 2.02 -1.16 0.61 112.91 117.83 2oxq h THR 142 Ca 0.29 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.40 2oxq h THR 142 Cb 0.08 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2oxq h THR 142 CO -0.04 0.01 -0.19 1.56 0.37 0.00 0.00 175.52 177.23 2oxq h GLN 143 N 0.03 0.20 0.00 6.66 4.20 -0.95 0.30 115.11 125.55 2oxq h GLN 143 Ca 0.06 -0.05 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 2oxq h GLN 143 Cb 0.08 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2oxq h GLN 143 CO -0.11 0.39 -1.25 -0.22 -0.67 0.00 0.00 178.83 176.97 2oxq h LYS 144 N 0.19 0.00 0.00 1.46 3.64 -0.62 -3.37 116.57 117.87 2oxq h LYS 144 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2oxq h LYS 144 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2oxq h LYS 144 CO 0.03 0.48 -0.24 0.66 -2.27 0.00 0.00 179.45 178.10 2oxq n TYR 145 N -3.05 0.00 -0.14 1.91 4.01 0.21 -4.79 117.16 115.31 2oxq n TYR 145 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2oxq n TYR 145 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 2oxq n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2oxq n ALA 146 N -1.05 1.99 0.27 -0.72 0.00 0.10 -4.66 120.51 116.44 2oxq n ALA 146 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 53.44 52.75 2oxq n ALA 146 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2oxq n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17