#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ost s GLY 1 N 0.00 -0.17 0.00 3.03 0.00 -1.26 -5.08 107.32 103.84 2ost s GLY 1 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.65 2ost s GLY 1 CO 0.00 2.91 0.00 -1.26 0.00 0.00 0.00 173.10 174.75 2ost n SER 2 N 3.61 0.00 -0.00 1.64 2.88 -1.26 -4.82 113.62 115.66 2ost n SER 2 Ca 0.17 -0.69 0.02 0.00 -1.33 0.00 0.00 58.87 57.04 2ost n SER 2 Cb 0.50 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.32 2ost n SER 2 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2ost h THR 3 N -0.26 1.15 0.00 2.46 2.02 -2.01 -0.70 112.91 115.57 2ost h THR 3 Ca 0.00 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 2ost h THR 3 Cb 0.00 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2ost h THR 3 CO 0.00 0.18 -0.14 0.11 0.37 0.00 0.00 175.52 176.05 2ost h LYS 4 N 0.53 0.00 0.02 6.66 6.56 -2.00 -2.60 116.57 125.73 2ost h LYS 4 Ca 0.13 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.41 2ost h LYS 4 Cb 0.12 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.73 2ost h LYS 4 CO -0.01 0.14 -1.86 -0.11 -2.06 0.00 0.00 179.45 175.54 2ost n LEU 5 N -3.98 1.04 -0.21 2.94 0.00 -0.56 -3.42 117.00 112.81 2ost n LEU 5 Ca -0.02 0.32 -0.08 0.00 0.00 0.00 0.00 56.01 56.23 2ost n LEU 5 Cb 0.22 0.01 0.03 0.00 0.00 0.00 0.00 43.42 43.68 2ost n LEU 5 CO 0.33 0.48 0.97 0.50 0.00 0.00 0.00 177.39 179.67 2ost h LYS 6 N 0.01 0.90 -0.10 1.96 3.64 -1.03 -2.42 116.57 119.53 2ost h LYS 6 Ca -0.35 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 58.79 2ost h LYS 6 Cb 2.05 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.72 2ost h LYS 6 CO 0.07 0.78 -0.24 0.78 -2.27 0.00 0.00 179.45 178.56 2ost h GLY 7 N 0.83 0.18 0.96 5.01 0.00 -1.64 -2.67 103.07 105.74 2ost h GLY 7 Ca 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2ost h GLY 7 CO -0.01 0.12 0.20 -0.55 0.00 0.00 0.00 176.54 176.29 2ost h ASP 8 N 0.15 0.62 -0.25 0.19 3.32 -1.48 -1.45 116.42 117.51 2ost h ASP 8 Ca 0.03 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2ost h ASP 8 Cb 0.52 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2ost h ASP 8 CO 0.04 0.60 0.10 0.40 -1.72 0.00 0.00 179.24 178.66 2ost h ILE 9 N 0.59 1.17 -0.79 0.35 2.04 -1.34 -2.19 117.51 117.34 2ost h ILE 9 Ca 0.15 -0.52 0.12 0.00 1.00 0.00 0.00 64.86 65.61 2ost h ILE 9 Cb 0.16 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 2ost h ILE 9 CO -0.02 0.17 0.40 0.00 0.00 0.00 0.00 178.15 178.71 2ost h ALA 10 N 0.94 1.14 -0.08 1.87 0.00 -1.36 0.29 119.26 122.07 2ost h ALA 10 Ca 0.08 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ost h ALA 10 Cb 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2ost h ALA 10 CO -0.01 -0.06 0.04 0.37 0.00 0.00 0.00 179.25 179.59 2ost h GLN 11 N 0.63 0.11 -0.45 0.00 4.15 -1.05 -2.41 115.11 116.09 2ost h GLN 11 Ca 0.41 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.76 2ost h GLN 11 Cb 0.51 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 2ost h GLN 11 CO -0.32 0.20 0.08 1.96 -1.93 0.00 0.00 178.83 178.82 2ost h GLN 12 N -0.00 0.69 -0.31 1.69 7.50 -0.70 -1.99 115.11 121.99 2ost h GLN 12 Ca 0.03 -0.14 -0.00 0.00 0.50 0.00 0.00 58.65 59.03 2ost h GLN 12 Cb 0.13 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 2ost h GLN 12 CO -0.00 0.66 0.18 0.00 -1.50 0.00 0.00 178.83 178.16 2ost h ALA 13 N 1.42 0.39 -0.55 3.87 0.00 -0.32 -1.17 119.26 122.88 2ost h ALA 13 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ost h ALA 13 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2ost h ALA 13 CO 0.00 -0.10 0.35 0.00 0.00 0.00 0.00 179.25 179.50 2ost h ALA 14 N 1.05 0.70 -0.55 0.00 0.00 -1.11 -1.10 119.26 118.26 2ost h ALA 14 Ca 0.11 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2ost h ALA 14 Cb 0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2ost h ALA 14 CO -0.02 0.17 0.27 0.82 0.00 0.00 0.00 179.25 180.49 2ost h ILE 15 N 0.75 0.92 0.03 0.00 2.04 -1.19 -0.96 117.51 119.10 2ost h ILE 15 Ca 0.20 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2ost h ILE 15 Cb -0.04 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2ost h ILE 15 CO -0.04 0.09 -0.04 -0.03 0.00 0.00 0.00 178.15 178.13 2ost h MET 16 N 0.51 -0.08 -0.62 2.37 4.05 -0.47 -0.67 114.93 120.02 2ost h MET 16 Ca 0.25 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.75 2ost h MET 16 Cb 0.19 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.95 2ost h MET 16 CO -0.19 -0.05 0.30 0.00 0.23 0.00 0.00 176.91 177.19 2ost h ARG 17 N -0.08 0.52 -0.53 0.39 2.47 -0.91 0.66 114.38 116.89 2ost h ARG 17 Ca 0.01 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.66 2ost h ARG 17 Cb 0.09 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 2ost h ARG 17 CO -0.02 0.34 0.18 0.00 0.56 0.00 0.00 179.97 181.03 2ost h ALA 18 N 1.37 1.33 -0.30 0.04 0.00 -0.84 -1.43 119.26 119.44 2ost h ALA 18 Ca 0.30 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 2ost h ALA 18 Cb 0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2ost h ALA 18 CO -0.24 0.49 -0.51 -0.07 0.00 0.00 0.00 179.25 178.92 2ost h LEU 19 N 0.76 0.94 -1.28 0.00 3.38 -0.06 -1.78 115.31 117.27 2ost h LEU 19 Ca 0.18 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2ost h LEU 19 Cb 0.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2ost h LEU 19 CO -0.01 1.28 0.34 0.50 0.09 0.00 0.00 178.44 180.63 2ost h LYS 20 N 0.66 0.83 0.00 1.13 3.64 -0.59 -0.42 116.57 121.82 2ost h LYS 20 Ca 0.02 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2ost h LYS 20 Cb 1.11 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2ost h LYS 20 CO 0.11 0.60 0.00 -1.33 -2.27 0.00 0.00 179.45 176.57 2ost n MET 21 N -4.39 0.44 -0.78 1.90 2.81 -0.57 -4.86 117.12 111.67 2ost n MET 21 Ca 0.06 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2ost n MET 21 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2ost n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ost n GLY 22 N 0.33 1.21 3.80 3.03 0.00 -0.17 -5.02 105.19 108.38 2ost n GLY 22 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2ost n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ost s TRP 23 N -3.70 2.84 0.52 1.61 0.51 -0.69 -4.97 118.94 115.07 2ost s TRP 23 Ca 0.00 1.27 -0.05 0.00 -2.12 0.00 0.00 56.10 55.21 2ost s TRP 23 Cb 0.00 -3.05 -0.01 0.00 -0.81 0.00 0.00 33.47 29.60 2ost s TRP 23 CO 0.00 -1.68 0.82 0.20 -0.51 0.00 0.00 176.95 175.78 2ost s GLY 24 N -3.78 1.55 -0.08 0.98 0.00 -0.59 -4.42 107.32 100.98 2ost s GLY 24 Ca 0.60 -0.65 -0.03 0.00 0.00 0.00 0.00 44.72 44.64 2ost s GLY 24 CO 0.55 -0.44 0.15 0.54 0.00 0.00 0.00 173.10 173.90 2ost s VAL 25 N -2.82 -0.19 -0.09 1.40 0.11 -1.26 -0.62 120.40 116.92 2ost s VAL 25 Ca 0.50 0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 59.84 2ost s VAL 25 Cb -0.10 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 2ost s VAL 25 CO 0.44 0.12 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.55 2ost s LEU 26 N 1.90 3.39 -0.12 2.54 2.01 0.50 -4.99 118.68 123.91 2ost s LEU 26 Ca -0.01 0.04 0.02 0.00 0.01 0.00 0.00 54.13 54.18 2ost s LEU 26 Cb -0.12 -1.77 -0.01 0.00 0.01 0.00 0.00 46.19 44.31 2ost s LEU 26 CO -0.06 0.33 -0.18 -0.54 1.01 0.00 0.00 176.35 176.91 2ost s LYS 27 N -0.61 3.20 0.73 1.70 3.01 -1.26 -2.05 119.74 124.47 2ost s LYS 27 Ca 0.10 -0.78 -0.11 0.00 -1.01 0.00 0.00 55.97 54.16 2ost s LYS 27 Cb -0.12 -2.49 0.03 0.00 -1.01 0.00 0.00 37.83 34.25 2ost s LYS 27 CO 0.02 0.16 1.08 -1.25 0.51 0.00 0.00 175.35 175.86 2ost s PRO 28 N 0.45 2.62 -0.18 -1.68 0.04 -1.26 -5.05 135.00 129.94 2ost s PRO 28 Ca -0.13 0.75 -0.17 0.00 0.04 0.00 0.00 61.00 61.48 2ost s PRO 28 Cb -0.17 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2ost s PRO 28 CO 0.06 -1.27 0.46 -0.51 0.04 0.00 0.00 177.00 175.78 2ost s LEU 29 N -5.59 4.19 0.20 -3.56 1.02 -1.26 -4.95 118.68 108.73 2ost s LEU 29 Ca 0.59 0.65 0.00 0.00 0.02 0.00 0.00 54.13 55.39 2ost s LEU 29 Cb -0.14 -2.63 0.00 0.00 0.02 0.00 0.00 46.19 43.44 2ost s LEU 29 CO 0.54 -0.09 0.00 0.61 0.02 0.00 0.00 176.35 177.43 2ost n GLY 30 N 3.72 -1.95 1.09 -3.19 0.00 -1.26 -4.64 105.19 98.96 2ost n GLY 30 Ca -0.07 -1.33 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 2ost n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ost n ASP 31 N -3.00 2.33 0.16 1.61 5.75 -1.26 -4.55 116.55 117.58 2ost n ASP 31 Ca -0.01 -3.82 0.12 0.00 -0.01 0.00 0.00 54.79 51.08 2ost n ASP 31 Cb 0.32 -0.62 0.17 0.00 -1.03 0.00 0.00 41.12 39.97 2ost n ASP 31 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2ost h ARG 32 N 1.00 0.00 -7.31 0.11 0.11 -1.97 -3.46 114.38 102.85 2ost h ARG 32 Ca 0.19 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.77 2ost h ARG 32 Cb 1.56 0.00 0.05 0.00 1.11 0.00 0.00 29.97 32.70 2ost h ARG 32 CO 0.33 0.00 0.39 -0.51 0.10 0.00 0.00 179.97 180.28 2ost s LEU 33 N -5.51 3.31 0.05 0.08 1.43 -1.26 -4.98 118.68 111.80 2ost s LEU 33 Ca 0.06 1.40 0.26 0.00 -1.03 0.00 0.00 54.13 54.82 2ost s LEU 33 Cb 0.08 -4.43 1.05 0.00 0.03 0.00 0.00 46.19 42.92 2ost s LEU 33 CO 0.69 -0.81 1.82 -1.54 0.23 0.00 0.00 176.35 176.73 2ost n SER 34 N -2.57 0.19 -4.19 2.29 3.41 -1.26 -4.83 113.62 106.67 2ost n SER 34 Ca 0.06 0.52 -0.20 0.00 -0.26 0.00 0.00 58.87 58.99 2ost n SER 34 Cb 0.54 -0.57 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 2ost n SER 34 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2ost s TYR 35 N -3.04 1.36 -0.05 7.33 1.13 -1.26 -4.85 117.35 117.98 2ost s TYR 35 Ca 0.12 -0.42 -0.09 0.00 -1.41 0.00 0.00 57.07 55.26 2ost s TYR 35 Cb 0.16 -0.77 -0.30 0.00 -1.10 0.00 0.00 41.96 39.95 2ost s TYR 35 CO 0.50 0.08 0.67 -0.44 -2.51 0.00 0.00 175.55 173.85 2ost h ASP 36 N 4.44 0.57 -4.44 -0.18 3.32 -1.75 -3.47 116.42 114.89 2ost h ASP 36 Ca -0.41 -0.87 -0.30 0.00 0.02 0.00 0.00 57.03 55.47 2ost h ASP 36 Cb 1.18 -0.18 -0.15 0.00 0.22 0.00 0.00 39.33 40.40 2ost h ASP 36 CO 0.41 1.74 -0.66 -0.76 -1.72 0.00 0.00 179.24 178.25 2ost s LEU 37 N -7.22 2.13 -0.03 1.55 1.02 0.10 -4.41 118.68 111.83 2ost s LEU 37 Ca -0.15 -1.17 0.00 0.00 0.02 0.00 0.00 54.13 52.83 2ost s LEU 37 Cb 0.06 -0.08 0.03 0.00 0.02 0.00 0.00 46.19 46.22 2ost s LEU 37 CO 0.85 -0.56 0.02 0.54 0.02 0.00 0.00 176.35 177.22 2ost s VAL 38 N -3.63 0.08 -0.15 -1.59 0.11 -0.87 -0.18 120.40 114.16 2ost s VAL 38 Ca 0.24 0.16 -0.10 0.00 -2.93 0.00 0.00 61.98 59.35 2ost s VAL 38 Cb 0.06 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.66 2ost s VAL 38 CO 0.04 0.13 0.19 -0.36 -3.33 0.00 0.00 175.10 171.77 2ost s PHE 39 N 1.16 3.50 -0.89 1.54 0.08 -0.51 -0.37 117.98 122.48 2ost s PHE 39 Ca -0.08 0.50 -0.17 0.00 0.12 0.00 0.00 56.93 57.29 2ost s PHE 39 Cb -0.13 -2.15 0.16 0.00 -0.57 0.00 0.00 43.02 40.32 2ost s PHE 39 CO -0.02 0.43 1.01 0.34 -0.10 0.00 0.00 175.22 176.88 2ost s ASP 40 N -0.11 6.67 -0.87 1.36 3.68 0.21 -1.32 116.67 126.28 2ost s ASP 40 Ca 0.13 -2.24 -0.21 0.00 2.13 0.00 0.00 52.55 52.36 2ost s ASP 40 Cb -0.12 -2.34 0.09 0.00 -1.45 0.00 0.00 42.92 39.10 2ost s ASP 40 CO 0.02 -0.91 1.16 -0.69 0.13 0.00 0.00 175.17 174.88 2ost s VAL 41 N 1.91 4.41 -1.43 1.11 1.01 -0.21 -1.55 120.40 125.65 2ost s VAL 41 Ca 0.28 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 2ost s VAL 41 Cb -0.07 -4.82 0.04 0.00 0.00 0.00 0.00 36.38 31.53 2ost s VAL 41 CO -0.09 -1.60 0.72 -0.62 0.00 0.00 0.00 175.10 173.50 2ost n GLU 42 N 7.47 -4.53 0.00 2.72 1.02 -1.26 -2.10 120.64 123.97 2ost n GLU 42 Ca 0.18 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 2ost n GLU 42 Cb 0.49 -5.10 0.00 0.00 -0.02 0.00 0.00 31.44 26.81 2ost n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ost n GLY 43 N -1.69 3.10 3.69 0.62 0.00 -1.26 -5.04 105.19 104.60 2ost n GLY 43 Ca -0.17 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2ost n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ost s ILE 44 N -0.67 4.64 -0.21 -0.61 1.09 -0.89 -5.01 121.20 119.54 2ost s ILE 44 Ca 0.00 1.92 -0.17 0.00 -1.10 0.00 0.00 60.65 61.30 2ost s ILE 44 Cb 0.00 -4.23 -0.04 0.00 -1.06 0.00 0.00 42.46 37.13 2ost s ILE 44 CO 0.00 0.02 0.44 -0.76 -0.10 0.00 0.00 174.94 174.54 2ost s LEU 45 N 1.95 4.13 -0.13 2.97 1.43 -1.26 -1.04 118.68 126.73 2ost s LEU 45 Ca 0.51 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 54.18 2ost s LEU 45 Cb -0.20 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.45 2ost s LEU 45 CO 0.20 -0.14 -0.22 -0.76 0.23 0.00 0.00 176.35 175.66 2ost s LEU 46 N 1.59 2.09 0.15 1.79 1.02 -0.44 -4.96 118.68 119.92 2ost s LEU 46 Ca 0.20 -0.59 -0.30 0.00 0.02 0.00 0.00 54.13 53.46 2ost s LEU 46 Cb -0.15 -1.43 -0.07 0.00 0.02 0.00 0.00 46.19 44.56 2ost s LEU 46 CO 0.09 0.09 1.13 -0.54 0.02 0.00 0.00 176.35 177.14 2ost s LYS 47 N 0.74 4.54 -0.03 1.70 1.02 -1.26 -1.42 119.74 125.03 2ost s LYS 47 Ca -0.09 1.75 0.00 0.00 0.02 0.00 0.00 55.97 57.65 2ost s LYS 47 Cb -0.16 -3.29 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2ost s LYS 47 CO -0.00 -0.02 -0.00 0.54 -0.92 0.00 0.00 175.35 174.94 2ost s VAL 48 N 0.08 0.20 -0.19 3.17 0.11 0.74 -1.38 120.40 123.14 2ost s VAL 48 Ca 0.52 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.53 2ost s VAL 48 Cb -0.30 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 2ost s VAL 48 CO 0.34 0.15 0.17 -1.58 -3.33 0.00 0.00 175.10 170.84 2ost s GLN 49 N 1.00 4.17 -0.10 1.54 2.00 -0.18 -0.72 119.66 127.36 2ost s GLN 49 Ca -0.10 -0.15 -0.13 0.00 -2.00 0.00 0.00 55.36 52.99 2ost s GLN 49 Cb -0.14 -3.41 -0.05 0.00 0.80 0.00 0.00 33.01 30.22 2ost s GLN 49 CO -0.02 0.31 0.30 0.08 -0.50 0.00 0.00 175.29 175.46 2ost s VAL 50 N 0.31 5.26 0.01 1.34 1.01 -1.26 -1.34 120.40 125.72 2ost s VAL 50 Ca 0.10 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.68 2ost s VAL 50 Cb -0.11 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2ost s VAL 50 CO -0.00 0.50 -0.07 -0.54 0.00 0.00 0.00 175.10 174.99 2ost s LYS 51 N -0.35 0.52 0.08 2.72 3.01 0.58 -4.93 119.74 121.38 2ost s LYS 51 Ca 0.19 -0.34 0.05 0.00 -1.01 0.00 0.00 55.97 54.86 2ost s LYS 51 Cb -0.14 -0.47 -0.04 0.00 -1.01 0.00 0.00 37.83 36.17 2ost s LYS 51 CO 0.07 0.12 -0.05 -1.54 0.51 0.00 0.00 175.35 174.46 2ost s SER 52 N -0.45 4.73 0.18 2.83 1.04 -1.26 -0.19 113.70 120.58 2ost s SER 52 Ca 0.00 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.22 2ost s SER 52 Cb -0.04 -1.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.00 2ost s SER 52 CO -0.00 0.19 0.26 -0.94 0.98 0.00 0.00 173.24 173.74 2ost s SER 53 N -2.15 6.09 0.10 7.02 1.04 0.27 -4.77 113.70 121.30 2ost s SER 53 Ca 0.23 0.04 0.10 0.00 0.48 0.00 0.00 55.95 56.80 2ost s SER 53 Cb -0.11 -1.75 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 2ost s SER 53 CO 0.15 0.02 -0.24 -1.66 0.98 0.00 0.00 173.24 172.48 2ost s TRP 54 N -1.84 2.38 0.30 5.02 -2.14 -0.61 -4.79 118.94 117.25 2ost s TRP 54 Ca 0.34 -0.36 0.03 0.00 2.66 0.00 0.00 56.10 58.77 2ost s TRP 54 Cb -0.10 -1.32 0.49 0.00 -3.10 0.00 0.00 33.47 29.44 2ost s TRP 54 CO 0.27 0.29 1.80 -0.22 -2.66 0.00 0.00 176.95 176.43 2ost h LYS 55 N 4.12 0.54 -2.51 3.25 3.64 -1.88 -1.56 116.57 122.17 2ost h LYS 55 Ca -0.49 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 2ost h LYS 55 Cb 1.16 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2ost h LYS 55 CO 0.42 0.64 -0.63 -1.13 -2.27 0.00 0.00 179.45 176.48 2ost n SER 56 N -4.20 -5.95 0.00 4.20 3.41 -1.26 -4.21 113.62 105.61 2ost n SER 56 Ca 0.01 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 2ost n SER 56 Cb 0.32 -3.00 0.00 0.00 -0.26 0.00 0.00 64.21 61.27 2ost n SER 56 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2ost n GLU 57 N -1.49 0.00 0.00 4.33 4.07 -1.26 -3.16 120.64 123.13 2ost n GLU 57 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2ost n GLU 57 Cb 0.14 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.52 2ost n GLU 57 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2ost n LYS 58 N 10.23 0.00 0.00 5.31 4.76 -1.26 -4.94 118.16 132.26 2ost n LYS 58 Ca 0.00 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 55.88 2ost n LYS 58 Cb 0.00 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 2ost n LYS 58 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2ost n THR 59 N -1.80 0.00 -0.43 -0.18 5.66 -1.19 -4.97 114.28 111.37 2ost n THR 59 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2ost n THR 59 Cb 0.00 0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 2ost n THR 59 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ost n GLY 60 N 0.00 0.77 3.37 1.09 0.00 -1.26 -5.06 105.19 104.10 2ost n GLY 60 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2ost n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ost s ASN 61 N -2.29 -0.40 0.30 1.61 4.22 -1.26 -4.37 114.94 112.75 2ost s ASN 61 Ca 0.00 0.30 0.07 0.00 -2.14 0.00 0.00 52.86 51.09 2ost s ASN 61 Cb 0.00 0.43 -0.03 0.00 1.28 0.00 0.00 41.25 42.93 2ost s ASN 61 CO 0.00 -0.57 0.32 -0.31 -2.04 0.00 0.00 177.10 174.50 2ost s TYR 62 N -1.60 3.10 0.01 1.54 2.02 0.09 -4.42 117.35 118.09 2ost s TYR 62 Ca -0.10 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 2ost s TYR 62 Cb -0.02 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 2ost s TYR 62 CO 0.04 0.28 -0.03 0.08 -1.57 0.00 0.00 175.55 174.35 2ost s VAL 63 N -2.17 0.25 0.03 0.71 1.01 -0.59 -0.40 120.40 119.24 2ost s VAL 63 Ca 0.38 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2ost s VAL 63 Cb -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 2ost s VAL 63 CO 0.28 -0.07 -0.06 0.54 0.00 0.00 0.00 175.10 175.79 2ost s VAL 64 N -0.42 0.38 0.25 2.92 0.11 -0.77 -1.58 120.40 121.29 2ost s VAL 64 Ca -0.03 -0.89 0.12 0.00 -2.93 0.00 0.00 61.98 58.25 2ost s VAL 64 Cb -0.03 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 2ost s VAL 64 CO -0.00 -0.34 -0.21 1.51 -3.33 0.00 0.00 175.10 172.72 2ost s ASP 65 N -1.32 3.54 -0.24 3.54 1.47 -1.26 -0.36 116.67 122.05 2ost s ASP 65 Ca -0.10 -0.97 0.01 0.00 1.18 0.00 0.00 52.55 52.67 2ost s ASP 65 Cb -0.09 -0.29 0.06 0.00 -0.34 0.00 0.00 42.92 42.27 2ost s ASP 65 CO -0.00 0.07 -0.04 0.54 0.68 0.00 0.00 175.17 176.42 2ost s ASN 66 N -3.21 3.89 -0.54 2.11 2.20 -1.26 -5.02 114.94 113.11 2ost s ASN 66 Ca 0.27 -1.25 0.01 0.00 -0.94 0.00 0.00 52.86 50.95 2ost s ASN 66 Cb -0.06 -1.17 0.14 0.00 -2.00 0.00 0.00 41.25 38.15 2ost s ASN 66 CO 0.13 -0.25 0.31 -0.60 -2.94 0.00 0.00 177.10 173.75 2ost s ARG 67 N 1.39 2.16 0.00 3.55 3.52 -1.26 -4.89 118.95 123.41 2ost s ARG 67 Ca -0.04 -2.50 0.27 0.00 -0.13 0.00 0.00 55.73 53.33 2ost s ARG 67 Cb -0.19 -3.48 0.96 0.00 -1.56 0.00 0.00 34.95 30.68 2ost s ARG 67 CO -0.07 -1.12 1.69 2.89 -0.81 0.00 0.00 175.30 177.88 2ost n ARG 68 N 3.40 0.71 0.05 5.12 0.00 -1.26 -3.88 116.66 120.80 2ost n ARG 68 Ca 0.06 -0.35 -0.13 0.00 -0.00 0.00 0.00 57.85 57.43 2ost n ARG 68 Cb 0.35 -1.49 -0.03 0.00 -0.00 0.00 0.00 32.46 31.29 2ost n ARG 68 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2ost h THR 69 N 0.84 1.38 -0.51 8.89 2.02 -2.07 -2.22 112.91 121.25 2ost h THR 69 Ca 0.00 -2.31 -0.37 0.00 0.77 0.00 0.00 66.41 64.50 2ost h THR 69 Cb 0.44 2.30 -0.33 0.00 -1.74 0.00 0.00 68.15 68.82 2ost h THR 69 CO 0.00 0.70 -0.80 0.54 0.37 0.00 0.00 175.52 176.33 2ost n ARG 70 N -3.79 2.74 0.00 6.66 5.12 -1.25 -5.18 116.66 120.96 2ost n ARG 70 Ca -0.06 -3.79 0.00 0.00 -1.93 0.00 0.00 57.85 52.07 2ost n ARG 70 Cb 0.80 -1.93 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 2ost n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ost n GLY 83 N -0.73 0.72 3.36 -0.13 0.00 -0.84 -5.14 105.19 102.43 2ost n GLY 83 Ca 0.32 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 2ost n GLY 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ost s ASN 84 N 0.00 2.12 -0.21 1.61 2.47 -1.26 -4.55 114.94 115.13 2ost s ASN 84 Ca 0.00 -1.78 -0.01 0.00 0.42 0.00 0.00 52.86 51.50 2ost s ASN 84 Cb 0.00 0.59 0.00 0.00 -1.45 0.00 0.00 41.25 40.39 2ost s ASN 84 CO 0.00 -1.06 0.01 0.47 -3.72 0.00 0.00 177.10 172.81 2ost n ASP 85 N -1.60 -5.77 0.00 -4.21 10.43 -1.26 -4.82 116.55 109.32 2ost n ASP 85 Ca 0.04 1.00 0.00 0.00 2.57 0.00 0.00 54.79 58.40 2ost n ASP 85 Cb 0.63 -4.04 0.00 0.00 1.84 0.00 0.00 41.12 39.55 2ost n ASP 85 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 2ost n PHE 86 N 0.55 0.00 0.00 1.24 1.16 -1.26 -4.76 117.46 114.39 2ost n PHE 86 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 2ost n PHE 86 Cb 0.04 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.91 2ost n PHE 86 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 2ost n ASP 87 N 0.00 0.38 -3.91 5.98 8.00 -0.48 -4.85 116.55 121.68 2ost n ASP 87 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 2ost n ASP 87 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 2ost n ASP 87 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2ost s PHE 88 N -1.61 0.27 -0.15 1.24 0.40 -0.84 -0.90 117.98 116.39 2ost s PHE 88 Ca 0.00 -0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.25 2ost s PHE 88 Cb 0.00 -0.20 -0.03 0.00 0.51 0.00 0.00 43.02 43.30 2ost s PHE 88 CO 0.00 -0.02 -0.04 0.00 0.70 0.00 0.00 175.22 175.85 2ost s ALA 89 N 0.09 2.98 -0.24 5.36 0.00 0.16 -1.02 121.76 129.08 2ost s ALA 89 Ca -0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 2ost s ALA 89 Cb -0.03 -1.53 0.02 0.00 0.00 0.00 0.00 23.12 21.58 2ost s ALA 89 CO -0.00 0.23 -0.05 0.14 0.00 0.00 0.00 175.76 176.08 2ost s VAL 90 N 0.32 3.09 -0.08 0.00 -7.23 -0.45 0.04 120.40 116.09 2ost s VAL 90 Ca -0.04 -0.85 -0.13 0.00 -1.81 0.00 0.00 61.98 59.14 2ost s VAL 90 Cb -0.14 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 2ost s VAL 90 CO 0.03 0.25 0.33 0.00 -0.31 0.00 0.00 175.10 175.41 2ost s ALA 91 N 1.38 3.67 -0.10 1.32 0.00 0.39 -0.31 121.76 128.12 2ost s ALA 91 Ca 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2ost s ALA 91 Cb -0.16 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 2ost s ALA 91 CO -0.04 0.33 -0.11 -0.47 0.00 0.00 0.00 175.76 175.47 2ost s TYR 92 N -0.40 2.82 -0.36 0.00 6.04 0.73 -1.30 117.35 124.88 2ost s TYR 92 Ca 0.20 -0.34 -0.06 0.00 0.04 0.00 0.00 57.07 56.91 2ost s TYR 92 Cb -0.15 -1.77 0.06 0.00 -1.04 0.00 0.00 41.96 39.07 2ost s TYR 92 CO 0.08 0.02 0.13 0.08 -1.54 0.00 0.00 175.55 174.33 2ost s VAL 93 N -0.18 3.65 0.25 3.14 1.01 -0.65 -0.56 120.40 127.05 2ost s VAL 93 Ca 0.01 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 60.56 2ost s VAL 93 Cb -0.13 -3.18 0.24 0.00 0.00 0.00 0.00 36.38 33.31 2ost s VAL 93 CO 0.03 -0.32 1.86 -0.33 0.00 0.00 0.00 175.10 176.34 2ost h GLU 94 N 8.19 1.00 -0.40 2.72 5.08 -1.87 -1.18 114.58 128.13 2ost h GLU 94 Ca -0.21 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 2ost h GLU 94 Cb 1.07 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2ost h GLU 94 CO 0.64 0.66 -0.22 0.93 -1.00 0.00 0.00 179.01 180.02 2ost h GLU 95 N 1.04 0.86 -0.53 2.33 3.07 -1.97 -3.04 114.58 116.33 2ost h GLU 95 Ca 0.41 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2ost h GLU 95 Cb 0.21 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2ost h GLU 95 CO -0.19 1.03 0.00 1.28 -1.40 0.00 0.00 179.01 179.73 2ost n LEU 96 N -4.20 3.58 -4.10 1.33 4.32 -1.19 -4.97 117.00 111.78 2ost n LEU 96 Ca -0.02 -1.78 -0.34 0.00 -0.02 0.00 0.00 56.01 53.85 2ost n LEU 96 Cb 0.45 -0.35 -0.03 0.00 -1.62 0.00 0.00 43.42 41.87 2ost n LEU 96 CO 0.45 0.85 -0.04 -0.62 -1.22 0.00 0.00 177.39 176.81 2ost n GLU 97 N 1.42 -2.93 -4.40 3.23 1.02 -0.46 -4.95 120.64 113.58 2ost n GLU 97 Ca 0.20 0.35 -0.22 0.00 -0.02 0.00 0.00 57.16 57.47 2ost n GLU 97 Cb 0.58 -5.06 -0.10 0.00 -0.02 0.00 0.00 31.44 26.84 2ost n GLU 97 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2ost s LEU 98 N -7.10 2.54 -0.02 -4.62 0.05 -1.14 -4.99 118.68 103.40 2ost s LEU 98 Ca 0.69 -0.98 0.08 0.00 0.05 0.00 0.00 54.13 53.97 2ost s LEU 98 Cb -0.38 -0.92 -0.02 0.00 -2.05 0.00 0.00 46.19 42.82 2ost s LEU 98 CO 0.85 -0.03 -0.26 -0.36 -0.55 0.00 0.00 176.35 176.00 2ost s PHE 99 N -2.49 2.34 -0.19 3.48 0.40 -1.26 -1.64 117.98 118.61 2ost s PHE 99 Ca 0.24 -0.46 -0.07 0.00 -0.60 0.00 0.00 56.93 56.03 2ost s PHE 99 Cb -0.04 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 2ost s PHE 99 CO 0.10 -0.06 0.05 0.71 0.70 0.00 0.00 175.22 176.73 2ost s TYR 100 N -0.57 3.22 -0.26 0.36 1.51 -0.42 0.04 117.35 121.22 2ost s TYR 100 Ca 0.09 0.00 -0.02 0.00 -1.01 0.00 0.00 57.07 56.13 2ost s TYR 100 Cb -0.10 -2.08 0.03 0.00 -0.11 0.00 0.00 41.96 39.69 2ost s TYR 100 CO -0.01 0.09 -0.04 0.54 -1.11 0.00 0.00 175.55 175.03 2ost s VAL 101 N 0.48 2.95 -0.11 0.71 0.11 -0.29 -0.47 120.40 123.78 2ost s VAL 101 Ca 0.03 -1.08 -0.01 0.00 -2.93 0.00 0.00 61.98 57.98 2ost s VAL 101 Cb -0.13 -2.54 -0.03 0.00 -1.53 0.00 0.00 36.38 32.15 2ost s VAL 101 CO 0.01 0.13 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.49 2ost s PHE 102 N 1.32 2.97 0.63 1.54 0.40 0.11 -4.69 117.98 120.25 2ost s PHE 102 Ca -0.01 -0.18 -0.16 0.00 -0.60 0.00 0.00 56.93 55.98 2ost s PHE 102 Cb -0.17 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 2ost s PHE 102 CO -0.03 0.12 1.10 -2.14 0.70 0.00 0.00 175.22 174.97 2ost s PRO 103 N -0.18 3.00 0.10 0.24 0.02 -1.26 0.37 135.00 137.29 2ost s PRO 103 Ca 0.03 1.39 -0.21 0.00 0.02 0.00 0.00 61.00 62.23 2ost s PRO 103 Cb -0.13 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.36 2ost s PRO 103 CO 0.03 -1.09 1.35 -0.39 -0.33 0.00 0.00 177.00 176.57 2ost h VAL 104 N 0.31 0.00 -0.66 3.83 -1.51 -1.37 -0.49 116.25 116.35 2ost h VAL 104 Ca -0.47 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.03 2ost h VAL 104 Cb 1.24 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 30.36 2ost h VAL 104 CO 0.55 0.00 0.41 -2.24 -1.23 0.00 0.00 177.57 175.06 2ost h ASP 105 N -0.04 0.67 -0.60 4.19 2.03 -1.94 -0.21 116.42 120.52 2ost h ASP 105 Ca 0.10 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.36 2ost h ASP 105 Cb 0.29 -0.14 -0.03 0.00 -0.83 0.00 0.00 39.33 38.62 2ost h ASP 105 CO -0.58 0.46 0.23 0.58 -1.03 0.00 0.00 179.24 178.89 2ost h VAL 106 N 0.80 1.23 -0.21 4.15 2.07 -1.86 -0.92 116.25 121.51 2ost h VAL 106 Ca 0.27 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 2ost h VAL 106 Cb 0.03 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2ost h VAL 106 CO -0.11 0.30 -0.19 0.15 0.02 0.00 0.00 177.57 177.74 2ost h PHE 107 N 0.92 0.59 0.00 1.57 3.57 -0.04 -3.17 116.94 120.39 2ost h PHE 107 Ca 0.21 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2ost h PHE 107 Cb 0.22 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2ost h PHE 107 CO 0.02 0.83 -0.31 -0.84 -2.23 0.00 0.00 178.31 175.78 2ost h ILE 108 N 0.18 0.68 0.00 1.41 -0.00 -1.00 -3.18 117.51 115.59 2ost h ILE 108 Ca 0.04 -1.45 0.00 0.00 -0.00 0.00 0.00 64.86 63.44 2ost h ILE 108 Cb 0.73 1.96 0.00 0.00 -0.00 0.00 0.00 36.82 39.50 2ost h ILE 108 CO 0.05 0.31 0.00 -1.54 -0.00 0.00 0.00 178.15 176.96 2ost n SER 109 N -3.38 0.28 -4.76 2.16 3.41 -0.36 -4.62 113.62 106.36 2ost n SER 109 Ca 0.01 0.57 -0.39 0.00 -0.26 0.00 0.00 58.87 58.79 2ost n SER 109 Cb 0.52 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 2ost n SER 109 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2ost s TYR 110 N -3.14 3.89 0.00 7.33 2.02 -1.21 -5.05 117.35 121.20 2ost s TYR 110 Ca 0.05 1.87 0.00 0.00 -0.37 0.00 0.00 57.07 58.63 2ost s TYR 110 Cb 0.09 -3.00 0.00 0.00 -0.40 0.00 0.00 41.96 38.65 2ost s TYR 110 CO 0.31 0.31 0.00 0.41 -1.57 0.00 0.00 175.55 175.00 2ost n GLY 111 N 1.28 -0.44 0.00 0.71 0.00 -1.26 -4.98 105.19 100.50 2ost n GLY 111 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2ost n GLY 111 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ost n SER 112 N 0.00 0.00 -4.81 1.61 2.88 -1.26 -4.90 113.62 107.15 2ost n SER 112 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 2ost n SER 112 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2ost n SER 112 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2ost s GLU 113 N 0.53 3.24 -0.23 -1.46 2.02 -1.26 -4.33 118.70 117.21 2ost s GLU 113 Ca 0.00 1.15 -0.02 0.00 0.02 0.00 0.00 54.97 56.12 2ost s GLU 113 Cb 0.00 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.22 2ost s GLU 113 CO 0.00 -0.87 -0.07 0.42 0.02 0.00 0.00 175.26 174.76 2ost s ILE 114 N -2.57 2.94 -0.07 -1.63 1.01 0.52 -4.98 121.20 116.42 2ost s ILE 114 Ca 0.62 -0.83 -0.26 0.00 0.00 0.00 0.00 60.65 60.18 2ost s ILE 114 Cb -0.16 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 2ost s ILE 114 CO 0.40 0.32 0.84 -1.00 0.00 0.00 0.00 174.94 175.51 2ost s HIS 115 N 1.37 3.57 -0.14 3.97 3.76 -1.26 -1.84 115.29 124.72 2ost s HIS 115 Ca 0.03 1.43 -0.01 0.00 -0.15 0.00 0.00 55.06 56.35 2ost s HIS 115 Cb -0.15 -2.98 -0.02 0.00 1.11 0.00 0.00 32.58 30.54 2ost s HIS 115 CO -0.05 -0.03 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.20 2ost s LEU 116 N 1.23 2.93 -0.21 0.89 1.43 0.47 -4.68 118.68 120.73 2ost s LEU 116 Ca 0.43 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2ost s LEU 116 Cb -0.19 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.40 2ost s LEU 116 CO 0.20 0.17 -0.10 -0.69 0.23 0.00 0.00 176.35 176.17 2ost s VAL 117 N 0.33 1.71 0.00 -1.59 1.01 -1.26 -0.73 120.40 119.86 2ost s VAL 117 Ca -0.08 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.77 2ost s VAL 117 Cb -0.15 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2ost s VAL 117 CO 0.05 0.10 0.00 -0.62 0.00 0.00 0.00 175.10 174.63 2ost n GLU 118 N 4.64 0.00 -0.48 2.72 -0.58 -1.26 -4.99 120.64 120.69 2ost n GLU 118 Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2ost n GLU 118 Cb 0.46 -0.25 0.00 0.00 -0.57 0.00 0.00 31.44 31.08 2ost n GLU 118 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2ost n THR 119 N -0.46 0.00 -1.99 2.62 5.66 -1.26 -4.41 114.28 114.44 2ost n THR 119 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 2ost n THR 119 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 2ost n THR 119 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2ost n ASP 120 N -3.58 7.56 0.00 1.09 8.00 -1.26 -5.01 116.55 123.35 2ost n ASP 120 Ca 0.00 -3.29 0.00 0.00 0.71 0.00 0.00 54.79 52.21 2ost n ASP 120 Cb 0.36 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 2ost n ASP 120 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ost n LYS 121 N 1.10 0.00 -1.18 -1.24 4.01 -1.26 -4.94 118.16 114.65 2ost n LYS 121 Ca 0.56 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 58.30 2ost n LYS 121 Cb 0.31 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.81 2ost n LYS 121 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2ost n ARG 122 N 0.00 -0.42 -4.12 1.97 5.12 -1.26 -5.03 116.66 112.92 2ost n ARG 122 Ca 0.00 0.71 -0.12 0.00 -1.93 0.00 0.00 57.85 56.51 2ost n ARG 122 Cb 0.00 -4.47 -0.07 0.00 -1.16 0.00 0.00 32.46 26.76 2ost n ARG 122 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2ost s GLN 123 N -2.52 1.47 0.04 5.56 0.00 -1.26 -5.13 119.66 117.81 2ost s GLN 123 Ca 0.00 -1.54 -0.30 0.00 -0.00 0.00 0.00 55.36 53.51 2ost s GLN 123 Cb 0.00 0.37 -0.07 0.00 0.00 0.00 0.00 33.01 33.31 2ost s GLN 123 CO 0.00 -0.56 1.49 0.50 0.00 0.00 0.00 175.29 176.73 2ost s ARG 124 N -3.90 4.25 0.30 9.60 3.52 -1.26 -5.02 118.95 126.44 2ost s ARG 124 Ca 0.32 2.11 -0.07 0.00 -0.13 0.00 0.00 55.73 57.96 2ost s ARG 124 Cb 0.03 -3.55 -0.06 0.00 -1.56 0.00 0.00 34.95 29.81 2ost s ARG 124 CO 0.13 -0.62 0.60 0.15 -0.81 0.00 0.00 175.30 174.75 2ost s LYS 125 N 2.38 3.70 1.19 5.12 3.01 -1.26 -5.09 119.74 128.79 2ost s LYS 125 Ca 0.68 0.16 -0.13 0.00 -1.01 0.00 0.00 55.97 55.67 2ost s LYS 125 Cb -0.35 -2.59 0.29 0.00 -1.01 0.00 0.00 37.83 34.17 2ost s LYS 125 CO 0.29 0.18 0.98 -2.30 0.51 0.00 0.00 175.35 175.01 2ost n PRO 126 N -0.85 -2.53 -0.14 -1.68 -0.02 -1.26 -4.91 135.00 123.61 2ost n PRO 126 Ca -0.00 -0.71 0.07 0.00 -2.02 0.00 0.00 63.50 60.84 2ost n PRO 126 Cb 0.54 -2.15 0.39 0.00 -0.02 0.00 0.00 33.50 32.26 2ost n PRO 126 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2ost h ARG 127 N -2.71 0.64 -0.04 -0.52 2.43 -1.98 -2.76 114.38 109.43 2ost h ARG 127 Ca -0.62 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.47 2ost h ARG 127 Cb 1.34 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2ost h ARG 127 CO 0.49 0.42 -0.17 0.66 -1.51 0.00 0.00 179.97 179.87 2ost h SER 128 N 0.66 0.06 -0.81 -3.80 4.64 -1.91 -3.22 113.55 109.17 2ost h SER 128 Ca 0.29 -0.01 0.20 0.00 -0.47 0.00 0.00 61.79 61.80 2ost h SER 128 Cb 0.30 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 2ost h SER 128 CO -0.09 0.24 0.56 0.15 -0.87 0.00 0.00 176.83 176.81 2ost h PHE 129 N 0.07 0.34 0.00 4.77 3.04 -1.81 0.18 116.94 123.53 2ost h PHE 129 Ca 0.01 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2ost h PHE 129 Cb 0.34 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.74 2ost h PHE 129 CO 0.00 0.10 0.00 0.41 -2.02 0.00 0.00 178.31 176.80 2ost n GLY 130 N -1.58 -0.76 0.61 2.40 0.00 -1.21 -2.45 105.19 102.20 2ost n GLY 130 Ca 0.17 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.14 2ost n GLY 130 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ost n TYR 131 N -1.16 0.49 -2.24 1.61 4.02 0.64 -4.85 117.16 115.67 2ost n TYR 131 Ca 0.11 -0.57 -0.43 0.00 -0.01 0.00 0.00 57.90 57.01 2ost n TYR 131 Cb 0.11 -0.08 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 2ost n TYR 131 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2ost s ARG 132 N -1.32 3.99 -1.77 -0.72 3.00 -1.03 -1.14 118.95 119.97 2ost s ARG 132 Ca 0.24 1.65 0.00 0.00 -1.00 0.00 0.00 55.73 56.63 2ost s ARG 132 Cb 0.15 -3.93 0.00 0.00 0.00 0.00 0.00 34.95 31.17 2ost s ARG 132 CO 0.13 -1.05 0.00 -1.91 0.00 0.00 0.00 175.30 172.47 2ost n GLU 133 N 7.25 -1.68 -1.12 5.12 4.07 0.11 -4.86 120.64 129.53 2ost n GLU 133 Ca 0.16 1.00 -0.21 0.00 -0.06 0.00 0.00 57.16 58.05 2ost n GLU 133 Cb 0.45 -5.57 -0.12 0.00 -0.06 0.00 0.00 31.44 26.14 2ost n GLU 133 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ost n ALA 134 N -1.11 6.76 0.42 4.31 0.00 -1.17 -4.57 120.51 125.15 2ost n ALA 134 Ca -0.22 -2.41 0.11 0.00 0.00 0.00 0.00 53.44 50.92 2ost n ALA 134 Cb 0.66 -2.64 0.46 0.00 0.00 0.00 0.00 19.45 17.93 2ost n ALA 134 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2ost n TRP 135 N 2.77 0.68 0.18 0.00 7.02 -1.26 -2.19 117.44 124.64 2ost n TRP 135 Ca 0.54 0.27 0.03 0.00 -1.02 0.00 0.00 57.50 57.32 2ost n TRP 135 Cb 0.69 -0.93 0.39 0.00 -2.42 0.00 0.00 31.31 29.04 2ost n TRP 135 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 2ost h HIS 136 N 0.00 0.06 -0.71 -5.99 2.07 -1.98 -2.47 115.15 106.13 2ost h HIS 136 Ca 0.00 -0.01 0.01 0.00 -2.85 0.00 0.00 60.37 57.52 2ost h HIS 136 Cb 0.35 -0.02 -0.03 0.00 2.57 0.00 0.00 27.41 30.28 2ost h HIS 136 CO 0.00 0.34 0.46 -0.07 -3.07 0.00 0.00 177.93 175.59 2ost h LEU 137 N 0.05 0.82 -0.47 6.12 3.38 -1.84 0.31 115.31 123.68 2ost h LEU 137 Ca 0.01 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2ost h LEU 137 Cb 0.53 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2ost h LEU 137 CO 0.04 0.59 -0.72 -0.29 0.09 0.00 0.00 178.44 178.16 2ost h ILE 138 N 0.96 1.41 -0.05 1.22 2.10 -1.71 -1.81 117.51 119.63 2ost h ILE 138 Ca 0.26 -2.20 -0.04 0.00 1.08 0.00 0.00 64.86 63.96 2ost h ILE 138 Cb -0.10 2.16 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 2ost h ILE 138 CO -0.06 0.65 -0.16 0.25 -1.08 0.00 0.00 178.15 177.75 2ost h LEU 139 N 0.19 0.07 0.22 2.19 7.12 -0.91 -2.82 115.31 121.37 2ost h LEU 139 Ca -0.02 -0.01 -0.34 0.00 0.13 0.00 0.00 57.88 57.63 2ost h LEU 139 Cb 1.28 -0.02 0.02 0.00 -0.53 0.00 0.00 40.66 41.41 2ost h LEU 139 CO 0.11 0.24 -1.57 1.56 -0.13 0.00 0.00 178.44 178.66 2ost h GLN 140 N 0.07 0.46 -0.69 1.25 4.20 -0.23 -3.23 115.11 116.95 2ost h GLN 140 Ca 0.01 -0.79 0.02 0.00 0.06 0.00 0.00 58.65 57.95 2ost h GLN 140 Cb 0.33 0.29 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 2ost h GLN 140 CO 0.02 1.37 0.45 -0.22 -0.67 0.00 0.00 178.83 179.79 2ost h LYS 141 N 0.13 0.87 -0.36 1.46 1.63 -1.24 -0.38 116.57 118.68 2ost h LYS 141 Ca -0.28 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.43 2ost h LYS 141 Cb 2.13 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 33.55 2ost h LYS 141 CO 0.23 0.58 0.08 0.78 -3.45 0.00 0.00 179.45 177.67 2ost h GLY 142 N 0.90 0.63 1.31 5.01 0.00 -1.60 -1.09 103.07 108.22 2ost h GLY 142 Ca 0.26 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 2ost h GLY 142 CO -0.06 0.37 -0.27 0.00 0.00 0.00 0.00 176.54 176.59 2ost h ALA 143 N 0.93 0.82 -0.46 3.60 0.00 -1.46 -2.38 119.26 120.31 2ost h ALA 143 Ca 0.11 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2ost h ALA 143 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ost h ALA 143 CO 0.00 0.64 -0.24 0.00 0.00 0.00 0.00 179.25 179.66 2ost h ALA 144 N 1.02 0.64 0.00 0.00 0.00 -1.04 -3.10 119.26 116.79 2ost h ALA 144 Ca 0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2ost h ALA 144 Cb 0.79 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2ost h ALA 144 CO 0.07 0.65 -0.09 0.37 0.00 0.00 0.00 179.25 180.25 2ost h GLN 145 N 0.81 0.00 -0.27 0.00 4.15 -1.15 -2.86 115.11 115.80 2ost h GLN 145 Ca 0.10 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.39 2ost h GLN 145 Cb 0.82 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 2ost h GLN 145 CO 0.07 0.09 -0.38 -0.22 -1.93 0.00 0.00 178.83 176.46 2ost h LYS 146 N 0.00 0.61 0.00 1.69 3.64 -1.35 -3.21 116.57 117.94 2ost h LYS 146 Ca -0.00 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.03 2ost h LYS 146 Cb 0.79 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2ost h LYS 146 CO 0.01 0.89 -0.33 0.93 -2.27 0.00 0.00 179.45 178.69 2ost h GLU 147 N 0.51 0.00 -2.59 1.90 5.08 -1.50 -3.29 114.58 114.69 2ost h GLU 147 Ca 0.05 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.65 2ost h GLU 147 Cb 0.88 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.98 2ost h GLU 147 CO 0.08 0.20 2.12 2.41 -1.00 0.00 0.00 179.01 182.81 2ost n THR 148 N -3.10 5.38 -1.18 1.13 -1.04 -1.11 -5.14 114.28 109.22 2ost n THR 148 Ca 0.02 -4.67 0.00 0.00 -2.04 0.00 0.00 64.05 57.36 2ost n THR 148 Cb 0.62 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 2ost n THR 148 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19