#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ost n GLY 1 N 0.00 0.88 0.00 -5.12 0.00 -1.26 -4.92 105.19 94.77 2ost n GLY 1 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 2ost n GLY 1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ost n SER 2 N 4.69 0.19 0.00 1.61 7.64 -1.26 -4.96 113.62 121.52 2ost n SER 2 Ca 0.23 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2ost n SER 2 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2ost n SER 2 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2ost n THR 3 N 0.00 0.00 -0.02 0.44 5.66 -1.26 -2.92 114.28 116.17 2ost n THR 3 Ca 0.00 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.18 2ost n THR 3 Cb 0.00 0.00 0.63 0.00 -1.55 0.00 0.00 70.33 69.41 2ost n THR 3 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2ost h LYS 4 N 0.00 0.11 0.18 1.09 1.57 -1.99 -0.45 116.57 117.09 2ost h LYS 4 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2ost h LYS 4 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2ost h LYS 4 CO 0.00 0.08 -0.09 1.25 -0.57 0.00 0.00 179.45 180.12 2ost h LEU 5 N 0.12 -0.21 -0.64 2.94 5.85 -1.90 0.81 115.31 122.29 2ost h LEU 5 Ca 0.26 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.03 2ost h LEU 5 Cb 0.87 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 2ost h LEU 5 CO -0.03 -0.14 0.36 0.50 -0.34 0.00 0.00 178.44 178.78 2ost h LYS 6 N -0.25 0.65 -0.61 1.25 3.64 -1.34 -0.79 116.57 119.13 2ost h LYS 6 Ca -0.03 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 2ost h LYS 6 Cb 0.19 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2ost h LYS 6 CO 0.04 0.43 0.24 0.78 -2.27 0.00 0.00 179.45 178.67 2ost h GLY 7 N 0.67 0.94 2.00 5.01 0.00 -1.21 -2.07 103.07 108.41 2ost h GLY 7 Ca 0.28 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 2ost h GLY 7 CO -0.17 0.45 -0.27 -0.55 0.00 0.00 0.00 176.54 176.01 2ost h ASP 8 N 0.87 0.00 -0.01 0.19 3.32 -0.01 -1.73 116.42 119.04 2ost h ASP 8 Ca 0.21 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 2ost h ASP 8 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2ost h ASP 8 CO -0.02 0.27 -0.11 0.40 -1.72 0.00 0.00 179.24 178.06 2ost h ILE 9 N 0.00 1.55 -0.90 0.35 2.04 -0.77 -2.12 117.51 117.65 2ost h ILE 9 Ca -0.00 -1.76 0.05 0.00 1.00 0.00 0.00 64.86 64.15 2ost h ILE 9 Cb 0.92 2.68 -0.06 0.00 -0.74 0.00 0.00 36.82 39.62 2ost h ILE 9 CO 0.03 0.47 0.57 0.00 0.00 0.00 0.00 178.15 179.23 2ost h ALA 10 N 0.30 1.21 -0.81 1.87 0.00 -1.38 0.12 119.26 120.57 2ost h ALA 10 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2ost h ALA 10 Cb 0.83 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2ost h ALA 10 CO 0.02 0.38 0.53 0.37 0.00 0.00 0.00 179.25 180.55 2ost h GLN 11 N 1.08 1.06 -0.12 0.00 4.15 -1.37 -2.01 115.11 117.89 2ost h GLN 11 Ca 0.37 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.62 2ost h GLN 11 Cb 0.09 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 2ost h GLN 11 CO -0.15 0.70 -0.41 0.37 -1.93 0.00 0.00 178.83 177.41 2ost h GLN 12 N 1.09 0.27 -0.32 1.69 5.75 -0.48 -1.48 115.11 121.65 2ost h GLN 12 Ca 0.30 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 2ost h GLN 12 Cb -0.13 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 2ost h GLN 12 CO -0.06 0.65 0.05 0.00 -2.65 0.00 0.00 178.83 176.82 2ost h ALA 13 N 1.34 0.42 -0.18 3.38 0.00 -0.48 -2.62 119.26 121.12 2ost h ALA 13 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2ost h ALA 13 Cb 0.83 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2ost h ALA 13 CO 0.07 0.11 0.03 0.00 0.00 0.00 0.00 179.25 179.46 2ost h ALA 14 N 0.89 1.71 -0.36 0.00 0.00 -1.11 -1.42 119.26 118.97 2ost h ALA 14 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ost h ALA 14 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2ost h ALA 14 CO 0.01 0.22 0.24 0.82 0.00 0.00 0.00 179.25 180.54 2ost h ILE 15 N 0.26 1.10 -0.12 0.00 1.08 -0.94 -2.30 117.51 116.59 2ost h ILE 15 Ca 0.06 -0.19 -0.22 0.00 -0.39 0.00 0.00 64.86 64.12 2ost h ILE 15 Cb 0.13 0.58 0.01 0.00 -3.07 0.00 0.00 36.82 34.47 2ost h ILE 15 CO -0.00 0.10 -0.81 0.24 -0.69 0.00 0.00 178.15 176.98 2ost h MET 16 N 0.49 0.72 0.16 2.37 2.86 -1.04 -2.43 114.93 118.05 2ost h MET 16 Ca 0.13 -0.61 0.02 0.00 -2.06 0.00 0.00 59.70 57.18 2ost h MET 16 Cb -0.05 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 2ost h MET 16 CO -0.03 1.22 -0.34 0.00 1.06 0.00 0.00 176.91 178.82 2ost h ARG 17 N 0.48 -0.58 -0.64 1.72 2.47 -1.27 -0.44 114.38 116.13 2ost h ARG 17 Ca -0.06 0.04 0.10 0.00 -1.26 0.00 0.00 59.98 58.80 2ost h ARG 17 Cb 1.44 0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 29.82 2ost h ARG 17 CO 0.16 -0.39 0.26 0.00 0.56 0.00 0.00 179.97 180.57 2ost h ALA 18 N -0.01 0.85 -0.72 0.04 0.00 -1.41 -1.71 119.26 116.29 2ost h ALA 18 Ca 0.02 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2ost h ALA 18 Cb 0.61 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2ost h ALA 18 CO -0.17 -0.16 0.27 -0.07 0.00 0.00 0.00 179.25 179.12 2ost h LEU 19 N 0.45 1.01 0.00 0.00 3.38 -1.24 -1.23 115.31 117.68 2ost h LEU 19 Ca 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2ost h LEU 19 Cb 0.39 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2ost h LEU 19 CO -0.30 0.92 0.00 0.29 0.09 0.00 0.00 178.44 179.43 2ost n LYS 20 N -4.33 0.01 -0.34 1.13 5.02 -0.19 -1.16 118.16 118.30 2ost n LYS 20 Ca 0.06 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 2ost n LYS 20 Cb 0.19 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 34.00 2ost n LYS 20 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2ost n MET 21 N -1.50 2.69 -1.10 1.97 2.81 -0.78 -4.96 117.12 116.26 2ost n MET 21 Ca 0.05 -2.59 -0.04 0.00 -1.81 0.00 0.00 57.70 53.32 2ost n MET 21 Cb 0.25 -1.56 -0.02 0.00 -0.71 0.00 0.00 33.22 31.19 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 1.61 0.65 3.90 3.03 0.00 -0.31 -5.03 105.19 109.04 2ost n GLY 22 Ca 0.23 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.03 3.55 0.42 1.61 0.51 -0.50 -4.95 118.94 117.55 2ost s TRP 23 Ca 0.00 0.90 -0.21 0.00 -2.12 0.00 0.00 56.10 54.67 2ost s TRP 23 Cb 0.00 -2.36 -0.11 0.00 -0.81 0.00 0.00 33.47 30.19 2ost s TRP 23 CO 0.00 -0.27 0.94 0.20 -0.51 0.00 0.00 176.95 177.31 2ost s GLY 24 N -3.90 2.40 -0.10 0.98 0.00 -0.32 -4.28 107.32 102.11 2ost s GLY 24 Ca 0.49 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.61 2ost s GLY 24 CO 0.42 0.66 -0.13 0.14 0.00 0.00 0.00 173.10 174.20 2ost s VAL 25 N -2.15 1.30 -0.15 1.40 1.01 -1.26 -0.79 120.40 119.76 2ost s VAL 25 Ca 0.61 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2ost s VAL 25 Cb -0.09 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2ost s VAL 25 CO 0.14 0.40 -0.18 -0.76 0.00 0.00 0.00 175.10 174.70 2ost s LEU 26 N 1.02 2.33 -0.14 3.92 1.43 0.17 -4.99 118.68 122.43 2ost s LEU 26 Ca -0.07 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.44 2ost s LEU 26 Cb -0.15 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2ost s LEU 26 CO -0.01 0.07 0.09 -0.54 0.23 0.00 0.00 176.35 176.19 2ost s LYS 27 N 0.87 3.55 0.52 1.70 1.02 -1.26 -1.95 119.74 124.19 2ost s LYS 27 Ca -0.05 -0.25 -0.05 0.00 0.02 0.00 0.00 55.97 55.64 2ost s LYS 27 Cb -0.15 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2ost s LYS 27 CO -0.02 0.59 0.82 -1.25 -0.92 0.00 0.00 175.35 174.57 2ost s PRO 28 N -0.51 3.29 0.00 -1.68 0.05 -1.26 -5.06 135.00 129.83 2ost s PRO 28 Ca 0.11 0.08 0.00 0.00 0.05 0.00 0.00 61.00 61.24 2ost s PRO 28 Cb -0.12 -2.35 0.00 0.00 0.05 0.00 0.00 34.50 32.08 2ost s PRO 28 CO 0.02 -0.38 0.01 1.47 0.05 0.00 0.00 177.00 178.17 2ost n LEU 29 N -2.36 0.00 0.00 -3.56 -0.00 -1.26 -4.93 117.00 104.89 2ost n LEU 29 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 2ost n LEU 29 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2ost n LEU 29 CO 0.53 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.53 2ost n GLY 30 N -0.11 3.13 2.54 1.47 0.00 -1.26 -5.06 105.19 105.90 2ost n GLY 30 Ca 0.00 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 2ost n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ost n ASP 31 N -1.74 6.17 0.00 1.61 10.43 -1.26 -4.10 116.55 127.66 2ost n ASP 31 Ca 0.00 -2.72 0.00 0.00 2.57 0.00 0.00 54.79 54.64 2ost n ASP 31 Cb 0.00 -1.61 0.00 0.00 1.84 0.00 0.00 41.12 41.35 2ost n ASP 31 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 2ost n ARG 32 N 4.89 3.74 -3.43 -1.24 1.85 -1.26 -5.08 116.66 116.13 2ost n ARG 32 Ca 0.64 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 57.25 2ost n ARG 32 Cb 0.32 -0.29 -0.02 0.00 -1.05 0.00 0.00 32.46 31.41 2ost n ARG 32 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2ost s LEU 33 N -1.11 4.05 0.00 2.89 1.43 -1.26 -4.99 118.68 119.70 2ost s LEU 33 Ca 0.00 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 2ost s LEU 33 Cb 0.00 -3.31 0.13 0.00 0.03 0.00 0.00 46.19 43.04 2ost s LEU 33 CO 0.00 -0.25 1.08 -1.54 0.23 0.00 0.00 176.35 175.88 2ost n SER 34 N -1.53 0.03 -3.93 2.29 3.41 -1.26 -4.77 113.62 107.85 2ost n SER 34 Ca -0.05 -1.94 -0.10 0.00 -0.26 0.00 0.00 58.87 56.53 2ost n SER 34 Cb 0.56 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.99 0.17 -0.15 7.33 1.13 -1.26 -4.67 117.35 117.90 2ost s TYR 35 Ca 0.03 -0.37 -0.02 0.00 -1.41 0.00 0.00 57.07 55.31 2ost s TYR 35 Cb 0.02 -0.13 -0.24 0.00 -1.10 0.00 0.00 41.96 40.51 2ost s TYR 35 CO 0.03 -0.24 0.23 -0.25 -2.51 0.00 0.00 175.55 172.80 2ost n ASP 36 N 1.47 1.91 -4.13 -0.18 8.00 -0.49 -4.97 116.55 118.17 2ost n ASP 36 Ca -0.23 0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.30 2ost n ASP 36 Cb 0.55 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.94 2ost n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ost s LEU 37 N -6.77 2.47 -0.11 0.64 1.02 -0.98 -4.44 118.68 110.52 2ost s LEU 37 Ca -0.24 -0.94 0.00 0.00 0.02 0.00 0.00 54.13 52.98 2ost s LEU 37 Cb 0.07 -0.01 0.02 0.00 0.02 0.00 0.00 46.19 46.30 2ost s LEU 37 CO 0.73 -0.46 -0.09 -0.69 0.02 0.00 0.00 176.35 175.86 2ost s VAL 38 N -3.37 1.06 -0.15 -1.59 1.01 -0.82 -0.51 120.40 116.02 2ost s VAL 38 Ca 0.07 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 2ost s VAL 38 Cb 0.04 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 2ost s VAL 38 CO -0.05 0.37 0.45 -0.36 0.00 0.00 0.00 175.10 175.51 2ost s PHE 39 N 1.53 3.46 -0.52 5.22 0.08 0.28 -0.66 117.98 127.37 2ost s PHE 39 Ca 0.02 0.79 -0.24 0.00 0.12 0.00 0.00 56.93 57.62 2ost s PHE 39 Cb -0.13 -2.54 0.04 0.00 -0.57 0.00 0.00 43.02 39.81 2ost s PHE 39 CO -0.06 0.10 0.93 0.34 -0.10 0.00 0.00 175.22 176.42 2ost s ASP 40 N 0.77 6.39 -0.32 1.36 3.68 0.03 -0.87 116.67 127.71 2ost s ASP 40 Ca 0.23 -0.21 -0.06 0.00 2.13 0.00 0.00 52.55 54.64 2ost s ASP 40 Cb -0.15 -2.44 0.03 0.00 -1.45 0.00 0.00 42.92 38.91 2ost s ASP 40 CO 0.09 -1.16 0.08 -0.69 0.13 0.00 0.00 175.17 173.62 2ost s VAL 41 N 3.86 3.76 -1.62 1.11 1.01 0.13 -1.17 120.40 127.47 2ost s VAL 41 Ca 0.32 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 2ost s VAL 41 Cb -0.12 -3.04 0.09 0.00 0.00 0.00 0.00 36.38 33.31 2ost s VAL 41 CO 0.21 -0.06 0.47 -0.62 0.00 0.00 0.00 175.10 175.11 2ost n GLU 42 N 4.81 -2.23 0.00 2.72 -0.58 -1.26 -1.08 120.64 123.03 2ost n GLU 42 Ca -0.13 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2ost n GLU 42 Cb 0.46 -4.52 0.00 0.00 -0.57 0.00 0.00 31.44 26.81 2ost n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ost n GLY 43 N -1.78 3.15 3.79 0.62 0.00 -1.26 -5.03 105.19 104.68 2ost n GLY 43 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.06 5.05 -0.21 -0.61 1.09 -0.24 -5.04 121.20 119.18 2ost s ILE 44 Ca 0.00 0.90 -0.14 0.00 -1.10 0.00 0.00 60.65 60.31 2ost s ILE 44 Cb 0.00 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 2ost s ILE 44 CO 0.00 0.49 0.32 -0.76 -0.10 0.00 0.00 174.94 174.90 2ost s LEU 45 N -0.51 4.15 0.01 2.97 1.43 -1.26 0.17 118.68 125.65 2ost s LEU 45 Ca 0.25 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.82 2ost s LEU 45 Cb -0.16 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2ost s LEU 45 CO 0.13 -0.02 -0.20 -0.76 0.23 0.00 0.00 176.35 175.73 2ost s LEU 46 N 1.14 2.09 -0.15 1.79 1.02 -0.05 -4.97 118.68 119.56 2ost s LEU 46 Ca 0.16 -0.42 -0.15 0.00 0.02 0.00 0.00 54.13 53.74 2ost s LEU 46 Cb -0.14 -0.97 -0.05 0.00 0.02 0.00 0.00 46.19 45.06 2ost s LEU 46 CO 0.06 0.20 0.35 -0.54 0.02 0.00 0.00 176.35 176.44 2ost s LYS 47 N -0.75 4.27 -0.01 1.70 1.02 -1.26 -0.55 119.74 124.16 2ost s LYS 47 Ca 0.07 0.20 0.07 0.00 0.02 0.00 0.00 55.97 56.33 2ost s LYS 47 Cb -0.08 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2ost s LYS 47 CO 0.00 0.23 -0.23 0.14 -0.92 0.00 0.00 175.35 174.57 2ost s VAL 48 N 0.48 2.32 -0.29 3.17 -7.23 0.33 -0.89 120.40 118.28 2ost s VAL 48 Ca 0.19 -1.09 -0.05 0.00 -1.81 0.00 0.00 61.98 59.22 2ost s VAL 48 Cb -0.14 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 34.97 2ost s VAL 48 CO 0.06 0.53 0.05 -1.58 -0.31 0.00 0.00 175.10 173.85 2ost s GLN 49 N -0.80 2.95 -0.06 4.82 2.00 0.67 -1.39 119.66 127.84 2ost s GLN 49 Ca 0.11 -0.94 -0.17 0.00 -2.00 0.00 0.00 55.36 52.36 2ost s GLN 49 Cb -0.10 -3.29 -0.05 0.00 0.80 0.00 0.00 33.01 30.37 2ost s GLN 49 CO 0.00 -0.47 0.45 0.08 -0.50 0.00 0.00 175.29 174.85 2ost s VAL 50 N 1.44 5.10 -0.02 1.34 1.01 -1.26 -0.45 120.40 127.56 2ost s VAL 50 Ca 0.01 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2ost s VAL 50 Cb -0.17 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2ost s VAL 50 CO 0.01 0.44 0.02 -0.54 0.00 0.00 0.00 175.10 175.03 2ost s LYS 51 N -0.13 0.10 -0.19 2.72 1.02 -0.81 -4.95 119.74 117.49 2ost s LYS 51 Ca 0.25 0.14 -0.15 0.00 0.02 0.00 0.00 55.97 56.23 2ost s LYS 51 Cb -0.16 -0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 36.77 2ost s LYS 51 CO 0.12 -0.16 0.36 0.45 -0.92 0.00 0.00 175.35 175.20 2ost s SER 52 N 1.06 6.42 0.74 2.83 0.15 -1.26 -0.97 113.70 122.66 2ost s SER 52 Ca -0.09 0.49 -0.09 0.00 0.70 0.00 0.00 55.95 56.96 2ost s SER 52 Cb -0.13 -2.21 0.06 0.00 -1.71 0.00 0.00 66.02 62.03 2ost s SER 52 CO -0.02 -0.02 1.08 -0.94 1.20 0.00 0.00 173.24 174.54 2ost s SER 53 N 0.90 4.78 0.04 5.45 1.04 -0.43 -4.92 113.70 120.56 2ost s SER 53 Ca 0.18 0.66 0.04 0.00 0.48 0.00 0.00 55.95 57.31 2ost s SER 53 Cb -0.14 -1.27 -0.02 0.00 0.10 0.00 0.00 66.02 64.68 2ost s SER 53 CO 0.07 -1.68 -0.12 -1.66 0.98 0.00 0.00 173.24 170.83 2ost s TRP 54 N -3.38 1.09 -0.44 5.02 -2.14 -1.04 -4.89 118.94 113.15 2ost s TRP 54 Ca 0.60 -0.35 -0.28 0.00 2.66 0.00 0.00 56.10 58.73 2ost s TRP 54 Cb -0.11 -0.65 -0.01 0.00 -3.10 0.00 0.00 33.47 29.61 2ost s TRP 54 CO 0.47 0.02 1.66 0.21 -2.66 0.00 0.00 176.95 176.64 2ost s LYS 55 N -1.12 3.25 -0.77 3.25 2.20 -1.26 -2.12 119.74 123.16 2ost s LYS 55 Ca -0.00 0.99 -0.26 0.00 -0.36 0.00 0.00 55.97 56.34 2ost s LYS 55 Cb -0.08 -4.18 0.02 0.00 -1.51 0.00 0.00 37.83 32.08 2ost s LYS 55 CO 0.01 -1.98 1.41 0.45 -0.36 0.00 0.00 175.35 174.89 2ost s SER 56 N 5.70 6.05 0.31 1.43 0.15 0.14 -4.89 113.70 122.59 2ost s SER 56 Ca 0.68 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.85 2ost s SER 56 Cb -0.16 -2.56 0.59 0.00 -1.71 0.00 0.00 66.02 62.17 2ost s SER 56 CO 0.29 -1.90 1.88 -0.08 1.20 0.00 0.00 173.24 174.64 2ost h GLU 57 N 10.74 0.93 -0.17 5.44 4.22 -1.92 0.34 114.58 134.17 2ost h GLU 57 Ca -0.19 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.16 2ost h GLU 57 Cb 1.06 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2ost h GLU 57 CO 1.29 0.62 -0.02 -0.22 -2.18 0.00 0.00 179.01 178.50 2ost h LYS 58 N 0.96 0.31 0.00 1.92 3.11 -1.97 -3.33 116.57 117.58 2ost h LYS 58 Ca 0.43 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 58.16 2ost h LYS 58 Cb 0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2ost h LYS 58 CO -0.19 0.55 -1.02 -2.37 -2.81 0.00 0.00 179.45 173.61 2ost n THR 59 N -4.70 0.25 -1.51 1.00 5.66 -0.88 -4.98 114.28 109.12 2ost n THR 59 Ca -0.05 -0.31 -0.08 0.00 -3.05 0.00 0.00 64.05 60.56 2ost n THR 59 Cb 0.24 0.06 -0.03 0.00 -1.55 0.00 0.00 70.33 69.05 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 1.33 0.72 3.68 1.09 0.00 0.11 -5.03 105.19 107.10 2ost n GLY 60 Ca 0.01 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 2ost n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ost s ASN 61 N -2.83 4.32 -0.16 1.61 0.01 -1.21 -4.87 114.94 111.81 2ost s ASN 61 Ca 0.00 -1.00 -0.06 0.00 -0.71 0.00 0.00 52.86 51.09 2ost s ASN 61 Cb 0.00 -0.55 -0.04 0.00 0.41 0.00 0.00 41.25 41.07 2ost s ASN 61 CO 0.00 -0.35 0.05 -0.31 -1.51 0.00 0.00 177.10 174.99 2ost s TYR 62 N -2.53 3.25 0.07 2.20 2.02 -0.78 0.23 117.35 121.81 2ost s TYR 62 Ca 0.37 0.09 0.03 0.00 -0.37 0.00 0.00 57.07 57.20 2ost s TYR 62 Cb 0.01 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 2ost s TYR 62 CO 0.21 0.23 -0.10 0.14 -1.57 0.00 0.00 175.55 174.46 2ost s VAL 63 N 0.08 0.79 0.05 0.71 -7.23 -0.90 -0.20 120.40 113.70 2ost s VAL 63 Ca 0.05 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 2ost s VAL 63 Cb -0.12 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 2ost s VAL 63 CO 0.01 -0.46 -0.07 0.68 -0.31 0.00 0.00 175.10 174.96 2ost s VAL 64 N -1.91 0.49 -0.12 1.32 -7.23 -0.89 -2.51 120.40 109.55 2ost s VAL 64 Ca -0.02 -1.25 -0.10 0.00 -1.81 0.00 0.00 61.98 58.80 2ost s VAL 64 Cb -0.06 -0.81 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 2ost s VAL 64 CO 0.00 -0.53 0.22 -0.62 -0.31 0.00 0.00 175.10 173.86 2ost s ASP 65 N -1.91 6.44 -0.07 4.85 2.15 -1.26 -0.90 116.67 125.97 2ost s ASP 65 Ca -0.06 0.52 0.20 0.00 0.43 0.00 0.00 52.55 53.64 2ost s ASP 65 Cb -0.06 -2.13 0.70 0.00 -0.30 0.00 0.00 42.92 41.13 2ost s ASP 65 CO -0.01 0.29 1.60 -0.46 -0.17 0.00 0.00 175.17 176.42 2ost n ASN 66 N 2.55 4.46 -4.01 -0.34 2.04 -0.96 -4.87 115.26 114.12 2ost n ASN 66 Ca -0.17 -2.28 -0.28 0.00 -0.44 0.00 0.00 54.58 51.41 2ost n ASN 66 Cb 0.53 -0.55 -0.17 0.00 -2.53 0.00 0.00 39.78 37.07 2ost n ASN 66 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2ost s ARG 67 N -1.55 2.07 -0.70 -3.83 1.70 -1.26 -4.29 118.95 111.10 2ost s ARG 67 Ca 0.50 -0.49 -0.26 0.00 -0.47 0.00 0.00 55.73 55.02 2ost s ARG 67 Cb 0.30 -1.87 -0.04 0.00 -0.57 0.00 0.00 34.95 32.77 2ost s ARG 67 CO 0.28 -0.16 1.99 -0.98 -1.08 0.00 0.00 175.30 175.35 2ost s ARG 68 N 1.29 2.47 -0.31 3.89 3.03 -0.72 -4.92 118.95 123.67 2ost s ARG 68 Ca -0.01 0.43 -0.25 0.00 2.03 0.00 0.00 55.73 57.94 2ost s ARG 68 Cb -0.14 -4.64 0.00 0.00 -1.03 0.00 0.00 34.95 29.15 2ost s ARG 68 CO -0.06 -3.12 0.84 -0.08 -1.13 0.00 0.00 175.30 171.76 2ost s THR 69 N 10.17 4.73 -0.27 4.99 -1.32 -1.26 -2.97 115.64 129.71 2ost s THR 69 Ca 0.73 1.27 -0.04 0.00 -1.21 0.00 0.00 61.69 62.45 2ost s THR 69 Cb -0.11 -4.20 0.02 0.00 -1.51 0.00 0.00 72.50 66.69 2ost s THR 69 CO 0.14 -0.31 0.01 0.00 -2.21 0.00 0.00 174.62 172.25 2ost s ARG 70 N 3.10 2.96 0.00 7.08 1.70 -1.11 -5.05 118.95 127.63 2ost s ARG 70 Ca 0.35 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 2ost s ARG 70 Cb -0.14 -3.18 0.00 0.00 -0.57 0.00 0.00 34.95 31.07 2ost s ARG 70 CO 0.13 -0.42 0.00 0.25 -1.08 0.00 0.00 175.30 174.18 2ost n THR 71 N 4.77 0.00 -2.78 4.99 -2.24 -1.26 -3.76 114.28 113.99 2ost n THR 71 Ca -0.15 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 2ost n THR 71 Cb 0.47 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.76 2ost n THR 71 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ost n ASN 72 N -0.41 -3.85 0.00 3.42 4.05 -1.26 -4.97 115.26 112.24 2ost n ASN 72 Ca 0.00 -0.45 0.00 0.00 0.45 0.00 0.00 54.58 54.58 2ost n ASN 72 Cb 0.00 -3.63 0.00 0.00 1.23 0.00 0.00 39.78 37.38 2ost n ASN 72 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 2ost n ARG 73 N -2.83 0.15 -0.69 1.20 0.63 -1.26 -5.01 116.66 108.85 2ost n ARG 73 Ca -0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 2ost n ARG 73 Cb 0.59 -0.01 0.00 0.00 0.45 0.00 0.00 32.46 33.49 2ost n ARG 73 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2ost n ARG 74 N 0.00 -0.29 -3.59 -0.14 0.63 -1.26 -4.89 116.66 107.11 2ost n ARG 74 Ca 0.00 0.07 -0.18 0.00 -0.92 0.00 0.00 57.85 56.83 2ost n ARG 74 Cb 0.00 -4.14 -0.14 0.00 0.45 0.00 0.00 32.46 28.63 2ost n ARG 74 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2ost s ASN 75 N -2.18 1.08 -0.26 6.15 0.02 -1.26 -5.13 114.94 113.36 2ost s ASN 75 Ca 0.00 0.07 -0.29 0.00 -1.02 0.00 0.00 52.86 51.62 2ost s ASN 75 Cb 0.00 0.33 -0.01 0.00 0.02 0.00 0.00 41.25 41.59 2ost s ASN 75 CO 0.00 -0.29 1.39 -0.51 0.02 0.00 0.00 177.10 177.72 2ost s ILE 76 N 2.31 4.02 -0.11 0.60 1.10 -1.26 -4.90 121.20 122.95 2ost s ILE 76 Ca 0.04 1.16 0.01 0.00 -0.51 0.00 0.00 60.65 61.36 2ost s ILE 76 Cb -0.14 -4.00 -0.01 0.00 0.15 0.00 0.00 42.46 38.45 2ost s ILE 76 CO -0.09 -0.38 -0.15 0.68 -2.11 0.00 0.00 174.94 172.88 2ost s VAL 77 N 4.51 2.86 -0.44 4.00 -7.23 -1.25 -5.07 120.40 117.78 2ost s VAL 77 Ca 0.61 -0.74 -0.06 0.00 -1.81 0.00 0.00 61.98 59.98 2ost s VAL 77 Cb -0.20 -2.17 0.12 0.00 0.56 0.00 0.00 36.38 34.69 2ost s VAL 77 CO 0.24 0.54 0.27 -0.13 -0.31 0.00 0.00 175.10 175.71 2ost s ARG 78 N 0.22 2.22 -0.30 4.82 0.52 -1.26 -2.74 118.95 122.43 2ost s ARG 78 Ca -0.10 -1.82 -0.11 0.00 -0.52 0.00 0.00 55.73 53.18 2ost s ARG 78 Cb -0.16 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 2ost s ARG 78 CO 0.06 -1.13 0.20 -1.54 0.02 0.00 0.00 175.30 172.91 2ost s SER 79 N 2.15 6.00 1.04 0.23 1.04 -1.16 -5.01 113.70 118.00 2ost s SER 79 Ca 0.07 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 2ost s SER 79 Cb -0.24 -2.12 0.05 0.00 0.10 0.00 0.00 66.02 63.82 2ost s SER 79 CO -0.03 -0.11 0.21 -0.81 0.98 0.00 0.00 173.24 173.48 2ost n PRO 80 N 5.07 -1.30 -3.92 4.02 -0.04 -1.26 -1.76 135.00 135.82 2ost n PRO 80 Ca -0.14 -0.33 -0.30 0.00 -0.04 0.00 0.00 63.50 62.70 2ost n PRO 80 Cb 0.51 -0.30 -0.04 0.00 -0.04 0.00 0.00 33.50 33.64 2ost n PRO 80 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2ost s TYR 81 N -1.38 3.51 0.58 0.54 1.51 -1.26 -4.68 117.35 116.17 2ost s TYR 81 Ca 0.13 0.23 -0.07 0.00 -1.01 0.00 0.00 57.07 56.36 2ost s TYR 81 Cb -0.01 -1.75 -0.00 0.00 -0.11 0.00 0.00 41.96 40.09 2ost s TYR 81 CO 0.10 0.57 0.90 1.03 -1.11 0.00 0.00 175.55 177.04 2ost s ARG 82 N -2.66 3.09 0.56 -0.62 1.81 -1.26 -4.94 118.95 114.94 2ost s ARG 82 Ca 0.35 0.13 0.34 0.00 -1.72 0.00 0.00 55.73 54.83 2ost s ARG 82 Cb -0.13 -2.26 1.59 0.00 -0.45 0.00 0.00 34.95 33.71 2ost s ARG 82 CO 0.28 -0.62 2.08 0.78 -0.68 0.00 0.00 175.30 177.14 2ost h GLY 83 N -0.14 0.00 -1.73 -3.53 0.00 -1.95 -3.01 103.07 92.71 2ost h GLY 83 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2ost h GLY 83 CO 0.61 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.31 2ost n ASN 84 N -3.20 3.35 0.06 0.19 0.23 -1.26 -4.45 115.26 110.18 2ost n ASN 84 Ca -0.01 -2.11 -0.10 0.00 -0.53 0.00 0.00 54.58 51.83 2ost n ASN 84 Cb 0.25 -0.34 0.02 0.00 -2.08 0.00 0.00 39.78 37.63 2ost n ASN 84 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2ost h ASP 85 N 2.63 0.46 -1.86 0.53 3.45 -1.91 -3.48 116.42 116.25 2ost h ASP 85 Ca 0.00 -0.32 -0.03 0.00 0.43 0.00 0.00 57.03 57.11 2ost h ASP 85 Cb 0.89 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.52 2ost h ASP 85 CO 0.03 1.07 0.05 2.22 -1.57 0.00 0.00 179.24 181.05 2ost n PHE 86 N -3.81 -1.27 -0.07 4.55 1.16 -1.26 -4.43 117.46 112.33 2ost n PHE 86 Ca -0.05 -0.67 -0.10 0.00 -1.87 0.00 0.00 57.45 54.77 2ost n PHE 86 Cb 0.73 0.28 -0.06 0.00 -1.61 0.00 0.00 39.48 38.82 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 -1.39 2.83 -3.81 5.98 8.00 -0.07 -4.78 116.55 123.32 2ost n ASP 87 Ca -0.02 -0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.28 2ost n ASP 87 Cb 0.20 -0.23 -0.14 0.00 -0.02 0.00 0.00 41.12 40.92 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 -2.28 -0.05 -0.23 1.24 0.40 -0.44 -1.81 117.98 114.82 2ost s PHE 88 Ca -0.19 0.20 -0.08 0.00 -0.60 0.00 0.00 56.93 56.26 2ost s PHE 88 Cb 0.05 -0.08 -0.04 0.00 0.51 0.00 0.00 43.02 43.46 2ost s PHE 88 CO 0.32 -0.07 0.09 0.00 0.70 0.00 0.00 175.22 176.26 2ost s ALA 89 N 0.58 3.35 -0.39 5.36 0.00 0.14 -0.24 121.76 130.56 2ost s ALA 89 Ca -0.05 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 2ost s ALA 89 Cb -0.06 -2.09 0.08 0.00 0.00 0.00 0.00 23.12 21.04 2ost s ALA 89 CO -0.02 -0.20 0.19 0.14 0.00 0.00 0.00 175.76 175.87 2ost s VAL 90 N 1.09 3.77 0.26 0.00 -7.23 0.40 -0.73 120.40 117.96 2ost s VAL 90 Ca 0.05 -1.54 -0.29 0.00 -1.81 0.00 0.00 61.98 58.38 2ost s VAL 90 Cb -0.14 -3.34 -0.09 0.00 0.56 0.00 0.00 36.38 33.37 2ost s VAL 90 CO 0.04 -0.47 0.96 0.00 -0.31 0.00 0.00 175.10 175.32 2ost s ALA 91 N 1.32 3.32 -0.04 1.32 0.00 -0.56 -1.93 121.76 125.20 2ost s ALA 91 Ca 0.03 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.68 2ost s ALA 91 Cb -0.22 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 2ost s ALA 91 CO 0.00 0.16 -0.20 -0.47 0.00 0.00 0.00 175.76 175.25 2ost s TYR 92 N -1.25 1.91 -0.47 0.00 6.04 -0.15 -0.97 117.35 122.47 2ost s TYR 92 Ca 0.43 -0.54 -0.02 0.00 0.04 0.00 0.00 57.07 56.99 2ost s TYR 92 Cb -0.26 -1.27 0.12 0.00 -1.04 0.00 0.00 41.96 39.52 2ost s TYR 92 CO 0.32 -0.16 0.26 0.08 -1.54 0.00 0.00 175.55 174.50 2ost s VAL 93 N -0.07 3.27 0.84 3.14 1.01 0.96 -1.31 120.40 128.24 2ost s VAL 93 Ca -0.02 -2.42 -0.10 0.00 0.00 0.00 0.00 61.98 59.43 2ost s VAL 93 Cb -0.12 -3.22 0.10 0.00 0.00 0.00 0.00 36.38 33.14 2ost s VAL 93 CO 0.02 -0.74 1.12 -0.70 0.00 0.00 0.00 175.10 174.80 2ost s GLU 94 N 0.69 1.63 0.00 2.72 2.12 -1.26 -0.49 118.70 124.10 2ost s GLU 94 Ca 0.11 1.36 0.00 0.00 0.36 0.00 0.00 54.97 56.80 2ost s GLU 94 Cb -0.22 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.36 2ost s GLU 94 CO -0.04 -2.14 0.00 -1.91 -0.54 0.00 0.00 175.26 170.63 2ost n GLU 95 N -3.88 0.00 -0.06 4.30 2.13 -1.26 -4.44 120.64 117.43 2ost n GLU 95 Ca 0.10 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.97 2ost n GLU 95 Cb 0.53 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.31 2ost n GLU 95 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2ost n LEU 96 N 0.00 2.17 -4.15 4.31 4.77 -1.18 -5.00 117.00 117.92 2ost n LEU 96 Ca 0.00 -1.39 -0.35 0.00 -0.03 0.00 0.00 56.01 54.24 2ost n LEU 96 Cb 0.00 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 2ost n LEU 96 CO 0.00 0.48 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.84 2ost n GLU 97 N 0.46 -2.02 -3.96 3.23 1.02 -0.31 -4.90 120.64 114.15 2ost n GLU 97 Ca 0.07 0.24 -0.36 0.00 -0.02 0.00 0.00 57.16 57.10 2ost n GLU 97 Cb 0.30 -4.89 -0.08 0.00 -0.02 0.00 0.00 31.44 26.76 2ost n GLU 97 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2ost s LEU 98 N -7.00 4.11 -0.06 -4.62 0.20 0.35 -4.95 118.68 106.72 2ost s LEU 98 Ca 0.70 0.30 0.06 0.00 0.69 0.00 0.00 54.13 55.87 2ost s LEU 98 Cb -0.40 -2.01 -0.01 0.00 -0.43 0.00 0.00 46.19 43.34 2ost s LEU 98 CO 0.86 0.32 -0.24 -0.36 -0.29 0.00 0.00 176.35 176.64 2ost s PHE 99 N -0.48 2.46 -0.12 5.38 0.40 -1.26 -0.03 117.98 124.33 2ost s PHE 99 Ca 0.11 -0.66 -0.03 0.00 -0.60 0.00 0.00 56.93 55.75 2ost s PHE 99 Cb -0.12 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 2ost s PHE 99 CO 0.02 -0.18 -0.02 0.71 0.70 0.00 0.00 175.22 176.45 2ost s TYR 100 N -0.21 3.08 -0.20 0.36 1.51 -0.14 -0.51 117.35 121.24 2ost s TYR 100 Ca -0.02 -0.02 -0.02 0.00 -1.01 0.00 0.00 57.07 56.00 2ost s TYR 100 Cb -0.13 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 2ost s TYR 100 CO 0.03 0.24 -0.10 0.14 -1.11 0.00 0.00 175.55 174.75 2ost s VAL 101 N -0.31 2.92 -0.09 0.71 -7.23 -0.96 -1.49 120.40 113.94 2ost s VAL 101 Ca 0.06 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 2ost s VAL 101 Cb -0.12 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 2ost s VAL 101 CO 0.02 0.46 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.82 2ost s PHE 102 N 1.39 2.88 0.64 2.82 0.40 0.10 -4.63 117.98 121.57 2ost s PHE 102 Ca 0.05 -0.23 -0.16 0.00 -0.60 0.00 0.00 56.93 55.99 2ost s PHE 102 Cb -0.14 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 2ost s PHE 102 CO -0.06 0.11 1.13 -2.14 0.70 0.00 0.00 175.22 174.95 2ost s PRO 103 N -0.31 2.87 0.16 0.24 0.02 -1.26 0.28 135.00 137.01 2ost s PRO 103 Ca 0.04 1.50 -0.26 0.00 0.02 0.00 0.00 61.00 62.31 2ost s PRO 103 Cb -0.13 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.47 2ost s PRO 103 CO 0.02 -1.21 1.58 -0.39 -0.33 0.00 0.00 177.00 176.67 2ost h VAL 104 N 0.32 0.13 -0.89 3.83 -1.51 -1.66 -0.87 116.25 115.59 2ost h VAL 104 Ca -0.48 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.03 2ost h VAL 104 Cb 1.26 0.13 -0.05 0.00 -2.13 0.00 0.00 31.29 30.49 2ost h VAL 104 CO 0.54 0.00 0.58 0.44 -1.23 0.00 0.00 177.57 177.90 2ost h ASP 105 N -0.28 0.94 1.30 4.19 5.19 -1.90 0.20 116.42 126.06 2ost h ASP 105 Ca 0.16 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.42 2ost h ASP 105 Cb 0.57 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 2ost h ASP 105 CO -0.60 0.64 -0.66 -0.37 -3.12 0.00 0.00 179.24 175.12 2ost h VAL 106 N 1.08 1.15 -0.10 -1.35 -1.51 -1.90 -2.99 116.25 110.64 2ost h VAL 106 Ca 0.36 -2.59 -0.06 0.00 -1.23 0.00 0.00 66.70 63.18 2ost h VAL 106 Cb 0.06 2.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 2ost h VAL 106 CO -0.11 0.65 -0.17 0.15 -1.23 0.00 0.00 177.57 176.85 2ost h PHE 107 N 0.00 0.36 0.00 5.19 3.57 0.54 -3.26 116.94 123.34 2ost h PHE 107 Ca -0.01 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2ost h PHE 107 Cb 1.49 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 40.16 2ost h PHE 107 CO 0.00 0.77 -0.05 -0.84 -2.23 0.00 0.00 178.31 175.96 2ost h ILE 108 N -0.16 0.13 0.00 1.41 -0.00 -0.81 -3.21 117.51 114.86 2ost h ILE 108 Ca 0.01 -0.72 0.00 0.00 -0.00 0.00 0.00 64.86 64.15 2ost h ILE 108 Cb 0.75 1.63 0.00 0.00 -0.00 0.00 0.00 36.82 39.20 2ost h ILE 108 CO 0.04 0.05 0.00 -1.54 -0.00 0.00 0.00 178.15 176.70 2ost n SER 109 N -3.16 0.72 -4.77 2.16 3.41 -1.13 -4.71 113.62 106.13 2ost n SER 109 Ca 0.01 0.66 -0.38 0.00 -0.26 0.00 0.00 58.87 58.90 2ost n SER 109 Cb 0.36 -0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 63.45 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 -3.30 3.48 -0.41 7.33 2.02 -1.22 -5.02 117.35 120.23 2ost s TYR 110 Ca 0.05 1.71 -0.24 0.00 -0.37 0.00 0.00 57.07 58.22 2ost s TYR 110 Cb 0.10 -3.10 0.02 0.00 -0.40 0.00 0.00 41.96 38.57 2ost s TYR 110 CO 0.42 -0.34 0.81 0.20 -1.57 0.00 0.00 175.55 175.08 2ost s GLY 111 N -1.41 1.60 0.00 0.71 0.00 -1.26 -4.93 107.32 102.03 2ost s GLY 111 Ca 0.52 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.45 2ost s GLY 111 CO 0.30 1.82 0.00 -1.14 0.00 0.00 0.00 173.10 174.08 2ost n SER 112 N 6.65 0.00 -4.77 1.64 3.41 -1.26 -4.81 113.62 114.49 2ost n SER 112 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.24 2ost n SER 112 Cb 0.48 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 2ost n SER 112 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2ost s GLU 113 N 0.00 4.34 -0.10 4.33 2.02 -1.26 -2.27 118.70 125.75 2ost s GLU 113 Ca 0.00 2.07 0.04 0.00 0.02 0.00 0.00 54.97 57.10 2ost s GLU 113 Cb 0.00 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.22 2ost s GLU 113 CO 0.00 -0.15 -0.22 0.96 0.02 0.00 0.00 175.26 175.87 2ost s ILE 114 N -1.19 1.92 -0.02 -1.63 -5.25 -0.08 -4.96 121.20 109.99 2ost s ILE 114 Ca 0.50 -0.93 -0.01 0.00 -0.99 0.00 0.00 60.65 59.21 2ost s ILE 114 Cb -0.37 -1.67 -0.04 0.00 2.95 0.00 0.00 42.46 43.33 2ost s ILE 114 CO 0.48 0.53 0.07 -1.00 -1.79 0.00 0.00 174.94 173.23 2ost s HIS 115 N 0.44 3.29 -0.25 1.37 3.76 -1.26 -2.09 115.29 120.55 2ost s HIS 115 Ca -0.17 0.23 0.01 0.00 -0.15 0.00 0.00 55.06 54.98 2ost s HIS 115 Cb -0.17 -1.76 0.04 0.00 1.11 0.00 0.00 32.58 31.80 2ost s HIS 115 CO 0.07 0.55 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.92 2ost s LEU 116 N -1.57 3.30 -0.00 0.89 1.43 0.72 -4.65 118.68 118.80 2ost s LEU 116 Ca 0.21 -1.14 -0.24 0.00 -1.03 0.00 0.00 54.13 51.94 2ost s LEU 116 Cb -0.12 -1.60 -0.14 0.00 0.03 0.00 0.00 46.19 44.36 2ost s LEU 116 CO 0.12 -0.16 1.01 0.58 0.23 0.00 0.00 176.35 178.12 2ost h VAL 117 N 6.43 0.12 -1.34 -1.59 2.07 -1.94 -2.08 116.25 117.92 2ost h VAL 117 Ca -0.27 -0.43 -0.18 0.00 0.82 0.00 0.00 66.70 66.65 2ost h VAL 117 Cb 1.08 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 2ost h VAL 117 CO 0.53 0.02 -0.16 1.21 0.02 0.00 0.00 177.57 179.19 2ost n GLU 118 N -5.30 -1.31 -4.49 1.57 4.07 -1.26 -4.69 120.64 109.23 2ost n GLU 118 Ca -0.10 0.55 -0.25 0.00 -0.06 0.00 0.00 57.16 57.30 2ost n GLU 118 Cb 0.32 -4.64 -0.10 0.00 -0.06 0.00 0.00 31.44 26.96 2ost n GLU 118 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2ost s THR 119 N -1.68 2.43 0.62 6.31 -1.32 -1.26 -5.13 115.64 115.61 2ost s THR 119 Ca 0.00 -2.34 -0.12 0.00 -1.21 0.00 0.00 61.69 58.02 2ost s THR 119 Cb 0.00 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.54 2ost s THR 119 CO 0.00 -0.34 1.03 -1.81 -2.21 0.00 0.00 174.62 171.29 2ost s ASP 120 N -3.54 6.11 -0.30 8.08 1.01 -1.26 -4.72 116.67 122.04 2ost s ASP 120 Ca 0.31 1.50 -0.16 0.00 0.71 0.00 0.00 52.55 54.90 2ost s ASP 120 Cb -0.03 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.44 2ost s ASP 120 CO 0.16 -0.95 0.35 0.29 0.21 0.00 0.00 175.17 175.23 2ost n LYS 121 N -2.61 -1.91 -4.09 8.23 4.76 -1.26 -5.05 118.16 116.24 2ost n LYS 121 Ca 0.07 1.68 -0.14 0.00 -2.87 0.00 0.00 58.31 57.05 2ost n LYS 121 Cb 0.54 -3.24 -0.11 0.00 -1.84 0.00 0.00 35.03 30.38 2ost n LYS 121 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2ost s ARG 122 N -1.96 0.60 0.10 1.97 1.81 -1.26 -5.08 118.95 115.13 2ost s ARG 122 Ca 0.18 -0.84 -0.29 0.00 -1.72 0.00 0.00 55.73 53.06 2ost s ARG 122 Cb -0.03 -0.36 -0.13 0.00 -0.45 0.00 0.00 34.95 33.98 2ost s ARG 122 CO 0.61 0.06 1.64 1.96 -0.68 0.00 0.00 175.30 178.89 2ost h GLN 123 N 4.31 -0.58 -5.68 3.54 4.20 -2.01 -3.45 115.11 115.45 2ost h GLN 123 Ca -0.36 0.04 -0.58 0.00 0.06 0.00 0.00 58.65 57.81 2ost h GLN 123 Cb 1.20 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 28.97 2ost h GLN 123 CO 0.43 -0.38 -0.65 1.03 -0.67 0.00 0.00 178.83 178.59 2ost s ARG 124 N -6.06 1.78 -0.06 1.46 3.00 -1.26 -5.15 118.95 112.67 2ost s ARG 124 Ca -0.16 -1.95 -0.03 0.00 0.00 0.00 0.00 55.73 53.59 2ost s ARG 124 Cb 0.06 -1.47 -0.04 0.00 0.00 0.00 0.00 34.95 33.50 2ost s ARG 124 CO 0.64 0.03 0.10 -1.59 0.00 0.00 0.00 175.30 174.47 2ost s LYS 125 N -3.70 3.22 0.62 3.54 -2.85 -1.26 -5.11 119.74 114.21 2ost s LYS 125 Ca 0.33 -0.33 -0.16 0.00 -1.00 0.00 0.00 55.97 54.81 2ost s LYS 125 Cb 0.06 -2.98 -0.02 0.00 -2.06 0.00 0.00 37.83 32.82 2ost s LYS 125 CO 0.16 0.70 1.09 -1.25 0.10 0.00 0.00 175.35 176.15 2ost s PRO 126 N -1.37 3.05 0.00 1.78 0.04 -1.26 -4.87 135.00 132.37 2ost s PRO 126 Ca 0.19 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2ost s PRO 126 Cb -0.12 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2ost s PRO 126 CO 0.09 -1.05 0.91 -2.13 0.04 0.00 0.00 177.00 174.87 2ost n ARG 127 N -2.18 0.00 0.09 4.56 0.00 -1.26 0.06 116.66 117.93 2ost n ARG 127 Ca 0.10 0.41 0.12 0.00 -0.00 0.00 0.00 57.85 58.48 2ost n ARG 127 Cb 0.52 -1.56 0.16 0.00 0.00 0.00 0.00 32.46 31.57 2ost n ARG 127 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2ost h SER 128 N 0.00 0.00 -0.58 6.15 4.64 -1.89 -3.41 113.55 118.46 2ost h SER 128 Ca 0.00 -0.13 0.11 0.00 -0.47 0.00 0.00 61.79 61.30 2ost h SER 128 Cb 0.13 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.11 2ost h SER 128 CO 0.00 0.06 -0.21 0.15 -0.87 0.00 0.00 176.83 175.96 2ost h PHE 129 N 0.00 -0.52 0.00 4.77 3.04 -0.72 -1.55 116.94 121.96 2ost h PHE 129 Ca 0.00 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.01 2ost h PHE 129 Cb 0.82 0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.65 2ost h PHE 129 CO 0.00 -0.31 0.00 0.41 -2.02 0.00 0.00 178.31 176.39 2ost n GLY 130 N -1.43 1.07 0.00 2.40 0.00 -1.26 -2.82 105.19 103.15 2ost n GLY 130 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.16 0.00 -1.70 1.61 4.02 -0.58 -4.90 117.16 115.76 2ost n TYR 131 Ca 0.00 0.00 -0.54 0.00 -0.01 0.00 0.00 57.90 57.35 2ost n TYR 131 Cb 0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.44 2ost n TYR 131 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2ost n ARG 132 N -0.20 1.48 -3.30 -0.72 1.74 -1.13 -2.27 116.66 112.25 2ost n ARG 132 Ca 0.00 0.54 -0.22 0.00 -0.77 0.00 0.00 57.85 57.40 2ost n ARG 132 Cb 0.02 -2.27 -0.01 0.00 -1.02 0.00 0.00 32.46 29.18 2ost n ARG 132 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2ost n GLU 133 N 5.57 -3.06 -0.81 5.56 4.07 0.34 -4.80 120.64 127.50 2ost n GLU 133 Ca 0.25 0.42 -0.08 0.00 -0.06 0.00 0.00 57.16 57.69 2ost n GLU 133 Cb 0.18 -5.09 -0.11 0.00 -0.06 0.00 0.00 31.44 26.37 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 -3.37 5.49 0.34 4.31 0.00 -0.99 -4.59 120.51 121.70 2ost n ALA 134 Ca -0.01 -1.17 0.22 0.00 0.00 0.00 0.00 53.44 52.48 2ost n ALA 134 Cb 0.54 -1.86 1.17 0.00 0.00 0.00 0.00 19.45 19.30 2ost n ALA 134 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2ost h TRP 135 N 2.33 0.00 0.00 0.00 4.06 -1.89 -1.74 115.95 118.71 2ost h TRP 135 Ca 0.12 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.02 2ost h TRP 135 Cb 1.32 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.47 2ost h TRP 135 CO 1.23 0.00 -0.25 1.12 -3.56 0.00 0.00 178.44 176.98 2ost h HIS 136 N 0.00 0.00 0.00 0.49 2.07 -1.99 -2.44 115.15 113.28 2ost h HIS 136 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 2ost h HIS 136 Cb 0.09 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.07 2ost h HIS 136 CO 0.00 0.25 -0.11 -0.07 -3.07 0.00 0.00 177.93 174.93 2ost h LEU 137 N 0.00 0.00 0.00 6.12 3.38 -1.71 0.05 115.31 123.15 2ost h LEU 137 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ost h LEU 137 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2ost h LEU 137 CO 0.03 0.11 -0.74 0.16 0.09 0.00 0.00 178.44 178.09 2ost h ILE 138 N 0.00 0.00 -0.08 1.22 3.07 -1.61 -3.04 117.51 117.07 2ost h ILE 138 Ca -0.00 -0.53 -0.19 0.00 1.55 0.00 0.00 64.86 65.68 2ost h ILE 138 Cb 0.23 1.05 0.01 0.00 -0.27 0.00 0.00 36.82 37.84 2ost h ILE 138 CO 0.01 0.00 -0.71 -0.07 -1.05 0.00 0.00 178.15 176.34 2ost h LEU 139 N 0.00 0.76 0.54 0.16 3.38 -1.09 -3.38 115.31 115.69 2ost h LEU 139 Ca 0.00 -0.68 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 2ost h LEU 139 Cb 0.77 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2ost h LEU 139 CO 0.00 1.32 -0.28 1.56 0.09 0.00 0.00 178.44 181.13 2ost h GLN 140 N 0.26 -0.73 -6.25 1.13 4.20 -1.08 -2.54 115.11 110.10 2ost h GLN 140 Ca -0.07 0.05 -0.58 0.00 0.06 0.00 0.00 58.65 58.12 2ost h GLN 140 Cb 1.36 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.28 2ost h GLN 140 CO 0.14 -0.49 1.29 0.21 -0.67 0.00 0.00 178.83 179.31 2ost s LYS 141 N -4.71 3.36 0.00 1.46 2.20 -1.15 -0.28 119.74 120.62 2ost s LYS 141 Ca -0.11 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 2ost s LYS 141 Cb 0.01 -4.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 2ost s LYS 141 CO 0.35 -1.82 0.00 0.41 -0.36 0.00 0.00 175.35 173.92 2ost n GLY 142 N 5.40 3.77 0.21 5.54 0.00 -1.26 -4.70 105.19 114.16 2ost n GLY 142 Ca 0.23 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 2ost n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ost h ALA 143 N 0.00 0.71 -0.37 4.61 0.00 -0.83 -2.62 119.26 120.76 2ost h ALA 143 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 2ost h ALA 143 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2ost h ALA 143 CO 0.00 0.69 -0.21 0.00 0.00 0.00 0.00 179.25 179.73 2ost h ALA 144 N 0.98 0.94 0.48 0.00 0.00 -0.90 -3.30 119.26 117.46 2ost h ALA 144 Ca 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2ost h ALA 144 Cb 1.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2ost h ALA 144 CO 0.10 0.61 -0.23 0.37 0.00 0.00 0.00 179.25 180.10 2ost h GLN 145 N 0.63 -0.62 -6.60 0.00 5.75 -1.79 -3.41 115.11 109.07 2ost h GLN 145 Ca 0.09 0.04 -0.53 0.00 -0.15 0.00 0.00 58.65 58.11 2ost h GLN 145 Cb 0.69 0.14 0.05 0.00 1.07 0.00 0.00 27.48 29.44 2ost h GLN 145 CO 0.05 -0.32 1.02 1.63 -2.65 0.00 0.00 178.83 178.57 2ost n LYS 146 N -5.27 2.74 -0.58 1.69 4.01 -0.99 -5.00 118.16 114.75 2ost n LYS 146 Ca -0.11 0.99 0.00 0.00 -0.51 0.00 0.00 58.31 58.68 2ost n LYS 146 Cb 0.31 -2.84 0.00 0.00 -0.51 0.00 0.00 35.03 31.99 2ost n LYS 146 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68