#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjj h VAL 4 N 0.00 1.19 -0.08 12.58 3.04 -1.95 -3.25 116.25 127.78 1jjj h VAL 4 Ca 0.00 -0.84 0.02 0.00 -1.01 0.00 0.00 66.70 64.88 1jjj h VAL 4 Cb 0.00 1.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1jjj h VAL 4 CO 0.00 0.26 0.17 1.56 -1.01 0.00 0.00 177.57 178.55 1jjj h GLN 5 N 0.21 0.00 -0.97 4.17 7.50 -1.89 -1.01 115.11 123.12 1jjj h GLN 5 Ca 0.04 0.00 0.32 0.00 0.50 0.00 0.00 58.65 59.51 1jjj h GLN 5 Cb 0.41 0.00 -0.17 0.00 0.05 0.00 0.00 27.48 27.77 1jjj h GLN 5 CO 0.03 0.00 0.31 0.37 -1.50 0.00 0.00 178.83 178.03 1jjj h GLN 6 N 0.00 0.09 -0.06 1.46 4.15 -1.96 -2.61 115.11 116.17 1jjj h GLN 6 Ca 0.04 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1jjj h GLN 6 Cb 0.37 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1jjj h GLN 6 CO -0.00 0.06 0.00 1.28 -1.93 0.00 0.00 178.83 178.24 1jjj n LEU 7 N -5.30 0.81 -4.71 -2.39 4.77 -0.38 -4.96 117.00 104.83 1jjj n LEU 7 Ca 0.29 -0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 1jjj n LEU 7 Cb 0.94 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.96 1jjj n LEU 7 CO 0.01 0.16 0.58 -0.70 -1.33 0.00 0.00 177.39 176.11 1jjj s GLU 8 N -1.92 4.51 0.00 3.23 -6.30 -0.99 -4.72 118.70 112.51 1jjj s GLU 8 Ca 0.33 1.23 0.00 0.00 -2.50 0.00 0.00 54.97 54.03 1jjj s GLU 8 Cb 0.17 -3.46 0.00 0.00 0.00 0.00 0.00 34.13 30.84 1jjj s GLU 8 CO 0.27 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.94 1jjj n GLY 9 N 2.98 1.10 3.53 -1.50 0.00 -0.56 -4.97 105.19 105.78 1jjj n GLY 9 Ca 0.04 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1jjj n GLY 9 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jjj s ARG 10 N -1.96 3.30 -0.37 1.61 3.52 -1.26 -1.01 118.95 122.77 1jjj s ARG 10 Ca 0.00 -0.22 -0.07 0.00 -0.13 0.00 0.00 55.73 55.32 1jjj s ARG 10 Cb 0.00 -4.11 0.06 0.00 -1.56 0.00 0.00 34.95 29.34 1jjj s ARG 10 CO 0.00 -1.81 0.16 -1.58 -0.81 0.00 0.00 175.30 171.27 1jjj s TRP 11 N 4.81 3.33 -0.04 5.12 0.52 -0.51 -0.85 118.94 131.32 1jjj s TRP 11 Ca 0.34 -1.63 -0.26 0.00 0.02 0.00 0.00 56.10 54.57 1jjj s TRP 11 Cb -0.10 -2.63 -0.03 0.00 -1.15 0.00 0.00 33.47 29.56 1jjj s TRP 11 CO 0.18 -0.81 0.82 0.50 0.02 0.00 0.00 176.95 177.66 1jjj s ARG 12 N 1.36 4.49 0.23 4.98 3.52 0.25 -0.39 118.95 133.39 1jjj s ARG 12 Ca 0.01 1.11 -0.30 0.00 -0.13 0.00 0.00 55.73 56.42 1jjj s ARG 12 Cb -0.21 -3.46 -0.10 0.00 -1.56 0.00 0.00 34.95 29.62 1jjj s ARG 12 CO 0.01 0.00 1.44 -1.17 -0.81 0.00 0.00 175.30 174.77 1jjj s LEU 13 N 0.93 4.39 0.00 -0.88 2.96 -0.68 -1.02 118.68 124.37 1jjj s LEU 13 Ca 0.44 2.63 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 1jjj s LEU 13 Cb -0.19 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.88 1jjj s LEU 13 CO 0.22 -0.70 0.00 1.33 -1.32 0.00 0.00 176.35 175.89 1jjj n VAL 14 N 2.56 0.00 -3.05 1.68 0.24 -0.29 -4.71 118.33 114.76 1jjj n VAL 14 Ca 0.07 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.03 1jjj n VAL 14 Cb 0.40 -0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 32.24 1jjj n VAL 14 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jjj s ASP 15 N 0.02 6.97 -0.40 -1.34 2.15 -1.22 -4.94 116.67 117.90 1jjj s ASP 15 Ca 0.00 1.43 0.06 0.00 0.43 0.00 0.00 52.55 54.48 1jjj s ASP 15 Cb 0.00 -2.43 0.21 0.00 -0.30 0.00 0.00 42.92 40.40 1jjj s ASP 15 CO 0.00 -0.11 0.43 -1.54 -0.17 0.00 0.00 175.17 173.79 1jjj n SER 16 N 0.15 -0.12 -4.75 -0.34 3.41 -1.26 -1.09 113.62 109.63 1jjj n SER 16 Ca 0.01 -2.54 -0.41 0.00 -0.26 0.00 0.00 58.87 55.67 1jjj n SER 16 Cb 0.52 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 1jjj n SER 16 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1jjj s LYS 17 N -0.59 4.46 -1.17 4.33 0.00 -0.59 -3.06 119.74 123.11 1jjj s LYS 17 Ca 0.34 2.01 0.00 0.00 0.00 0.00 0.00 55.97 58.32 1jjj s LYS 17 Cb 0.11 -3.16 0.00 0.00 0.00 0.00 0.00 37.83 34.78 1jjj s LYS 17 CO -0.15 -0.09 0.00 0.41 0.00 0.00 0.00 175.35 175.52 1jjj n GLY 18 N 1.54 1.09 2.54 0.59 0.00 -1.26 -1.15 105.19 108.54 1jjj n GLY 18 Ca 0.02 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1jjj n GLY 18 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jjj n PHE 19 N -2.29 2.92 0.08 1.61 7.35 -1.17 -3.57 117.46 122.39 1jjj n PHE 19 Ca -0.11 -3.00 0.00 0.00 -0.76 0.00 0.00 57.45 53.58 1jjj n PHE 19 Cb 0.55 -2.42 0.00 0.00 0.35 0.00 0.00 39.48 37.96 1jjj n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jjj n ASP 20 N 4.45 -1.18 -0.21 -2.13 2.03 -1.26 -4.80 116.55 113.45 1jjj n ASP 20 Ca 0.63 0.31 0.01 0.00 0.52 0.00 0.00 54.79 56.26 1jjj n ASP 20 Cb 0.31 1.34 0.09 0.00 -0.72 0.00 0.00 41.12 42.14 1jjj n ASP 20 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1jjj h GLU 21 N 0.00 0.07 -0.04 -0.67 4.11 -1.87 -0.33 114.58 115.85 1jjj h GLU 21 Ca 0.00 -0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.46 1jjj h GLU 21 Cb 0.00 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1jjj h GLU 21 CO 0.00 0.05 -0.31 -0.92 0.07 0.00 0.00 179.01 177.90 1jjj h TYR 22 N 0.07 -0.85 0.00 2.06 5.03 -1.76 -1.25 116.97 120.27 1jjj h TYR 22 Ca 0.32 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.62 1jjj h TYR 22 Cb 0.52 0.38 -0.01 0.00 1.55 0.00 0.00 36.73 39.18 1jjj h TYR 22 CO -0.42 -0.40 -0.22 0.00 -1.32 0.00 0.00 178.16 175.81 1jjj h MET 23 N -0.43 0.00 -0.11 1.82 -0.00 -1.86 -1.16 114.93 113.19 1jjj h MET 23 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.76 1jjj h MET 23 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.14 1jjj h MET 23 CO -0.29 0.22 0.03 0.87 -0.00 0.00 0.00 176.91 177.74 1jjj h LYS 24 N 0.00 0.17 -0.71 -0.10 1.57 -1.01 -2.13 116.57 114.37 1jjj h LYS 24 Ca -0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1jjj h LYS 24 Cb 0.66 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1jjj h LYS 24 CO 0.03 0.34 0.34 1.49 -0.57 0.00 0.00 179.45 181.08 1jjj h GLU 25 N -0.03 1.00 -0.96 3.15 4.57 -1.09 -2.22 114.58 119.00 1jjj h GLU 25 Ca 0.03 -0.13 0.13 0.00 -1.18 0.00 0.00 59.36 58.21 1jjj h GLU 25 Cb 0.24 -0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 28.56 1jjj h GLU 25 CO -0.00 0.77 0.58 -0.07 -1.18 0.00 0.00 179.01 179.11 1jjj h LEU 26 N 1.00 0.81 -1.28 1.64 3.38 -1.31 -3.49 115.31 116.07 1jjj h LEU 26 Ca 0.25 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1jjj h LEU 26 Cb 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jjj h LEU 26 CO -0.03 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1jjj n GLY 27 N -1.34 0.82 3.71 0.83 0.00 -0.84 -5.03 105.19 103.34 1jjj n GLY 27 Ca 0.19 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1jjj n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jjj s VAL 28 N -2.34 5.08 0.73 1.61 1.01 -0.85 -5.03 120.40 120.61 1jjj s VAL 28 Ca 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 1jjj s VAL 28 Cb 0.00 -3.28 0.04 0.00 0.00 0.00 0.00 36.38 33.14 1jjj s VAL 28 CO 0.00 0.49 1.22 -0.83 0.00 0.00 0.00 175.10 175.98 1jjj s GLY 29 N 0.05 2.38 0.16 4.51 0.00 -1.26 -4.63 107.32 108.53 1jjj s GLY 29 Ca 0.07 0.92 -0.15 0.00 0.00 0.00 0.00 44.72 45.56 1jjj s GLY 29 CO 0.00 1.33 1.75 0.16 0.00 0.00 0.00 173.10 176.34 1jjj h ILE 30 N -0.29 0.87 -0.81 0.90 -0.00 -1.99 0.16 117.51 116.36 1jjj h ILE 30 Ca -0.48 -0.10 -0.01 0.00 -0.00 0.00 0.00 64.86 64.27 1jjj h ILE 30 Cb 1.30 0.56 -0.04 0.00 -0.00 0.00 0.00 36.82 38.64 1jjj h ILE 30 CO 0.50 0.05 0.46 0.00 -0.00 0.00 0.00 178.15 179.16 1jjj h ALA 31 N 1.26 1.03 -0.58 0.16 0.00 -1.99 -1.56 119.26 117.58 1jjj h ALA 31 Ca 0.18 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1jjj h ALA 31 Cb 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1jjj h ALA 31 CO -0.19 0.53 0.00 -0.07 0.00 0.00 0.00 179.25 179.52 1jjj h LEU 32 N 1.12 0.97 -0.30 0.00 3.38 -1.82 -1.16 115.31 117.50 1jjj h LEU 32 Ca 0.29 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1jjj h LEU 32 Cb 0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1jjj h LEU 32 CO -0.05 1.03 0.04 0.03 0.09 0.00 0.00 178.44 179.58 1jjj h ARG 33 N 0.92 0.14 -0.17 1.13 3.08 -0.67 0.16 114.38 118.96 1jjj h ARG 33 Ca 0.17 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.26 1jjj h ARG 33 Cb 0.53 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 1jjj h ARG 33 CO 0.03 0.09 -0.15 -0.22 -1.07 0.00 0.00 179.97 178.65 1jjj h LYS 34 N 0.14 -0.16 -0.31 0.04 3.64 -1.24 -1.47 116.57 117.22 1jjj h LYS 34 Ca 0.14 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1jjj h LYS 34 Cb 0.16 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1jjj h LYS 34 CO -0.20 -0.10 -0.21 1.98 -2.27 0.00 0.00 179.45 178.65 1jjj h MET 35 N -0.16 -0.17 -0.88 1.90 4.05 -1.18 -2.59 114.93 115.90 1jjj h MET 35 Ca 0.11 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.59 1jjj h MET 35 Cb 0.32 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.10 1jjj h MET 35 CO -0.27 -0.11 0.55 0.78 0.23 0.00 0.00 176.91 178.09 1jjj h GLY 36 N -0.18 1.31 0.97 1.39 0.00 -0.84 -0.25 103.07 105.46 1jjj h GLY 36 Ca 0.16 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1jjj h GLY 36 CO -0.41 0.30 0.15 0.00 0.00 0.00 0.00 176.54 176.58 1jjj h ALA 37 N 1.40 0.33 0.00 3.60 0.00 -1.25 -3.34 119.26 120.00 1jjj h ALA 37 Ca 0.37 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 1jjj h ALA 37 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1jjj h ALA 37 CO -0.16 -0.16 -0.81 0.00 0.00 0.00 0.00 179.25 178.13 1jjj h MET 38 N 0.32 0.00 -6.29 0.00 3.00 -1.38 -3.46 114.93 107.12 1jjj h MET 38 Ca 0.09 0.00 -0.56 0.00 0.00 0.00 0.00 59.70 59.23 1jjj h MET 38 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 31.60 1jjj h MET 38 CO -0.02 0.81 1.10 0.00 0.00 0.00 0.00 176.91 178.80 1jjj s ALA 39 N -2.90 3.30 -0.79 -3.00 0.00 -0.11 -5.00 121.76 113.26 1jjj s ALA 39 Ca 0.02 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 1jjj s ALA 39 Cb 0.10 -3.83 0.20 0.00 0.00 0.00 0.00 23.12 19.58 1jjj s ALA 39 CO 0.79 -1.90 0.66 0.15 0.00 0.00 0.00 175.76 175.46 1jjj s LYS 40 N 4.57 3.04 0.66 0.00 3.01 -1.26 -4.95 119.74 124.81 1jjj s LYS 40 Ca 0.69 -2.96 -0.11 0.00 -1.01 0.00 0.00 55.97 52.58 1jjj s LYS 40 Cb -0.24 -3.91 -0.02 0.00 -1.01 0.00 0.00 37.83 32.66 1jjj s LYS 40 CO 0.28 -1.23 1.06 -1.25 0.51 0.00 0.00 175.35 174.71 1jjj s PRO 41 N -0.79 3.26 -0.62 -1.68 0.04 -1.26 -4.52 135.00 129.43 1jjj s PRO 41 Ca 0.23 0.68 -0.21 0.00 0.04 0.00 0.00 61.00 61.73 1jjj s PRO 41 Cb -0.12 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.45 1jjj s PRO 41 CO -0.09 -0.80 0.85 -0.51 0.04 0.00 0.00 177.00 176.50 1jjj s ASP 42 N -4.19 6.19 -0.70 6.66 1.11 -0.68 -1.69 116.67 123.36 1jjj s ASP 42 Ca 0.56 -1.11 -0.25 0.00 0.18 0.00 0.00 52.55 51.93 1jjj s ASP 42 Cb -0.11 -2.37 0.05 0.00 1.07 0.00 0.00 42.92 41.55 1jjj s ASP 42 CO 0.53 -1.28 1.14 0.00 1.18 0.00 0.00 175.17 176.74 1jjj s ILE 44 N 5.01 4.42 -0.35 0.00 1.01 -0.01 -1.42 121.20 129.86 1jjj s ILE 44 Ca 0.30 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 60.20 1jjj s ILE 44 Cb -0.12 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.69 1jjj s ILE 44 CO 0.13 -1.42 0.64 -0.63 0.00 0.00 0.00 174.94 173.66 1jjj s ILE 45 N 3.78 4.89 -0.32 2.92 1.01 -0.18 -1.32 121.20 131.97 1jjj s ILE 45 Ca 0.21 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 1jjj s ILE 45 Cb -0.17 -4.07 0.07 0.00 0.01 0.00 0.00 42.46 38.30 1jjj s ILE 45 CO 0.08 -0.30 0.04 0.42 0.00 0.00 0.00 174.94 175.18 1jjj s THR 46 N 2.70 2.89 -0.14 2.92 -4.23 -0.04 -1.50 115.64 118.25 1jjj s THR 46 Ca 0.25 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 1jjj s THR 46 Cb -0.14 -2.78 0.05 0.00 1.34 0.00 0.00 72.50 70.96 1jjj s THR 46 CO 0.15 -0.28 0.08 0.00 -0.54 0.00 0.00 174.62 174.03 1jjj h ASP 48 N 8.41 0.17 0.00 0.00 3.32 -1.95 -3.40 116.42 122.98 1jjj h ASP 48 Ca -0.14 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 56.02 1jjj h ASP 48 Cb 1.14 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1jjj h ASP 48 CO 0.26 1.28 0.00 0.61 -1.72 0.00 0.00 179.24 179.66 1jjj n GLY 49 N 1.62 -1.98 0.11 2.75 0.00 -1.26 -4.85 105.19 101.58 1jjj n GLY 49 Ca -0.17 0.60 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 1jjj n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jjj n LYS 50 N -2.04 0.74 -2.55 1.61 4.76 -1.26 -4.91 118.16 114.50 1jjj n LYS 50 Ca 0.00 0.08 -0.41 0.00 -2.87 0.00 0.00 58.31 55.12 1jjj n LYS 50 Cb 0.00 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.68 1jjj n LYS 50 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jjj s ASN 51 N -5.90 7.32 -0.08 4.39 4.22 -1.26 -0.76 114.94 122.87 1jjj s ASN 51 Ca -0.24 2.07 -0.03 0.00 -2.14 0.00 0.00 52.86 52.52 1jjj s ASN 51 Cb 0.07 -2.61 0.04 0.00 1.28 0.00 0.00 41.25 40.04 1jjj s ASN 51 CO 0.61 -0.17 0.14 -0.22 -2.04 0.00 0.00 177.10 175.43 1jjj s LEU 52 N -0.51 0.02 -0.16 3.54 0.20 -0.36 -3.04 118.68 118.36 1jjj s LEU 52 Ca 0.48 0.29 0.02 0.00 0.69 0.00 0.00 54.13 55.60 1jjj s LEU 52 Cb -0.29 0.21 0.02 0.00 -0.43 0.00 0.00 46.19 45.70 1jjj s LEU 52 CO 0.35 -0.24 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.07 1jjj s THR 53 N 2.19 2.06 -0.18 3.68 2.01 -0.18 -1.23 115.64 124.00 1jjj s THR 53 Ca 0.03 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 1jjj s THR 53 Cb -0.12 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1jjj s THR 53 CO -0.05 0.54 0.01 -0.63 -0.69 0.00 0.00 174.62 173.80 1jjj s ILE 54 N 1.11 4.17 -0.33 1.82 1.01 -0.23 -0.86 121.20 127.89 1jjj s ILE 54 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1jjj s ILE 54 Cb -0.14 -2.87 0.09 0.00 0.01 0.00 0.00 42.46 39.55 1jjj s ILE 54 CO -0.09 0.46 0.03 -0.75 0.00 0.00 0.00 174.94 174.59 1jjj s LYS 55 N 0.61 1.76 -0.46 2.79 2.20 -0.44 -0.95 119.74 125.25 1jjj s LYS 55 Ca -0.00 -1.72 -0.17 0.00 -0.36 0.00 0.00 55.97 53.71 1jjj s LYS 55 Cb -0.14 -3.18 0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1jjj s LYS 55 CO 0.02 -0.85 0.48 0.99 -0.36 0.00 0.00 175.35 175.63 1jjj s THR 56 N 0.99 5.05 -0.27 3.43 2.01 -0.54 -0.83 115.64 125.49 1jjj s THR 56 Ca 0.05 -0.54 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 1jjj s THR 56 Cb -0.20 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1jjj s THR 56 CO -0.06 -0.57 0.15 -1.61 -0.69 0.00 0.00 174.62 171.83 1jjj s GLU 57 N 2.18 3.87 -0.17 4.92 0.41 -0.25 -1.21 118.70 128.45 1jjj s GLU 57 Ca 0.11 -0.37 -0.21 0.00 -0.41 0.00 0.00 54.97 54.10 1jjj s GLU 57 Cb -0.19 -3.54 0.05 0.00 -1.78 0.00 0.00 34.13 28.67 1jjj s GLU 57 CO 0.12 -0.16 0.56 0.45 -0.49 0.00 0.00 175.26 175.73 1jjj s SER 58 N 1.65 -0.56 0.52 -0.19 0.15 -1.26 -1.69 113.70 112.32 1jjj s SER 58 Ca 0.07 0.97 0.16 0.00 0.70 0.00 0.00 55.95 57.86 1jjj s SER 58 Cb -0.16 0.98 1.28 0.00 -1.71 0.00 0.00 66.02 66.41 1jjj s SER 58 CO 0.08 -0.29 2.14 0.71 1.20 0.00 0.00 173.24 177.09 1jjj h THR 59 N 4.02 0.99 0.22 6.45 1.35 -1.99 -2.72 112.91 121.22 1jjj h THR 59 Ca -0.28 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 1jjj h THR 59 Cb 1.17 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1jjj h THR 59 CO 0.21 0.01 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.32 1jjj h LEU 60 N 0.00 -0.25 -6.65 3.87 3.38 -1.99 -3.45 115.31 110.22 1jjj h LEU 60 Ca -0.00 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1jjj h LEU 60 Cb 0.02 0.06 -0.23 0.00 0.09 0.00 0.00 40.66 40.60 1jjj h LEU 60 CO 0.00 0.08 -0.28 -0.75 0.09 0.00 0.00 178.44 177.59 1jjj s LYS 61 N -4.87 0.49 -0.13 1.13 2.36 -1.19 -5.15 119.74 112.37 1jjj s LYS 61 Ca -0.15 1.09 -0.18 0.00 -2.55 0.00 0.00 55.97 54.19 1jjj s LYS 61 Cb 0.03 0.46 -0.04 0.00 -1.05 0.00 0.00 37.83 37.22 1jjj s LYS 61 CO 0.59 -0.40 0.48 0.99 1.55 0.00 0.00 175.35 178.56 1jjj s THR 62 N 2.77 5.18 -0.13 3.43 2.01 -1.03 -4.08 115.64 123.79 1jjj s THR 62 Ca 0.06 0.94 -0.02 0.00 0.31 0.00 0.00 61.69 62.98 1jjj s THR 62 Cb -0.13 -3.81 0.04 0.00 0.01 0.00 0.00 72.50 68.60 1jjj s THR 62 CO -0.18 0.30 -0.01 0.42 -0.69 0.00 0.00 174.62 174.47 1jjj s THR 63 N 0.80 0.62 0.12 -0.82 -4.23 -0.35 -4.98 115.64 106.80 1jjj s THR 63 Ca 0.25 -0.26 0.09 0.00 -1.18 0.00 0.00 61.69 60.59 1jjj s THR 63 Cb -0.15 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 1jjj s THR 63 CO 0.10 0.10 -0.19 0.00 -0.54 0.00 0.00 174.62 174.09 1jjj s GLN 64 N 1.85 1.72 -0.04 3.99 1.03 -1.26 -1.47 119.66 125.48 1jjj s GLN 64 Ca 0.02 -1.22 -0.20 0.00 0.04 0.00 0.00 55.36 54.00 1jjj s GLN 64 Cb -0.14 -2.07 0.04 0.00 0.03 0.00 0.00 33.01 30.86 1jjj s GLN 64 CO -0.07 0.47 0.44 -0.59 -2.54 0.00 0.00 175.29 173.01 1jjj s PHE 65 N -1.16 -0.36 -0.15 9.60 -0.12 -0.13 -5.01 117.98 120.65 1jjj s PHE 65 Ca 0.18 0.62 -0.01 0.00 -0.05 0.00 0.00 56.93 57.67 1jjj s PHE 65 Cb -0.10 0.21 0.04 0.00 -0.63 0.00 0.00 43.02 42.53 1jjj s PHE 65 CO 0.10 -0.45 -0.02 -1.54 -0.05 0.00 0.00 175.22 173.25 1jjj s SER 66 N -1.17 2.51 0.07 1.98 1.04 -1.26 -1.07 113.70 115.80 1jjj s SER 66 Ca -0.12 -0.54 -0.13 0.00 0.48 0.00 0.00 55.95 55.65 1jjj s SER 66 Cb -0.03 -0.73 0.02 0.00 0.10 0.00 0.00 66.02 65.37 1jjj s SER 66 CO 0.06 -0.21 0.29 0.00 0.98 0.00 0.00 173.24 174.37 1jjj s THR 68 N -3.12 4.86 -0.02 0.00 2.01 -1.26 -1.23 115.64 116.88 1jjj s THR 68 Ca -0.01 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 1jjj s THR 68 Cb 0.01 -3.64 -0.07 0.00 0.01 0.00 0.00 72.50 68.82 1jjj s THR 68 CO -0.07 -0.17 1.75 -0.76 -0.69 0.00 0.00 174.62 174.68 1jjj s LEU 69 N -3.04 4.36 0.00 4.42 1.02 0.06 -1.62 118.68 123.88 1jjj s LEU 69 Ca 0.49 2.38 0.00 0.00 0.02 0.00 0.00 54.13 57.02 1jjj s LEU 69 Cb -0.11 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.57 1jjj s LEU 69 CO 0.22 -0.96 0.00 0.61 0.02 0.00 0.00 176.35 176.24 1jjj n GLY 70 N 4.25 3.07 3.83 -3.19 0.00 0.31 -5.01 105.19 108.45 1jjj n GLY 70 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1jjj n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jjj s GLU 71 N -0.23 4.08 0.08 1.61 2.12 -0.64 -4.83 118.70 120.89 1jjj s GLU 71 Ca 0.00 0.61 -0.09 0.00 0.36 0.00 0.00 54.97 55.85 1jjj s GLU 71 Cb 0.00 -3.02 -0.06 0.00 0.26 0.00 0.00 34.13 31.31 1jjj s GLU 71 CO 0.00 0.52 0.38 -1.59 -0.54 0.00 0.00 175.26 174.03 1jjj s LYS 72 N -1.69 3.72 0.19 4.30 -2.85 -1.26 -2.41 119.74 119.73 1jjj s LYS 72 Ca 0.36 0.11 0.05 0.00 -1.00 0.00 0.00 55.97 55.48 1jjj s LYS 72 Cb -0.17 -2.99 -0.05 0.00 -2.06 0.00 0.00 37.83 32.57 1jjj s LYS 72 CO 0.19 0.56 -0.07 -0.59 0.10 0.00 0.00 175.35 175.54 1jjj s PHE 73 N -1.42 1.44 -0.72 1.78 -0.71 -0.94 -4.89 117.98 112.52 1jjj s PHE 73 Ca 0.33 -0.79 -0.27 0.00 -1.04 0.00 0.00 56.93 55.16 1jjj s PHE 73 Cb -0.14 -0.76 0.03 0.00 -1.21 0.00 0.00 43.02 40.94 1jjj s PHE 73 CO 0.19 0.08 1.27 -2.00 -1.34 0.00 0.00 175.22 173.41 1jjj s GLU 74 N -3.77 3.23 0.21 1.99 2.12 -1.26 -0.87 118.70 120.35 1jjj s GLU 74 Ca 0.22 -0.18 -0.29 0.00 0.36 0.00 0.00 54.97 55.07 1jjj s GLU 74 Cb 0.03 -4.16 -0.08 0.00 0.26 0.00 0.00 34.13 30.18 1jjj s GLU 74 CO 0.04 -2.09 0.92 -2.00 -0.54 0.00 0.00 175.26 171.60 1jjj s GLU 75 N 5.63 4.80 -0.27 4.30 -6.30 -0.63 -4.94 118.70 121.28 1jjj s GLU 75 Ca 0.36 1.44 0.01 0.00 -2.50 0.00 0.00 54.97 54.28 1jjj s GLU 75 Cb -0.08 -3.29 0.05 0.00 0.00 0.00 0.00 34.13 30.81 1jjj s GLU 75 CO 0.16 0.48 -0.06 0.99 0.02 0.00 0.00 175.26 176.85 1jjj s THR 76 N -0.98 2.56 0.37 -1.70 2.01 -1.26 -0.64 115.64 116.00 1jjj s THR 76 Ca 0.41 -1.48 -0.28 0.00 0.31 0.00 0.00 61.69 60.66 1jjj s THR 76 Cb -0.25 -2.47 -0.10 0.00 0.01 0.00 0.00 72.50 69.69 1jjj s THR 76 CO 0.31 -0.04 1.36 0.42 -0.69 0.00 0.00 174.62 175.98 1jjj s THR 77 N 1.18 2.48 0.61 -0.82 -4.23 -0.42 -4.93 115.64 109.51 1jjj s THR 77 Ca -0.07 0.47 0.28 0.00 -1.18 0.00 0.00 61.69 61.19 1jjj s THR 77 Cb -0.20 -3.29 0.36 0.00 1.34 0.00 0.00 72.50 70.71 1jjj s THR 77 CO -0.03 0.10 1.78 0.00 -0.54 0.00 0.00 174.62 175.92 1jjj h ALA 78 N 3.03 2.18 0.00 3.99 0.00 -2.00 -0.78 119.26 125.68 1jjj h ALA 78 Ca -0.50 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 1jjj h ALA 78 Cb 1.24 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1jjj h ALA 78 CO 0.64 -0.84 -1.47 -3.47 0.00 0.00 0.00 179.25 174.12 1jjj n ASP 79 N -3.48 0.70 0.00 0.00 -0.08 -1.26 -5.06 116.55 107.38 1jjj n ASP 79 Ca 0.09 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.67 1jjj n ASP 79 Cb 0.78 0.47 0.00 0.00 2.34 0.00 0.00 41.12 44.71 1jjj n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jjj n GLY 80 N 1.37 0.47 3.77 0.27 0.00 -0.30 -5.00 105.19 105.76 1jjj n GLY 80 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1jjj n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jjj s ARG 81 N 0.00 4.24 -0.50 1.61 0.52 -1.26 -4.57 118.95 118.99 1jjj s ARG 81 Ca 0.00 2.38 -0.24 0.00 -0.52 0.00 0.00 55.73 57.35 1jjj s ARG 81 Cb 0.00 -3.04 0.04 0.00 0.52 0.00 0.00 34.95 32.46 1jjj s ARG 81 CO 0.00 -0.38 0.88 0.15 0.02 0.00 0.00 175.30 175.96 1jjj s LYS 82 N -1.50 3.37 -0.22 3.54 -0.14 -1.26 -1.30 119.74 122.22 1jjj s LYS 82 Ca 0.53 -0.18 -0.03 0.00 -1.36 0.00 0.00 55.97 54.93 1jjj s LYS 82 Cb -0.43 -4.00 -0.00 0.00 -1.68 0.00 0.00 37.83 31.72 1jjj s LYS 82 CO 0.54 -1.32 -0.05 0.95 -0.76 0.00 0.00 175.35 174.70 1jjj s THR 83 N 3.65 3.21 -0.78 2.17 -4.23 0.19 -4.68 115.64 115.17 1jjj s THR 83 Ca 0.30 -0.61 -0.25 0.00 -1.18 0.00 0.00 61.69 59.95 1jjj s THR 83 Cb -0.12 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 1jjj s THR 83 CO 0.21 0.39 1.79 -1.10 -0.54 0.00 0.00 174.62 175.37 1jjj s GLN 84 N 1.44 2.75 -0.51 3.99 -1.52 0.73 -1.61 119.66 124.94 1jjj s GLN 84 Ca 0.05 -0.01 -0.15 0.00 -1.95 0.00 0.00 55.36 53.30 1jjj s GLN 84 Cb -0.15 -4.73 0.11 0.00 -0.22 0.00 0.00 33.01 28.02 1jjj s GLN 84 CO -0.04 -2.87 0.45 0.99 -0.25 0.00 0.00 175.29 173.56 1jjj s THR 85 N 8.71 5.12 -0.30 -0.19 2.01 -0.05 -2.10 115.64 128.83 1jjj s THR 85 Ca 0.63 -1.37 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 1jjj s THR 85 Cb -0.09 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1jjj s THR 85 CO 0.09 -0.75 0.86 0.54 -0.69 0.00 0.00 174.62 174.66 1jjj s VAL 86 N 1.59 4.73 -0.38 3.82 0.11 -0.68 -2.22 120.40 127.37 1jjj s VAL 86 Ca 0.04 1.34 -0.21 0.00 -2.93 0.00 0.00 61.98 60.21 1jjj s VAL 86 Cb -0.28 -4.21 0.01 0.00 -1.53 0.00 0.00 36.38 30.38 1jjj s VAL 86 CO 0.04 -0.29 0.67 0.00 -3.33 0.00 0.00 175.10 172.20 1jjj s ASN 88 N 1.88 2.05 -0.32 0.00 0.01 -0.80 -0.53 114.94 117.22 1jjj s ASN 88 Ca 0.26 -0.32 -0.23 0.00 -0.71 0.00 0.00 52.86 51.85 1jjj s ASN 88 Cb -0.14 -0.87 0.00 0.00 0.41 0.00 0.00 41.25 40.66 1jjj s ASN 88 CO 0.17 -0.04 0.79 0.12 -1.51 0.00 0.00 177.10 176.62 1jjj s PHE 89 N 1.22 3.19 -0.23 2.20 5.36 -1.26 -0.52 117.98 127.94 1jjj s PHE 89 Ca -0.04 0.78 -0.21 0.00 -0.96 0.00 0.00 56.93 56.50 1jjj s PHE 89 Cb -0.14 -3.25 0.06 0.00 -0.34 0.00 0.00 43.02 39.35 1jjj s PHE 89 CO -0.03 -0.59 0.61 -0.08 -1.46 0.00 0.00 175.22 173.66 1jjj s THR 90 N 2.98 0.00 -1.15 0.12 -1.32 -0.27 -4.97 115.64 111.03 1jjj s THR 90 Ca 0.32 -0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.76 1jjj s THR 90 Cb -0.14 -0.85 -0.03 0.00 -1.51 0.00 0.00 72.50 69.98 1jjj s THR 90 CO 0.13 -0.00 0.90 -0.67 -2.21 0.00 0.00 174.62 172.77 1jjj n ASP 91 N 2.73 -4.01 -3.82 8.08 2.03 -1.26 -2.94 116.55 117.36 1jjj n ASP 91 Ca -0.14 -0.72 -0.30 0.00 0.52 0.00 0.00 54.79 54.15 1jjj n ASP 91 Cb 0.56 -4.83 -0.01 0.00 -0.72 0.00 0.00 41.12 36.11 1jjj n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 92 N -1.29 -0.47 3.44 0.27 0.00 -1.26 -4.91 105.19 100.97 1jjj n GLY 92 Ca -0.19 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 1jjj n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jjj s ALA 93 N -3.13 -1.38 -0.50 4.61 0.00 -1.15 -2.91 121.76 117.30 1jjj s ALA 93 Ca 0.60 1.29 -0.21 0.00 0.00 0.00 0.00 51.96 53.64 1jjj s ALA 93 Cb -0.32 -0.50 0.04 0.00 0.00 0.00 0.00 23.12 22.34 1jjj s ALA 93 CO 0.73 -0.29 0.74 -1.17 0.00 0.00 0.00 175.76 175.77 1jjj s LEU 94 N -0.38 4.55 -0.86 0.00 2.96 -0.91 -1.11 118.68 122.92 1jjj s LEU 94 Ca -0.05 -0.56 -0.25 0.00 -0.22 0.00 0.00 54.13 53.04 1jjj s LEU 94 Cb -0.03 -2.66 0.04 0.00 0.50 0.00 0.00 46.19 44.04 1jjj s LEU 94 CO 0.04 -0.98 1.34 -0.69 -1.32 0.00 0.00 176.35 174.75 1jjj s VAL 95 N 3.13 3.82 -0.88 1.68 1.01 0.32 -1.01 120.40 128.48 1jjj s VAL 95 Ca 0.22 -0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.90 1jjj s VAL 95 Cb -0.16 -4.97 0.11 0.00 0.00 0.00 0.00 36.38 31.36 1jjj s VAL 95 CO 0.16 -1.88 1.12 -1.58 0.00 0.00 0.00 175.10 172.92 1jjj s GLN 96 N 5.38 3.49 -0.51 2.72 0.74 -0.33 -1.91 119.66 129.23 1jjj s GLN 96 Ca 0.39 -1.48 -0.22 0.00 0.05 0.00 0.00 55.36 54.11 1jjj s GLN 96 Cb -0.05 -4.81 0.04 0.00 1.10 0.00 0.00 33.01 29.30 1jjj s GLN 96 CO 0.04 -1.83 0.77 -1.58 -0.55 0.00 0.00 175.29 172.14 1jjj s HIS 97 N 3.24 2.94 -0.25 1.67 5.65 -0.70 -1.29 115.29 126.56 1jjj s HIS 97 Ca 0.32 -0.22 -0.21 0.00 0.25 0.00 0.00 55.06 55.20 1jjj s HIS 97 Cb -0.07 -3.74 -0.02 0.00 -1.18 0.00 0.00 32.58 27.57 1jjj s HIS 97 CO -0.05 -1.14 0.65 -0.65 -0.65 0.00 0.00 174.74 172.90 1jjj s GLN 98 N 3.23 4.12 -0.12 2.88 -0.21 0.29 -1.68 119.66 128.16 1jjj s GLN 98 Ca 0.23 0.59 0.02 0.00 0.02 0.00 0.00 55.36 56.21 1jjj s GLN 98 Cb -0.15 -3.65 0.02 0.00 1.00 0.00 0.00 33.01 30.22 1jjj s GLN 98 CO 0.16 -0.43 -0.16 -2.00 -2.12 0.00 0.00 175.29 170.75 1jjj s GLU 99 N 2.54 2.34 -0.27 2.91 -6.30 -0.89 -1.04 118.70 117.99 1jjj s GLU 99 Ca 0.27 -0.60 -0.07 0.00 -2.50 0.00 0.00 54.97 52.06 1jjj s GLU 99 Cb -0.15 -2.00 0.13 0.00 0.00 0.00 0.00 34.13 32.11 1jjj s GLU 99 CO 0.08 -0.08 0.57 1.67 0.02 0.00 0.00 175.26 177.52 1jjj s TRP 100 N 1.04 -1.22 -0.81 5.30 -2.14 -0.62 -0.19 118.94 120.29 1jjj s TRP 100 Ca -0.05 1.94 -0.14 0.00 2.66 0.00 0.00 56.10 60.51 1jjj s TRP 100 Cb -0.15 0.60 0.02 0.00 -3.10 0.00 0.00 33.47 30.84 1jjj s TRP 100 CO -0.03 -0.66 0.27 -3.47 -2.66 0.00 0.00 176.95 170.40 1jjj n ASP 101 N 5.43 -1.44 0.00 -2.66 2.03 -1.26 -1.45 116.55 117.20 1jjj n ASP 101 Ca -0.09 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.43 1jjj n ASP 101 Cb 0.49 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 1jjj n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 102 N -1.76 2.78 3.79 0.27 0.00 -1.26 -5.06 105.19 103.95 1jjj n GLY 102 Ca -0.11 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 1jjj n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 103 N 0.00 4.24 0.03 1.61 1.02 -0.53 -5.10 119.74 121.01 1jjj s LYS 103 Ca 0.00 1.39 -0.04 0.00 0.02 0.00 0.00 55.97 57.34 1jjj s LYS 103 Cb 0.00 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.80 1jjj s LYS 103 CO 0.00 -0.05 0.06 -1.83 -0.92 0.00 0.00 175.35 172.61 1jjj s GLU 104 N -2.58 0.49 -0.08 1.68 -1.05 -1.26 -1.59 118.70 114.32 1jjj s GLU 104 Ca 0.58 -0.69 -0.00 0.00 -0.15 0.00 0.00 54.97 54.71 1jjj s GLU 104 Cb -0.18 0.19 0.02 0.00 -0.44 0.00 0.00 34.13 33.72 1jjj s GLU 104 CO 0.23 -0.11 -0.04 0.45 0.95 0.00 0.00 175.26 176.74 1jjj s SER 105 N -1.87 1.63 -0.37 0.83 0.15 -0.21 -2.63 113.70 111.23 1jjj s SER 105 Ca -0.09 -0.18 -0.22 0.00 0.70 0.00 0.00 55.95 56.16 1jjj s SER 105 Cb -0.04 -0.59 0.01 0.00 -1.71 0.00 0.00 66.02 63.69 1jjj s SER 105 CO -0.03 -0.12 0.73 0.42 1.20 0.00 0.00 173.24 175.44 1jjj s THR 106 N 1.55 4.78 -0.64 6.45 -4.23 -0.70 -0.55 115.64 122.29 1jjj s THR 106 Ca -0.00 0.73 -0.09 0.00 -1.18 0.00 0.00 61.69 61.15 1jjj s THR 106 Cb -0.13 -4.18 0.17 0.00 1.34 0.00 0.00 72.50 69.70 1jjj s THR 106 CO -0.04 -0.42 0.52 -0.63 -0.54 0.00 0.00 174.62 173.50 1jjj s ILE 107 N 2.99 4.51 -0.61 2.99 -1.09 -0.41 -2.34 121.20 127.23 1jjj s ILE 107 Ca 0.29 -2.42 -0.19 0.00 -2.23 0.00 0.00 60.65 56.10 1jjj s ILE 107 Cb -0.14 -3.88 0.11 0.00 -1.58 0.00 0.00 42.46 36.97 1jjj s ILE 107 CO 0.17 -0.90 0.72 -0.89 -1.23 0.00 0.00 174.94 172.81 1jjj s THR 108 N 0.47 4.83 -0.97 2.92 2.01 -0.16 -1.19 115.64 123.56 1jjj s THR 108 Ca 0.14 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 60.90 1jjj s THR 108 Cb -0.19 -4.50 0.12 0.00 0.01 0.00 0.00 72.50 67.94 1jjj s THR 108 CO -0.04 -1.14 1.20 -0.13 -0.69 0.00 0.00 174.62 173.81 1jjj s ARG 109 N 2.64 3.64 -0.00 4.92 0.52 -0.18 -0.87 118.95 129.62 1jjj s ARG 109 Ca 0.12 -1.74 0.07 0.00 -0.52 0.00 0.00 55.73 53.66 1jjj s ARG 109 Cb -0.23 -4.99 -0.03 0.00 0.52 0.00 0.00 34.95 30.22 1jjj s ARG 109 CO 0.05 -1.84 -0.22 -1.59 0.02 0.00 0.00 175.30 171.73 1jjj s LYS 110 N 2.92 2.12 -0.37 3.54 -2.85 -0.53 -2.14 119.74 122.42 1jjj s LYS 110 Ca 0.35 -0.93 -0.28 0.00 -1.00 0.00 0.00 55.97 54.12 1jjj s LYS 110 Cb -0.04 -2.13 0.02 0.00 -2.06 0.00 0.00 37.83 33.62 1jjj s LYS 110 CO -0.09 0.56 1.02 -1.17 0.10 0.00 0.00 175.35 175.77 1jjj s LEU 111 N -0.93 3.91 -0.07 2.77 1.98 -1.14 -0.63 118.68 124.56 1jjj s LEU 111 Ca 0.12 0.72 -0.00 0.00 -2.89 0.00 0.00 54.13 52.08 1jjj s LEU 111 Cb -0.10 -3.41 0.02 0.00 0.66 0.00 0.00 46.19 43.36 1jjj s LEU 111 CO 0.01 -0.94 -0.03 -0.54 -1.89 0.00 0.00 176.35 172.96 1jjj s LYS 112 N 3.73 0.86 -1.27 1.98 1.02 -0.32 -4.94 119.74 120.79 1jjj s LYS 112 Ca 0.43 -0.05 -0.00 0.00 0.02 0.00 0.00 55.97 56.37 1jjj s LYS 112 Cb -0.11 -1.01 0.00 0.00 -0.52 0.00 0.00 37.83 36.19 1jjj s LYS 112 CO 0.20 -0.20 0.81 -0.25 -0.92 0.00 0.00 175.35 174.99 1jjj n ASP 113 N 4.62 -1.55 0.00 2.83 9.92 -1.26 -2.05 116.55 129.06 1jjj n ASP 113 Ca -0.16 -0.75 0.00 0.00 -0.53 0.00 0.00 54.79 53.36 1jjj n ASP 113 Cb 0.50 -4.43 0.00 0.00 -0.64 0.00 0.00 41.12 36.56 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jjj n GLY 114 N -1.43 2.12 3.58 0.44 0.00 -1.26 -5.03 105.19 103.61 1jjj n GLY 114 Ca -0.29 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 1jjj n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 115 N 0.00 2.06 -0.44 1.61 1.02 -0.87 -4.86 119.74 118.25 1jjj s LYS 115 Ca 0.00 -1.50 -0.27 0.00 0.02 0.00 0.00 55.97 54.23 1jjj s LYS 115 Cb 0.00 -2.04 0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1jjj s LYS 115 CO 0.00 0.37 0.98 -1.17 -0.92 0.00 0.00 175.35 174.61 1jjj s LEU 116 N -3.46 3.91 -0.39 3.17 2.96 -0.27 -1.17 118.68 123.42 1jjj s LEU 116 Ca 0.30 0.33 -0.14 0.00 -0.22 0.00 0.00 54.13 54.39 1jjj s LEU 116 Cb -0.06 -3.31 0.01 0.00 0.50 0.00 0.00 46.19 43.33 1jjj s LEU 116 CO 0.17 -1.06 0.28 -0.69 -1.32 0.00 0.00 176.35 173.74 1jjj s VAL 117 N 3.87 5.21 -0.68 1.68 1.01 0.20 -0.80 120.40 130.89 1jjj s VAL 117 Ca 0.40 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1jjj s VAL 117 Cb -0.10 -3.86 0.14 0.00 0.00 0.00 0.00 36.38 32.56 1jjj s VAL 117 CO 0.26 -0.25 0.75 -0.69 0.00 0.00 0.00 175.10 175.16 1jjj s VAL 118 N 1.68 5.04 -0.69 2.92 1.01 0.02 -1.45 120.40 128.92 1jjj s VAL 118 Ca 0.05 -1.47 -0.23 0.00 0.00 0.00 0.00 61.98 60.33 1jjj s VAL 118 Cb -0.19 -4.50 0.07 0.00 0.00 0.00 0.00 36.38 31.76 1jjj s VAL 118 CO 0.10 -1.12 1.02 -1.61 0.00 0.00 0.00 175.10 173.49 1jjj s GLU 119 N 1.99 3.16 -0.43 2.72 2.02 -0.05 -1.18 118.70 126.93 1jjj s GLU 119 Ca 0.14 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.35 1jjj s GLU 119 Cb -0.19 -4.28 0.11 0.00 0.10 0.00 0.00 34.13 29.87 1jjj s GLU 119 CO 0.00 -1.86 0.15 0.00 0.02 0.00 0.00 175.26 173.58 1jjj s VAL 121 N 0.38 4.17 -0.24 0.00 0.11 -0.99 -1.01 120.40 122.82 1jjj s VAL 121 Ca 0.14 -0.35 0.02 0.00 -2.93 0.00 0.00 61.98 58.86 1jjj s VAL 121 Cb -0.22 -2.76 0.05 0.00 -1.53 0.00 0.00 36.38 31.92 1jjj s VAL 121 CO -0.04 0.57 -0.12 -0.32 -3.33 0.00 0.00 175.10 171.85 1jjj s MET 122 N -0.98 2.45 -1.30 1.54 1.75 0.31 -1.72 119.30 121.35 1jjj s MET 122 Ca 0.14 -1.21 -0.00 0.00 -1.25 0.00 0.00 55.69 53.37 1jjj s MET 122 Cb -0.11 -2.84 -0.00 0.00 2.84 0.00 0.00 34.83 34.71 1jjj s MET 122 CO 0.03 -0.49 0.71 0.09 -0.65 0.00 0.00 175.02 174.72 1jjj n ASN 123 N 4.50 -1.30 0.00 1.11 3.02 -1.08 -1.01 115.26 120.50 1jjj n ASN 123 Ca -0.16 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1jjj n ASN 123 Cb 0.44 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 1jjj n ASN 123 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jjj n ASN 124 N -3.06 0.00 -4.55 6.41 2.85 -1.26 -5.02 115.26 110.63 1jjj n ASN 124 Ca -0.30 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 53.83 1jjj n ASN 124 Cb 0.68 -1.34 -0.11 0.00 1.24 0.00 0.00 39.78 40.24 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1jjj s VAL 125 N -2.06 4.27 -0.04 3.44 1.01 -0.18 -5.07 120.40 121.77 1jjj s VAL 125 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1jjj s VAL 125 Cb 0.00 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1jjj s VAL 125 CO 0.00 0.47 -0.25 0.42 0.00 0.00 0.00 175.10 175.74 1jjj s THR 126 N 0.41 2.03 0.24 3.92 -4.23 -1.26 -0.53 115.64 116.23 1jjj s THR 126 Ca -0.01 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1jjj s THR 126 Cb -0.13 -1.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 1jjj s THR 126 CO 0.02 0.57 0.04 0.00 -0.54 0.00 0.00 174.62 174.71 1jjj s THR 128 N -3.59 -0.23 -0.22 0.00 2.01 -0.30 -1.85 115.64 111.47 1jjj s THR 128 Ca 0.32 0.28 -0.05 0.00 0.31 0.00 0.00 61.69 62.55 1jjj s THR 128 Cb 0.07 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.23 1jjj s THR 128 CO 0.11 0.11 -0.02 -0.13 -0.69 0.00 0.00 174.62 174.00 1jjj s ARG 129 N 1.98 3.47 -0.29 4.92 0.52 -0.32 -1.55 118.95 127.68 1jjj s ARG 129 Ca -0.01 -0.58 -0.18 0.00 -0.52 0.00 0.00 55.73 54.43 1jjj s ARG 129 Cb -0.12 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 1jjj s ARG 129 CO -0.07 -0.14 0.52 0.42 0.02 0.00 0.00 175.30 176.06 1jjj s ILE 130 N 1.36 5.04 -0.13 1.52 -1.09 -0.25 -0.80 121.20 126.86 1jjj s ILE 130 Ca 0.04 0.74 0.02 0.00 -2.23 0.00 0.00 60.65 59.22 1jjj s ILE 130 Cb -0.14 -3.87 -0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1jjj s ILE 130 CO -0.01 -0.01 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.19 1jjj s TYR 131 N 2.36 2.69 0.01 3.97 1.51 0.01 -1.14 117.35 126.77 1jjj s TYR 131 Ca 0.21 -1.06 0.04 0.00 -1.01 0.00 0.00 57.07 55.25 1jjj s TYR 131 Cb -0.15 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 1jjj s TYR 131 CO 0.11 -0.45 -0.09 -1.83 -1.11 0.00 0.00 175.55 172.17 1jjj s GLU 132 N 0.59 2.45 -0.18 -0.62 -1.05 -0.19 -1.12 118.70 118.58 1jjj s GLU 132 Ca -0.11 -0.78 -0.29 0.00 -0.15 0.00 0.00 54.97 53.64 1jjj s GLU 132 Cb -0.16 -2.43 -0.01 0.00 -0.44 0.00 0.00 34.13 31.09 1jjj s GLU 132 CO 0.03 0.59 1.20 0.21 0.95 0.00 0.00 175.26 178.24 1jjj s LYS 133 N -1.43 4.24 -1.15 -4.83 2.20 -1.26 -0.58 119.74 116.91 1jjj s LYS 133 Ca 0.17 1.58 -0.08 0.00 -0.36 0.00 0.00 55.97 57.28 1jjj s LYS 133 Cb -0.11 -3.73 0.25 0.00 -1.51 0.00 0.00 37.83 32.73 1jjj s LYS 133 CO 0.07 -0.69 1.50 0.28 -0.36 0.00 0.00 175.35 176.15 1jjj n VAL 134 N 5.37 4.81 -1.60 4.02 0.31 -0.03 -4.97 118.33 126.24 1jjj n VAL 134 Ca 0.13 -5.30 0.00 0.00 -0.01 0.00 0.00 64.34 59.16 1jjj n VAL 134 Cb 0.45 -2.30 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 1jjj n VAL 134 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89