#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjj n VAL 4 N 0.00 0.00 -0.20 12.58 3.14 -1.26 -4.47 118.33 128.12 1jjj n VAL 4 Ca 0.00 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.34 1jjj n VAL 4 Cb 0.00 0.00 0.15 0.00 -1.06 0.00 0.00 33.84 32.93 1jjj n VAL 4 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1jjj h GLN 5 N 0.00 0.99 0.00 1.45 -0.00 -1.98 -2.72 115.11 112.84 1jjj h GLN 5 Ca 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 58.65 58.46 1jjj h GLN 5 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 27.48 27.32 1jjj h GLN 5 CO 0.00 0.82 -0.07 1.96 0.00 0.00 0.00 178.83 181.55 1jjj h GLN 6 N 0.96 0.00 0.00 1.69 4.20 -2.02 -2.33 115.11 117.61 1jjj h GLN 6 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1jjj h GLN 6 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1jjj h GLN 6 CO -0.01 0.07 0.00 1.28 -0.67 0.00 0.00 178.83 179.49 1jjj n LEU 7 N -3.83 0.00 -4.79 1.46 4.77 -1.03 -4.89 117.00 108.70 1jjj n LEU 7 Ca -0.02 0.38 -0.38 0.00 -0.03 0.00 0.00 56.01 55.96 1jjj n LEU 7 Cb 0.16 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1jjj n LEU 7 CO 0.30 -0.18 0.53 -1.61 -1.33 0.00 0.00 177.39 175.10 1jjj s GLU 8 N -2.76 4.52 0.00 3.23 2.02 -0.88 -4.72 118.70 120.11 1jjj s GLU 8 Ca 0.12 1.17 0.00 0.00 0.02 0.00 0.00 54.97 56.27 1jjj s GLU 8 Cb 0.10 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.31 1jjj s GLU 8 CO 0.25 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.37 1jjj n GLY 9 N 1.02 2.30 3.50 -1.39 0.00 -0.52 -4.96 105.19 105.14 1jjj n GLY 9 Ca -0.02 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.94 3.24 -0.50 1.61 3.52 -1.26 -1.21 118.95 122.41 1jjj s ARG 10 Ca 0.00 -0.48 -0.14 0.00 -0.13 0.00 0.00 55.73 54.98 1jjj s ARG 10 Cb 0.00 -4.12 0.11 0.00 -1.56 0.00 0.00 34.95 29.38 1jjj s ARG 10 CO 0.00 -1.61 0.43 -1.58 -0.81 0.00 0.00 175.30 171.73 1jjj s TRP 11 N 4.01 3.28 0.14 5.12 0.52 -0.46 -0.51 118.94 131.04 1jjj s TRP 11 Ca 0.27 -1.30 -0.18 0.00 0.02 0.00 0.00 56.10 54.91 1jjj s TRP 11 Cb -0.14 -3.51 -0.07 0.00 -1.15 0.00 0.00 33.47 28.60 1jjj s TRP 11 CO 0.16 -0.94 0.62 -0.98 0.02 0.00 0.00 176.95 175.82 1jjj s ARG 12 N 1.56 4.17 0.05 4.98 1.70 0.00 -0.75 118.95 130.67 1jjj s ARG 12 Ca 0.04 0.73 -0.31 0.00 -0.47 0.00 0.00 55.73 55.72 1jjj s ARG 12 Cb -0.27 -3.06 -0.06 0.00 -0.57 0.00 0.00 34.95 30.98 1jjj s ARG 12 CO 0.03 0.53 1.35 -1.17 -1.08 0.00 0.00 175.30 174.96 1jjj s LEU 13 N -1.58 4.35 -0.07 -1.89 2.96 -1.10 -1.35 118.68 119.99 1jjj s LEU 13 Ca 0.35 2.16 -0.07 0.00 -0.22 0.00 0.00 54.13 56.35 1jjj s LEU 13 Cb -0.18 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1jjj s LEU 13 CO 0.20 -0.64 -0.16 1.33 -1.32 0.00 0.00 176.35 175.76 1jjj n VAL 14 N 4.24 1.05 -4.34 1.68 0.24 -0.40 -4.92 118.33 115.88 1jjj n VAL 14 Ca 0.12 0.07 -0.29 0.00 -2.04 0.00 0.00 64.34 62.21 1jjj n VAL 14 Cb 0.44 -1.81 -0.12 0.00 -1.47 0.00 0.00 33.84 30.88 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 -6.04 3.71 -0.39 -1.34 2.15 -1.10 -4.99 116.67 108.66 1jjj s ASP 15 Ca -0.15 -0.66 0.11 0.00 0.43 0.00 0.00 52.55 52.27 1jjj s ASP 15 Cb 0.04 -0.43 0.35 0.00 -0.30 0.00 0.00 42.92 42.58 1jjj s ASP 15 CO 0.21 0.16 0.83 -0.24 -0.17 0.00 0.00 175.17 175.96 1jjj n SER 16 N 0.64 0.16 -4.66 -0.34 2.88 -1.26 -0.96 113.62 110.09 1jjj n SER 16 Ca -0.15 -3.13 -0.43 0.00 -1.33 0.00 0.00 58.87 53.84 1jjj n SER 16 Cb 0.54 -0.06 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 1jjj n SER 16 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1jjj s LYS 17 N -1.87 4.21 0.00 -1.46 2.20 -0.71 -2.70 119.74 119.41 1jjj s LYS 17 Ca 0.35 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 1jjj s LYS 17 Cb 0.35 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1jjj s LYS 17 CO -0.07 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 1jjj n GLY 18 N 3.65 0.76 0.29 5.54 0.00 -1.26 -0.83 105.19 113.35 1jjj n GLY 18 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1jjj n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jjj h PHE 19 N 0.00 0.20 -0.09 1.61 3.57 -1.65 -2.57 116.94 118.01 1jjj h PHE 19 Ca 0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1jjj h PHE 19 Cb 0.00 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 1jjj h PHE 19 CO 0.00 0.12 -0.29 0.22 -2.23 0.00 0.00 178.31 176.13 1jjj h ASP 20 N 0.21 -0.90 -0.55 0.41 3.58 -1.91 -1.38 116.42 115.89 1jjj h ASP 20 Ca 0.09 0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.72 1jjj h ASP 20 Cb 0.11 0.38 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 1jjj h ASP 20 CO -0.02 -0.34 0.28 1.05 -2.88 0.00 0.00 179.24 177.33 1jjj h GLU 21 N -0.39 0.52 -0.11 0.28 4.11 -1.78 -2.85 114.58 114.36 1jjj h GLU 21 Ca 0.09 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.50 1jjj h GLU 21 Cb 0.52 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1jjj h GLU 21 CO -0.31 0.34 0.01 -0.92 0.07 0.00 0.00 179.01 178.21 1jjj h TYR 22 N 0.54 0.02 -0.86 2.06 3.20 -1.43 -1.68 116.97 118.82 1jjj h TYR 22 Ca 0.24 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.21 1jjj h TYR 22 Cb 0.15 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 1jjj h TYR 22 CO -0.10 0.00 0.56 0.00 -1.64 0.00 0.00 178.16 176.98 1jjj h MET 23 N 0.06 0.83 -0.22 1.82 -0.00 -1.30 -0.27 114.93 115.85 1jjj h MET 23 Ca 0.05 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1jjj h MET 23 Cb 0.05 -0.19 -0.01 0.00 -0.00 0.00 0.00 31.60 31.45 1jjj h MET 23 CO -0.07 0.55 0.08 0.87 -0.00 0.00 0.00 176.91 178.33 1jjj h LYS 24 N 0.85 0.34 -0.42 -0.10 1.57 -1.26 -2.55 116.57 114.99 1jjj h LYS 24 Ca 0.39 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.99 1jjj h LYS 24 Cb 0.39 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1jjj h LYS 24 CO -0.16 0.41 -0.20 1.49 -0.57 0.00 0.00 179.45 180.42 1jjj h GLU 25 N 0.20 0.82 -0.86 3.15 4.57 -1.21 -3.20 114.58 118.05 1jjj h GLU 25 Ca 0.07 -0.32 0.16 0.00 -1.18 0.00 0.00 59.36 58.09 1jjj h GLU 25 Cb 0.20 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.69 1jjj h GLU 25 CO -0.00 0.95 0.56 -0.07 -1.18 0.00 0.00 179.01 179.27 1jjj h LEU 26 N 0.72 0.53 -0.94 1.64 3.38 -1.11 -3.48 115.31 116.04 1jjj h LEU 26 Ca 0.10 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jjj h LEU 26 Cb 0.72 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1jjj h LEU 26 CO 0.06 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.45 1jjj n GLY 27 N -1.47 0.79 3.33 0.83 0.00 -1.11 -5.10 105.19 102.46 1jjj n GLY 27 Ca 0.17 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.31 3.13 0.84 1.61 1.01 -0.98 -5.07 120.40 118.63 1jjj s VAL 28 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1jjj s VAL 28 Cb 0.00 -2.36 0.09 0.00 0.00 0.00 0.00 36.38 34.11 1jjj s VAL 28 CO 0.00 0.48 1.09 -0.83 0.00 0.00 0.00 175.10 175.85 1jjj s GLY 29 N 0.88 1.65 0.13 4.51 0.00 -1.26 -4.67 107.32 108.56 1jjj s GLY 29 Ca -0.02 0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.63 1jjj s GLY 29 CO 0.00 0.56 1.69 -2.22 0.00 0.00 0.00 173.10 173.13 1jjj h ILE 30 N -1.36 0.71 -0.56 0.90 5.03 -2.00 0.92 117.51 121.15 1jjj h ILE 30 Ca -0.46 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.28 1jjj h ILE 30 Cb 1.26 0.71 -0.03 0.00 -3.03 0.00 0.00 36.82 35.72 1jjj h ILE 30 CO 0.52 0.00 0.37 0.00 -0.68 0.00 0.00 178.15 178.36 1jjj h ALA 31 N 1.01 0.72 -0.86 1.87 0.00 -2.00 -2.14 119.26 117.87 1jjj h ALA 31 Ca 0.09 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1jjj h ALA 31 Cb 0.23 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1jjj h ALA 31 CO -0.21 0.16 0.54 -0.07 0.00 0.00 0.00 179.25 179.67 1jjj h LEU 32 N 0.76 0.87 -0.03 0.00 3.38 -1.83 -0.70 115.31 117.76 1jjj h LEU 32 Ca 0.21 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1jjj h LEU 32 Cb -0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1jjj h LEU 32 CO -0.04 0.57 0.02 0.03 0.09 0.00 0.00 178.44 179.11 1jjj h ARG 33 N 1.01 0.04 -0.34 1.13 3.08 -0.73 -0.01 114.38 118.56 1jjj h ARG 33 Ca 0.36 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.42 1jjj h ARG 33 Cb 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1jjj h ARG 33 CO -0.15 0.07 0.20 -0.22 -1.07 0.00 0.00 179.97 178.80 1jjj h LYS 34 N 0.00 0.39 0.04 0.04 3.64 -1.36 -1.31 116.57 118.02 1jjj h LYS 34 Ca 0.01 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1jjj h LYS 34 Cb 0.04 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 1jjj h LYS 34 CO -0.00 0.26 -0.31 1.98 -2.27 0.00 0.00 179.45 179.11 1jjj h MET 35 N 0.41 -0.47 -0.89 1.90 4.05 -1.15 -2.89 114.93 115.89 1jjj h MET 35 Ca 0.13 0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.62 1jjj h MET 35 Cb -0.00 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.85 1jjj h MET 35 CO -0.06 -0.31 0.58 0.78 0.23 0.00 0.00 176.91 178.12 1jjj h GLY 36 N -0.49 1.29 1.00 1.39 0.00 -0.97 -2.16 103.07 103.13 1jjj h GLY 36 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1jjj h GLY 36 CO -0.23 0.38 0.36 0.00 0.00 0.00 0.00 176.54 177.05 1jjj h ALA 37 N 1.36 0.69 0.00 3.60 0.00 -1.28 -3.19 119.26 120.45 1jjj h ALA 37 Ca 0.35 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1jjj h ALA 37 Cb -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1jjj h ALA 37 CO -0.11 0.13 -0.17 0.00 0.00 0.00 0.00 179.25 179.10 1jjj h MET 38 N 0.74 0.00 -6.65 0.00 -0.00 -1.50 -3.48 114.93 104.05 1jjj h MET 38 Ca 0.20 0.00 -0.53 0.00 -0.00 0.00 0.00 59.70 59.37 1jjj h MET 38 Cb -0.08 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 31.55 1jjj h MET 38 CO -0.04 0.17 0.69 0.00 -0.00 0.00 0.00 176.91 177.72 1jjj s ALA 39 N -3.38 3.56 -0.86 -3.00 0.00 -0.82 -5.03 121.76 112.23 1jjj s ALA 39 Ca 0.03 1.14 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 1jjj s ALA 39 Cb 0.08 -3.51 0.22 0.00 0.00 0.00 0.00 23.12 19.91 1jjj s ALA 39 CO 0.65 -0.58 0.78 -1.59 0.00 0.00 0.00 175.76 175.02 1jjj s LYS 40 N 0.23 3.52 0.32 0.00 -2.85 -1.26 -5.01 119.74 114.69 1jjj s LYS 40 Ca 0.59 -2.70 -0.27 0.00 -1.00 0.00 0.00 55.97 52.59 1jjj s LYS 40 Cb -0.37 -4.29 -0.09 0.00 -2.06 0.00 0.00 37.83 31.01 1jjj s LYS 40 CO 0.36 -1.26 1.02 -1.25 0.10 0.00 0.00 175.35 174.32 1jjj s PRO 41 N -0.30 4.51 -0.53 1.78 0.04 -1.26 -4.76 135.00 134.48 1jjj s PRO 41 Ca 0.21 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 1jjj s PRO 41 Cb -0.12 -2.90 0.08 0.00 0.04 0.00 0.00 34.50 31.60 1jjj s PRO 41 CO -0.08 0.17 0.62 -0.51 0.04 0.00 0.00 177.00 177.23 1jjj s ASP 42 N -1.33 6.20 -0.70 6.66 1.11 -0.09 -2.72 116.67 125.79 1jjj s ASP 42 Ca 0.49 -1.19 -0.27 0.00 0.18 0.00 0.00 52.55 51.77 1jjj s ASP 42 Cb -0.25 -2.28 0.04 0.00 1.07 0.00 0.00 42.92 41.50 1jjj s ASP 42 CO 0.31 -0.93 1.22 0.00 1.18 0.00 0.00 175.17 176.95 1jjj s ILE 44 N 5.37 4.90 -0.18 0.00 1.01 0.20 -1.36 121.20 131.15 1jjj s ILE 44 Ca 0.35 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 1jjj s ILE 44 Cb -0.09 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1jjj s ILE 44 CO 0.16 -0.84 0.08 -0.63 0.00 0.00 0.00 174.94 173.71 1jjj s ILE 45 N 2.53 4.94 0.04 2.92 1.01 -0.35 -1.28 121.20 131.01 1jjj s ILE 45 Ca 0.13 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.82 1jjj s ILE 45 Cb -0.21 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1jjj s ILE 45 CO 0.10 0.47 -0.07 0.28 0.00 0.00 0.00 174.94 175.72 1jjj s THR 46 N 0.25 0.45 -0.05 2.92 -1.32 -0.71 -1.44 115.64 115.74 1jjj s THR 46 Ca 0.05 -1.03 -0.02 0.00 -1.21 0.00 0.00 61.69 59.48 1jjj s THR 46 Cb -0.12 -0.53 0.04 0.00 -1.51 0.00 0.00 72.50 70.37 1jjj s THR 46 CO -0.00 -0.40 0.09 0.00 -2.21 0.00 0.00 174.62 172.10 1jjj h ASP 48 N 7.41 0.39 0.00 0.00 3.32 -1.72 -3.48 116.42 122.34 1jjj h ASP 48 Ca -0.40 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.22 1jjj h ASP 48 Cb 1.13 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1jjj h ASP 48 CO 0.41 0.73 0.00 0.61 -1.72 0.00 0.00 179.24 179.28 1jjj n GLY 49 N 0.04 -1.37 0.12 2.75 0.00 -1.26 -4.89 105.19 100.58 1jjj n GLY 49 Ca -0.05 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1jjj n GLY 49 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jjj h LYS 50 N 0.00 0.00 -6.23 1.61 3.64 -1.96 -3.47 116.57 110.17 1jjj h LYS 50 Ca 0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 1jjj h LYS 50 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1jjj h LYS 50 CO 0.00 0.58 -0.01 -0.80 -2.27 0.00 0.00 179.45 176.95 1jjj s ASN 51 N -6.46 7.08 -0.03 4.20 0.01 -1.26 0.01 114.94 118.48 1jjj s ASN 51 Ca 0.03 1.28 -0.01 0.00 -0.71 0.00 0.00 52.86 53.45 1jjj s ASN 51 Cb 0.08 -2.38 0.03 0.00 0.41 0.00 0.00 41.25 39.40 1jjj s ASN 51 CO 0.77 0.23 0.04 -0.22 -1.51 0.00 0.00 177.10 176.40 1jjj s LEU 52 N -0.89 0.66 -0.12 0.60 0.20 -0.09 -1.59 118.68 117.45 1jjj s LEU 52 Ca 0.30 0.04 -0.02 0.00 0.69 0.00 0.00 54.13 55.15 1jjj s LEU 52 Cb -0.20 -0.13 -0.03 0.00 -0.43 0.00 0.00 46.19 45.40 1jjj s LEU 52 CO 0.19 -0.18 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.14 1jjj s THR 53 N 1.58 3.86 -0.16 3.68 2.01 -0.10 -1.20 115.64 125.31 1jjj s THR 53 Ca -0.02 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1jjj s THR 53 Cb -0.13 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.76 1jjj s THR 53 CO -0.03 0.54 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.65 1jjj s ILE 54 N -0.11 1.72 -0.38 1.82 1.01 -0.24 -1.75 121.20 123.28 1jjj s ILE 54 Ca 0.02 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 1jjj s ILE 54 Cb -0.13 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.76 1jjj s ILE 54 CO 0.03 0.47 0.22 -0.75 0.00 0.00 0.00 174.94 174.90 1jjj s LYS 55 N 1.42 2.84 -0.73 2.79 2.20 -0.40 -1.30 119.74 126.56 1jjj s LYS 55 Ca 0.05 -1.07 -0.25 0.00 -0.36 0.00 0.00 55.97 54.34 1jjj s LYS 55 Cb -0.13 -3.76 0.05 0.00 -1.51 0.00 0.00 37.83 32.48 1jjj s LYS 55 CO -0.11 -0.71 1.15 0.99 -0.36 0.00 0.00 175.35 176.31 1jjj s THR 56 N 1.57 4.02 -0.16 3.43 2.01 0.18 -0.63 115.64 126.05 1jjj s THR 56 Ca 0.02 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.78 1jjj s THR 56 Cb -0.19 -4.82 -0.03 0.00 0.01 0.00 0.00 72.50 67.46 1jjj s THR 56 CO 0.07 -1.68 0.60 -1.61 -0.69 0.00 0.00 174.62 171.31 1jjj s GLU 57 N 4.90 4.27 -0.10 4.92 0.41 -0.07 -1.56 118.70 131.46 1jjj s GLU 57 Ca 0.30 0.61 -0.07 0.00 -0.41 0.00 0.00 54.97 55.40 1jjj s GLU 57 Cb -0.11 -3.53 0.04 0.00 -1.78 0.00 0.00 34.13 28.74 1jjj s GLU 57 CO 0.11 -0.11 0.26 0.45 -0.49 0.00 0.00 175.26 175.48 1jjj s SER 58 N 1.03 -0.28 0.58 -0.19 0.15 -1.26 -0.92 113.70 112.82 1jjj s SER 58 Ca 0.29 0.54 0.28 0.00 0.70 0.00 0.00 55.95 57.76 1jjj s SER 58 Cb -0.16 0.49 1.61 0.00 -1.71 0.00 0.00 66.02 66.25 1jjj s SER 58 CO 0.12 -0.13 2.08 0.71 1.20 0.00 0.00 173.24 177.22 1jjj h THR 59 N 5.26 0.50 0.15 6.45 1.35 -1.97 -2.77 112.91 121.87 1jjj h THR 59 Ca -0.33 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 1jjj h THR 59 Cb 1.18 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1jjj h THR 59 CO 0.36 0.00 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.48 1jjj h LEU 60 N 0.00 -0.17 -6.62 3.87 3.38 -1.98 -3.47 115.31 110.32 1jjj h LEU 60 Ca 0.10 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1jjj h LEU 60 Cb 0.56 0.04 -0.25 0.00 0.09 0.00 0.00 40.66 41.11 1jjj h LEU 60 CO -0.00 0.40 -0.32 -0.75 0.09 0.00 0.00 178.44 177.86 1jjj s LYS 61 N -3.28 0.45 0.19 1.13 2.36 -1.06 -5.16 119.74 114.37 1jjj s LYS 61 Ca -0.12 0.99 -0.24 0.00 -2.55 0.00 0.00 55.97 54.05 1jjj s LYS 61 Cb 0.00 0.30 -0.08 0.00 -1.05 0.00 0.00 37.83 37.00 1jjj s LYS 61 CO 0.46 -0.44 0.78 0.99 1.55 0.00 0.00 175.35 178.69 1jjj s THR 62 N 2.72 4.40 0.03 3.43 2.01 -1.15 -4.10 115.64 122.99 1jjj s THR 62 Ca 0.07 1.61 0.03 0.00 0.31 0.00 0.00 61.69 63.71 1jjj s THR 62 Cb -0.14 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1jjj s THR 62 CO -0.17 0.42 -0.09 0.28 -0.69 0.00 0.00 174.62 174.37 1jjj s THR 63 N -1.28 0.67 -0.02 -0.82 -1.32 -0.60 -4.98 115.64 107.29 1jjj s THR 63 Ca 0.39 -0.78 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 1jjj s THR 63 Cb -0.21 -0.65 0.01 0.00 -1.51 0.00 0.00 72.50 70.14 1jjj s THR 63 CO 0.25 -0.10 -0.04 -1.58 -2.21 0.00 0.00 174.62 170.93 1jjj s GLN 64 N -0.98 0.59 0.09 7.08 -0.44 -1.26 -0.65 119.66 124.09 1jjj s GLN 64 Ca -0.03 -0.12 -0.06 0.00 -2.50 0.00 0.00 55.36 52.65 1jjj s GLN 64 Cb -0.07 -0.61 -0.01 0.00 -1.64 0.00 0.00 33.01 30.67 1jjj s GLN 64 CO 0.00 -0.00 0.13 -0.59 0.50 0.00 0.00 175.29 175.33 1jjj s PHE 65 N 0.49 0.29 -0.01 1.67 -0.12 -0.42 -5.02 117.98 114.87 1jjj s PHE 65 Ca -0.06 -0.75 0.00 0.00 -0.05 0.00 0.00 56.93 56.07 1jjj s PHE 65 Cb -0.09 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.14 1jjj s PHE 65 CO -0.00 -0.51 -0.00 -1.12 -0.05 0.00 0.00 175.22 173.53 1jjj s SER 66 N -2.89 0.15 0.01 1.98 0.01 -1.26 -1.08 113.70 110.61 1jjj s SER 66 Ca 0.07 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.34 1jjj s SER 66 Cb 0.06 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 1jjj s SER 66 CO -0.09 -0.02 -0.07 0.00 0.41 0.00 0.00 173.24 173.47 1jjj s THR 68 N -0.51 4.93 0.25 0.00 2.01 -1.26 -0.91 115.64 120.15 1jjj s THR 68 Ca -0.01 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 1jjj s THR 68 Cb -0.05 -4.03 -0.10 0.00 0.01 0.00 0.00 72.50 68.33 1jjj s THR 68 CO 0.00 -0.24 1.48 -0.76 -0.69 0.00 0.00 174.62 174.41 1jjj s LEU 69 N 2.60 4.38 0.00 4.42 2.01 0.10 -1.91 118.68 130.28 1jjj s LEU 69 Ca 0.23 2.71 0.00 0.00 0.01 0.00 0.00 54.13 57.08 1jjj s LEU 69 Cb -0.15 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.43 1jjj s LEU 69 CO 0.14 -0.75 0.00 0.61 1.01 0.00 0.00 176.35 177.35 1jjj n GLY 70 N 2.39 3.21 3.98 -3.19 0.00 0.12 -4.98 105.19 106.72 1jjj n GLY 70 Ca 0.08 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 1jjj n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jjj s GLU 71 N 0.00 3.11 -0.16 1.61 8.01 -0.80 -4.79 118.70 125.68 1jjj s GLU 71 Ca 0.00 -0.89 -0.03 0.00 0.01 0.00 0.00 54.97 54.06 1jjj s GLU 71 Cb 0.00 -2.76 -0.02 0.00 -4.31 0.00 0.00 34.13 27.03 1jjj s GLU 71 CO 0.00 -0.01 -0.06 0.21 0.01 0.00 0.00 175.26 175.41 1jjj s LYS 72 N -4.26 3.57 0.26 1.61 2.20 -1.26 -2.64 119.74 119.22 1jjj s LYS 72 Ca 0.46 -0.57 0.04 0.00 -0.36 0.00 0.00 55.97 55.54 1jjj s LYS 72 Cb -0.10 -2.86 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 1jjj s LYS 72 CO 0.33 0.18 -0.00 -0.59 -0.36 0.00 0.00 175.35 174.90 1jjj s PHE 73 N 0.49 1.70 -0.56 4.03 -0.71 -0.70 -4.89 117.98 117.35 1jjj s PHE 73 Ca -0.05 -0.89 -0.28 0.00 -1.04 0.00 0.00 56.93 54.68 1jjj s PHE 73 Cb -0.15 -1.00 0.02 0.00 -1.21 0.00 0.00 43.02 40.68 1jjj s PHE 73 CO 0.03 0.03 1.28 -2.00 -1.34 0.00 0.00 175.22 173.22 1jjj s GLU 74 N -3.84 3.45 -0.58 1.99 -6.30 -1.26 -1.07 118.70 111.09 1jjj s GLU 74 Ca 0.30 0.36 -0.12 0.00 -2.50 0.00 0.00 54.97 53.00 1jjj s GLU 74 Cb 0.06 -4.05 0.15 0.00 0.00 0.00 0.00 34.13 30.28 1jjj s GLU 74 CO 0.10 -1.76 0.50 -2.00 0.02 0.00 0.00 175.26 172.12 1jjj s GLU 75 N 5.15 2.91 -0.50 4.30 2.12 0.27 -4.92 118.70 128.03 1jjj s GLU 75 Ca 0.47 -1.93 -0.29 0.00 0.36 0.00 0.00 54.97 53.58 1jjj s GLU 75 Cb -0.09 -4.16 0.03 0.00 0.26 0.00 0.00 34.13 30.17 1jjj s GLU 75 CO 0.26 -1.27 1.15 0.99 -0.54 0.00 0.00 175.26 175.85 1jjj s THR 76 N 1.13 4.16 1.17 -1.70 2.01 -1.26 -1.38 115.64 119.77 1jjj s THR 76 Ca 0.08 1.14 -0.18 0.00 0.31 0.00 0.00 61.69 63.04 1jjj s THR 76 Cb -0.24 -4.64 0.27 0.00 0.01 0.00 0.00 72.50 67.90 1jjj s THR 76 CO -0.01 -1.09 1.10 0.42 -0.69 0.00 0.00 174.62 174.35 1jjj s THR 77 N 4.57 1.68 0.28 -0.82 -4.23 -0.92 -4.81 115.64 111.40 1jjj s THR 77 Ca 0.47 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.00 1jjj s THR 77 Cb -0.07 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.57 1jjj s THR 77 CO 0.30 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 176.07 1jjj h ALA 78 N -2.46 1.35 -0.62 3.99 0.00 -1.96 -1.84 119.26 117.72 1jjj h ALA 78 Ca -0.47 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jjj h ALA 78 Cb 1.30 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1jjj h ALA 78 CO 0.39 -0.35 0.38 -0.44 0.00 0.00 0.00 179.25 179.23 1jjj h ASP 79 N 0.37 0.75 0.00 0.00 5.19 -1.99 -3.49 116.42 117.25 1jjj h ASP 79 Ca 0.54 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.89 1jjj h ASP 79 Cb 1.01 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1jjj h ASP 79 CO -0.54 0.58 0.00 0.61 -3.12 0.00 0.00 179.24 176.77 1jjj n GLY 80 N -1.17 1.13 3.71 2.75 0.00 -0.69 -5.14 105.19 105.78 1jjj n GLY 80 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.05 4.32 -0.86 1.61 0.52 -1.26 -4.71 118.95 118.52 1jjj s ARG 81 Ca 0.00 2.02 -0.21 0.00 -0.52 0.00 0.00 55.73 57.02 1jjj s ARG 81 Cb 0.00 -3.36 0.09 0.00 0.52 0.00 0.00 34.95 32.20 1jjj s ARG 81 CO 0.00 -0.47 1.16 0.15 0.02 0.00 0.00 175.30 176.16 1jjj s LYS 82 N 1.50 3.43 -0.23 3.54 3.01 -1.26 -2.16 119.74 127.57 1jjj s LYS 82 Ca 0.64 -1.26 -0.11 0.00 -1.01 0.00 0.00 55.97 54.23 1jjj s LYS 82 Cb -0.35 -4.76 -0.05 0.00 -1.01 0.00 0.00 37.83 31.66 1jjj s LYS 82 CO 0.29 -1.90 0.19 0.95 0.51 0.00 0.00 175.35 175.39 1jjj s THR 83 N 3.75 5.34 -0.81 2.17 -4.23 -0.48 -4.83 115.64 116.55 1jjj s THR 83 Ca 0.32 0.25 -0.26 0.00 -1.18 0.00 0.00 61.69 60.82 1jjj s THR 83 Cb -0.07 -3.53 0.03 0.00 1.34 0.00 0.00 72.50 70.27 1jjj s THR 83 CO -0.02 0.34 1.33 -1.10 -0.54 0.00 0.00 174.62 174.62 1jjj s GLN 84 N 1.06 3.28 -0.29 3.99 -1.52 0.71 -0.56 119.66 126.33 1jjj s GLN 84 Ca 0.09 -0.45 -0.09 0.00 -1.95 0.00 0.00 55.36 52.96 1jjj s GLN 84 Cb -0.14 -4.47 -0.01 0.00 -0.22 0.00 0.00 33.01 28.17 1jjj s GLN 84 CO 0.05 -2.17 0.13 0.99 -0.25 0.00 0.00 175.29 174.03 1jjj s THR 85 N 5.58 4.50 -0.27 -0.19 2.01 -0.23 -2.18 115.64 124.87 1jjj s THR 85 Ca 0.38 -0.37 -0.24 0.00 0.31 0.00 0.00 61.69 61.77 1jjj s THR 85 Cb -0.06 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 1jjj s THR 85 CO 0.09 0.14 0.79 0.54 -0.69 0.00 0.00 174.62 175.49 1jjj s VAL 86 N 1.61 4.84 -0.19 3.82 0.11 -0.61 -1.71 120.40 128.26 1jjj s VAL 86 Ca 0.05 1.37 -0.10 0.00 -2.93 0.00 0.00 61.98 60.37 1jjj s VAL 86 Cb -0.17 -4.11 -0.05 0.00 -1.53 0.00 0.00 36.38 30.53 1jjj s VAL 86 CO 0.05 -0.13 0.13 0.00 -3.33 0.00 0.00 175.10 171.82 1jjj s ASN 88 N 0.16 1.39 -0.00 0.00 -0.87 -0.37 -0.70 114.94 114.55 1jjj s ASN 88 Ca 0.09 -0.08 -0.30 0.00 -1.57 0.00 0.00 52.86 50.99 1jjj s ASN 88 Cb -0.11 0.06 -0.03 0.00 -0.02 0.00 0.00 41.25 41.15 1jjj s ASN 88 CO -0.01 -0.29 1.02 0.12 -2.57 0.00 0.00 177.10 175.37 1jjj s PHE 89 N 2.23 3.60 -0.06 2.20 5.36 -1.26 -0.83 117.98 129.22 1jjj s PHE 89 Ca 0.04 1.61 -0.08 0.00 -0.96 0.00 0.00 56.93 57.54 1jjj s PHE 89 Cb -0.14 -3.18 0.02 0.00 -0.34 0.00 0.00 43.02 39.38 1jjj s PHE 89 CO -0.07 -0.27 0.21 -0.08 -1.46 0.00 0.00 175.22 173.55 1jjj s THR 90 N 1.15 0.02 -1.45 0.12 -1.32 -0.38 -5.00 115.64 108.79 1jjj s THR 90 Ca 0.53 -0.18 -0.06 0.00 -1.21 0.00 0.00 61.69 60.77 1jjj s THR 90 Cb -0.22 -0.36 0.01 0.00 -1.51 0.00 0.00 72.50 70.41 1jjj s THR 90 CO 0.27 -0.10 0.80 0.47 -2.21 0.00 0.00 174.62 173.85 1jjj n ASP 91 N 2.52 -6.13 -0.66 8.08 9.92 -1.26 -1.29 116.55 127.74 1jjj n ASP 91 Ca -0.15 -0.37 -0.08 0.00 -0.53 0.00 0.00 54.79 53.66 1jjj n ASP 91 Cb 0.58 -4.87 -0.03 0.00 -0.64 0.00 0.00 41.12 36.15 1jjj n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jjj n GLY 92 N -1.68 0.89 3.15 0.44 0.00 -1.26 -5.00 105.19 101.74 1jjj n GLY 92 Ca -0.07 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.31 -0.67 -0.34 4.61 0.00 -0.41 -2.36 121.76 120.27 1jjj s ALA 93 Ca 0.00 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 1jjj s ALA 93 Cb 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1jjj s ALA 93 CO 0.00 -0.13 0.39 -1.17 0.00 0.00 0.00 175.76 174.85 1jjj s LEU 94 N 0.19 4.44 -0.58 0.00 2.96 -0.76 -1.25 118.68 123.67 1jjj s LEU 94 Ca -0.00 -0.21 -0.22 0.00 -0.22 0.00 0.00 54.13 53.48 1jjj s LEU 94 Cb -0.02 -2.38 0.06 0.00 0.50 0.00 0.00 46.19 44.35 1jjj s LEU 94 CO 0.00 -0.37 0.86 -0.69 -1.32 0.00 0.00 176.35 174.84 1jjj s VAL 95 N 2.08 4.51 -0.69 1.68 1.01 -0.01 -0.98 120.40 128.00 1jjj s VAL 95 Ca 0.13 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 1jjj s VAL 95 Cb -0.16 -4.53 0.16 0.00 0.00 0.00 0.00 36.38 31.84 1jjj s VAL 95 CO 0.12 -1.16 0.68 -1.58 0.00 0.00 0.00 175.10 173.16 1jjj s GLN 96 N 3.60 3.27 -0.58 2.72 0.74 -0.41 -1.24 119.66 127.77 1jjj s GLN 96 Ca 0.23 -1.93 -0.18 0.00 0.05 0.00 0.00 55.36 53.53 1jjj s GLN 96 Cb -0.16 -4.39 0.12 0.00 1.10 0.00 0.00 33.01 29.68 1jjj s GLN 96 CO 0.14 -1.39 0.63 -1.58 -0.55 0.00 0.00 175.29 172.54 1jjj s HIS 97 N 1.33 3.10 -0.22 1.67 2.46 -0.50 -1.26 115.29 121.87 1jjj s HIS 97 Ca 0.12 -1.11 -0.10 0.00 0.47 0.00 0.00 55.06 54.45 1jjj s HIS 97 Cb -0.20 -3.94 -0.05 0.00 -0.13 0.00 0.00 32.58 28.27 1jjj s HIS 97 CO -0.02 -1.19 0.14 1.14 -2.47 0.00 0.00 174.74 172.34 1jjj s GLN 98 N 2.24 4.09 -0.06 2.88 -2.07 -0.34 -1.58 119.66 124.84 1jjj s GLN 98 Ca 0.09 -0.26 0.02 0.00 -1.82 0.00 0.00 55.36 53.38 1jjj s GLN 98 Cb -0.26 -3.47 0.01 0.00 -1.09 0.00 0.00 33.01 28.20 1jjj s GLN 98 CO 0.05 0.15 -0.11 -1.21 -1.32 0.00 0.00 175.29 172.84 1jjj s GLU 99 N 0.79 1.49 -0.20 9.60 2.02 -0.93 -1.01 118.70 130.46 1jjj s GLU 99 Ca 0.07 -0.37 -0.07 0.00 0.02 0.00 0.00 54.97 54.62 1jjj s GLU 99 Cb -0.13 -1.27 0.09 0.00 0.10 0.00 0.00 34.13 32.92 1jjj s GLU 99 CO 0.02 0.04 0.43 1.67 0.02 0.00 0.00 175.26 177.44 1jjj s TRP 100 N 0.59 -0.82 -1.37 1.61 -2.14 0.17 -0.21 118.94 116.78 1jjj s TRP 100 Ca -0.12 1.56 -0.13 0.00 2.66 0.00 0.00 56.10 60.07 1jjj s TRP 100 Cb -0.14 0.33 0.01 0.00 -3.10 0.00 0.00 33.47 30.57 1jjj s TRP 100 CO 0.03 -0.48 0.39 -3.47 -2.66 0.00 0.00 176.95 170.75 1jjj n ASP 101 N 5.29 -1.59 0.00 -2.66 2.03 -1.26 -1.28 116.55 117.08 1jjj n ASP 101 Ca -0.10 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.01 1jjj n ASP 101 Cb 0.50 -2.12 0.00 0.00 -0.72 0.00 0.00 41.12 38.78 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 -2.21 2.30 3.82 0.27 0.00 -1.26 -5.05 105.19 103.07 1jjj n GLY 102 Ca -0.23 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 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 4.10 0.19 1.61 1.02 -0.41 -5.11 119.74 121.13 1jjj s LYS 103 Ca 0.00 0.63 0.07 0.00 0.02 0.00 0.00 55.97 56.68 1jjj s LYS 103 Cb 0.00 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 1jjj s LYS 103 CO 0.00 0.58 -0.13 -1.83 -0.92 0.00 0.00 175.35 173.05 1jjj s GLU 104 N -1.42 1.25 0.00 1.68 -1.05 -1.26 -0.65 118.70 117.25 1jjj s GLU 104 Ca 0.32 -1.54 0.02 0.00 -0.15 0.00 0.00 54.97 53.62 1jjj s GLU 104 Cb -0.18 -0.99 -0.01 0.00 -0.44 0.00 0.00 34.13 32.52 1jjj s GLU 104 CO 0.19 0.16 -0.06 0.45 0.95 0.00 0.00 175.26 176.94 1jjj s SER 105 N -3.23 0.72 -0.36 0.83 0.15 -0.18 -4.61 113.70 107.02 1jjj s SER 105 Ca 0.20 -0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.59 1jjj s SER 105 Cb -0.00 -0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.28 1jjj s SER 105 CO 0.05 0.03 0.17 0.42 1.20 0.00 0.00 173.24 175.11 1jjj s THR 106 N -0.32 4.27 -0.66 6.45 -4.23 -0.01 -1.20 115.64 119.95 1jjj s THR 106 Ca 0.00 -0.97 -0.12 0.00 -1.18 0.00 0.00 61.69 59.42 1jjj s THR 106 Cb -0.03 -3.40 0.17 0.00 1.34 0.00 0.00 72.50 70.57 1jjj s THR 106 CO -0.00 -0.22 0.57 -0.63 -0.54 0.00 0.00 174.62 173.80 1jjj s ILE 107 N 1.49 4.97 -0.48 2.99 -1.09 -0.39 -2.40 121.20 126.29 1jjj s ILE 107 Ca 0.01 -2.17 -0.17 0.00 -2.23 0.00 0.00 60.65 56.09 1jjj s ILE 107 Cb -0.19 -4.15 0.07 0.00 -1.58 0.00 0.00 42.46 36.60 1jjj s ILE 107 CO 0.05 -0.92 0.48 -0.89 -1.23 0.00 0.00 174.94 172.43 1jjj s THR 108 N 0.72 5.10 -0.80 2.92 2.01 -0.50 -1.29 115.64 123.80 1jjj s THR 108 Ca 0.12 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 1jjj s THR 108 Cb -0.20 -4.19 0.21 0.00 0.01 0.00 0.00 72.50 68.33 1jjj s THR 108 CO -0.04 -0.66 0.71 -0.13 -0.69 0.00 0.00 174.62 173.81 1jjj s ARG 109 N 2.01 3.39 -0.10 4.92 0.52 -0.15 -1.15 118.95 128.39 1jjj s ARG 109 Ca 0.08 -2.55 -0.03 0.00 -0.52 0.00 0.00 55.73 52.71 1jjj s ARG 109 Cb -0.22 -4.26 -0.03 0.00 0.52 0.00 0.00 34.95 30.95 1jjj s ARG 109 CO 0.09 -1.26 0.02 -1.59 0.02 0.00 0.00 175.30 172.58 1jjj s LYS 110 N -0.02 3.19 -0.19 3.54 -2.85 -0.31 -1.83 119.74 121.28 1jjj s LYS 110 Ca 0.19 -0.37 -0.21 0.00 -1.00 0.00 0.00 55.97 54.57 1jjj s LYS 110 Cb -0.12 -2.90 -0.02 0.00 -2.06 0.00 0.00 37.83 32.73 1jjj s LYS 110 CO -0.08 0.64 0.66 -1.17 0.10 0.00 0.00 175.35 175.50 1jjj s LEU 111 N -0.69 4.16 -0.18 2.77 1.98 -1.00 -0.80 118.68 124.93 1jjj s LEU 111 Ca 0.11 0.90 -0.07 0.00 -2.89 0.00 0.00 54.13 52.18 1jjj s LEU 111 Cb -0.12 -2.95 0.08 0.00 0.66 0.00 0.00 46.19 43.87 1jjj s LEU 111 CO 0.02 -0.28 0.38 -0.75 -1.89 0.00 0.00 176.35 173.84 1jjj s LYS 112 N 1.87 0.30 -1.78 1.98 2.20 -0.44 -4.93 119.74 118.94 1jjj s LYS 112 Ca 0.30 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 1jjj s LYS 112 Cb -0.16 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 1jjj s LYS 112 CO 0.11 -0.24 0.00 -3.47 -0.36 0.00 0.00 175.35 171.39 1jjj n ASP 113 N 5.18 -5.64 -2.82 1.43 2.03 -1.26 -0.94 116.55 114.53 1jjj n ASP 113 Ca -0.11 0.07 -0.21 0.00 0.52 0.00 0.00 54.79 55.07 1jjj n ASP 113 Cb 0.50 -4.71 0.01 0.00 -0.72 0.00 0.00 41.12 36.21 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 114 N -0.93 -0.51 2.94 0.27 0.00 -1.26 -5.03 105.19 100.66 1jjj n GLY 114 Ca -0.23 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.48 0.99 -0.56 1.61 -0.14 -0.11 -3.80 119.74 112.25 1jjj s LYS 115 Ca 0.19 -0.20 -0.24 0.00 -1.36 0.00 0.00 55.97 54.37 1jjj s LYS 115 Cb -0.09 -0.93 0.04 0.00 -1.68 0.00 0.00 37.83 35.17 1jjj s LYS 115 CO 0.24 -0.02 0.94 -1.17 -0.76 0.00 0.00 175.35 174.58 1jjj s LEU 116 N 0.70 4.13 -0.51 3.17 2.96 0.27 -1.33 118.68 128.08 1jjj s LEU 116 Ca -0.11 -0.42 -0.21 0.00 -0.22 0.00 0.00 54.13 53.17 1jjj s LEU 116 Cb -0.13 -2.78 0.05 0.00 0.50 0.00 0.00 46.19 43.83 1jjj s LEU 116 CO 0.01 -1.25 0.71 -0.69 -1.32 0.00 0.00 176.35 173.80 1jjj s VAL 117 N 3.97 4.75 -0.56 1.68 1.01 0.02 -1.64 120.40 129.62 1jjj s VAL 117 Ca 0.29 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 1jjj s VAL 117 Cb -0.13 -4.35 0.14 0.00 0.00 0.00 0.00 36.38 32.04 1jjj s VAL 117 CO 0.18 -0.85 0.51 -0.69 0.00 0.00 0.00 175.10 174.25 1jjj s VAL 118 N 2.98 5.17 -0.84 2.92 1.01 0.08 -1.16 120.40 130.56 1jjj s VAL 118 Ca 0.20 -1.59 -0.21 0.00 0.00 0.00 0.00 61.98 60.38 1jjj s VAL 118 Cb -0.17 -4.31 0.10 0.00 0.00 0.00 0.00 36.38 32.00 1jjj s VAL 118 CO 0.15 -0.87 1.11 -1.61 0.00 0.00 0.00 175.10 173.88 1jjj s GLU 119 N 1.48 3.41 -0.56 2.72 2.02 -0.30 -0.97 118.70 126.50 1jjj s GLU 119 Ca 0.04 -1.31 -0.11 0.00 0.02 0.00 0.00 54.97 53.62 1jjj s GLU 119 Cb -0.28 -4.71 0.14 0.00 0.10 0.00 0.00 34.13 29.38 1jjj s GLU 119 CO 0.02 -1.86 0.46 0.00 0.02 0.00 0.00 175.26 173.90 1jjj s VAL 121 N 1.07 3.89 -0.17 0.00 0.11 -1.01 -0.97 120.40 123.33 1jjj s VAL 121 Ca 0.08 -0.81 -0.16 0.00 -2.93 0.00 0.00 61.98 58.16 1jjj s VAL 121 Cb -0.24 -2.76 -0.05 0.00 -1.53 0.00 0.00 36.38 31.80 1jjj s VAL 121 CO -0.02 0.29 -0.31 0.80 -3.33 0.00 0.00 175.10 172.54 1jjj n MET 122 N 1.17 0.51 0.00 1.54 1.56 0.05 -0.83 117.12 121.12 1jjj n MET 122 Ca -0.14 0.28 0.00 0.00 -0.27 0.00 0.00 57.70 57.57 1jjj n MET 122 Cb 0.52 -1.48 0.00 0.00 2.15 0.00 0.00 33.22 34.41 1jjj n MET 122 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1jjj n ASN 123 N -4.47 0.00 0.08 6.12 0.23 -1.26 -4.60 115.26 111.35 1jjj n ASN 123 Ca -0.12 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.06 1jjj n ASN 123 Cb 0.45 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.57 1jjj n ASN 123 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1jjj n ASN 124 N 0.00 0.63 -4.78 0.53 3.02 -1.26 -4.98 115.26 108.43 1jjj n ASN 124 Ca 0.00 0.48 -0.37 0.00 -0.03 0.00 0.00 54.58 54.67 1jjj n ASN 124 Cb 0.00 -0.60 -0.07 0.00 -0.61 0.00 0.00 39.78 38.51 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jjj s VAL 125 N -3.09 5.30 0.04 2.41 1.01 -1.26 -5.07 120.40 119.75 1jjj s VAL 125 Ca 0.11 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.63 1jjj s VAL 125 Cb 0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1jjj s VAL 125 CO 0.60 0.47 -0.11 0.42 0.00 0.00 0.00 175.10 176.49 1jjj s THR 126 N -0.13 0.84 -0.06 3.92 -4.23 -1.26 -0.77 115.64 113.96 1jjj s THR 126 Ca 0.17 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1jjj s THR 126 Cb -0.13 -0.80 0.03 0.00 1.34 0.00 0.00 72.50 72.93 1jjj s THR 126 CO 0.05 -0.13 0.02 0.00 -0.54 0.00 0.00 174.62 174.02 1jjj s THR 128 N 1.91 5.06 -0.34 0.00 2.01 -0.01 -1.50 115.64 122.78 1jjj s THR 128 Ca 0.03 -1.14 -0.07 0.00 0.31 0.00 0.00 61.69 60.82 1jjj s THR 128 Cb -0.12 -4.34 0.03 0.00 0.01 0.00 0.00 72.50 68.08 1jjj s THR 128 CO -0.04 -0.88 0.11 -0.13 -0.69 0.00 0.00 174.62 172.99 1jjj s ARG 129 N 2.05 2.69 -0.21 4.92 0.52 -0.14 -1.74 118.95 127.04 1jjj s ARG 129 Ca 0.07 -1.13 -0.16 0.00 -0.52 0.00 0.00 55.73 53.99 1jjj s ARG 129 Cb -0.26 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 1jjj s ARG 129 CO 0.06 -0.64 0.40 0.42 0.02 0.00 0.00 175.30 175.55 1jjj s ILE 130 N 1.43 5.19 -0.16 1.52 -1.09 -0.13 -0.74 121.20 127.22 1jjj s ILE 130 Ca -0.01 0.70 0.01 0.00 -2.23 0.00 0.00 60.65 59.12 1jjj s ILE 130 Cb -0.19 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1jjj s ILE 130 CO 0.03 0.24 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.50 1jjj s TYR 131 N 1.40 2.46 0.24 3.97 1.51 -0.65 -1.28 117.35 125.00 1jjj s TYR 131 Ca 0.19 -1.41 -0.09 0.00 -1.01 0.00 0.00 57.07 54.74 1jjj s TYR 131 Cb -0.15 -1.75 -0.07 0.00 -0.11 0.00 0.00 41.96 39.88 1jjj s TYR 131 CO 0.08 -0.73 0.56 -1.83 -1.11 0.00 0.00 175.55 172.52 1jjj s GLU 132 N 1.35 3.79 -0.01 -0.62 -1.05 -0.46 -0.57 118.70 121.14 1jjj s GLU 132 Ca 0.04 0.27 -0.30 0.00 -0.15 0.00 0.00 54.97 54.83 1jjj s GLU 132 Cb -0.13 -2.64 -0.03 0.00 -0.44 0.00 0.00 34.13 30.89 1jjj s GLU 132 CO -0.11 0.30 1.05 0.21 0.95 0.00 0.00 175.26 177.65 1jjj s LYS 133 N -2.91 4.49 -0.57 -4.83 2.20 -1.25 -0.82 119.74 116.05 1jjj s LYS 133 Ca 0.47 1.51 -0.24 0.00 -0.36 0.00 0.00 55.97 57.35 1jjj s LYS 133 Cb -0.11 -3.46 0.05 0.00 -1.51 0.00 0.00 37.83 32.79 1jjj s LYS 133 CO 0.22 -0.18 0.95 0.08 -0.36 0.00 0.00 175.35 176.06 1jjj s VAL 134 N 1.33 4.37 0.00 4.02 1.01 0.33 -4.96 120.40 126.50 1jjj s VAL 134 Ca 0.53 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1jjj s VAL 134 Cb -0.22 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.58 1jjj s VAL 134 CO 0.26 -1.19 0.00 -1.84 0.00 0.00 0.00 175.10 172.33