#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 -0.29 2.28 3.14 -1.26 -4.28 118.33 117.91 1jjj n VAL 4 Ca 0.00 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.45 1jjj n VAL 4 Cb 0.00 0.00 0.22 0.00 -1.06 0.00 0.00 33.84 33.00 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 0.60 0.00 1.45 4.15 -1.98 -2.24 115.11 117.09 1jjj h GLN 5 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1jjj h GLN 5 Cb 0.00 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.56 1jjj h GLN 5 CO 0.00 0.40 0.00 1.96 -1.93 0.00 0.00 178.83 179.26 1jjj h GLN 6 N 0.62 0.00 0.00 1.69 7.50 -2.03 -2.11 115.11 120.78 1jjj h GLN 6 Ca 0.46 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.61 1jjj h GLN 6 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.18 1jjj h GLN 6 CO -0.36 0.00 0.00 1.28 -1.50 0.00 0.00 178.83 178.25 1jjj n LEU 7 N -2.89 0.00 -4.80 1.46 4.77 -0.84 -4.94 117.00 109.75 1jjj n LEU 7 Ca 0.00 0.48 -0.38 0.00 -0.03 0.00 0.00 56.01 56.08 1jjj n LEU 7 Cb 0.24 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 1jjj n LEU 7 CO 0.24 -0.20 0.35 -1.61 -1.33 0.00 0.00 177.39 174.83 1jjj s GLU 8 N -2.97 4.31 0.00 3.23 2.02 -0.79 -4.75 118.70 119.74 1jjj s GLU 8 Ca 0.09 0.87 0.00 0.00 0.02 0.00 0.00 54.97 55.95 1jjj s GLU 8 Cb 0.11 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1jjj s GLU 8 CO 0.30 0.59 0.00 0.41 0.02 0.00 0.00 175.26 176.58 1jjj n GLY 9 N 1.54 0.15 3.64 -1.39 0.00 -0.37 -4.97 105.19 103.80 1jjj n GLY 9 Ca -0.08 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.41 4.17 -0.23 1.61 3.52 -1.26 -0.88 118.95 124.47 1jjj s ARG 10 Ca 0.00 0.70 0.01 0.00 -0.13 0.00 0.00 55.73 56.31 1jjj s ARG 10 Cb 0.00 -3.63 0.06 0.00 -1.56 0.00 0.00 34.95 29.82 1jjj s ARG 10 CO 0.00 -0.39 -0.07 -1.58 -0.81 0.00 0.00 175.30 172.45 1jjj s TRP 11 N 2.42 2.50 -0.14 5.12 0.52 -0.07 -0.24 118.94 129.04 1jjj s TRP 11 Ca 0.30 -1.80 -0.10 0.00 0.02 0.00 0.00 56.10 54.52 1jjj s TRP 11 Cb -0.16 -1.63 -0.05 0.00 -1.15 0.00 0.00 33.47 30.49 1jjj s TRP 11 CO 0.09 -0.78 0.19 0.50 0.02 0.00 0.00 176.95 176.97 1jjj s ARG 12 N 1.36 3.90 0.21 4.98 3.52 -0.40 -0.39 118.95 132.12 1jjj s ARG 12 Ca -0.06 -0.06 -0.31 0.00 -0.13 0.00 0.00 55.73 55.18 1jjj s ARG 12 Cb -0.19 -3.32 -0.10 0.00 -1.56 0.00 0.00 34.95 29.79 1jjj s ARG 12 CO -0.06 0.50 1.46 -1.17 -0.81 0.00 0.00 175.30 175.22 1jjj s LEU 13 N -0.27 4.38 0.14 -0.88 2.96 -1.05 -0.79 118.68 123.17 1jjj s LEU 13 Ca 0.14 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.64 1jjj s LEU 13 Cb -0.12 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1jjj s LEU 13 CO 0.03 -0.71 0.00 1.33 -1.32 0.00 0.00 176.35 175.68 1jjj n VAL 14 N 3.00 0.92 -3.33 1.68 0.24 -0.07 -4.83 118.33 115.93 1jjj n VAL 14 Ca 0.09 0.30 -0.33 0.00 -2.04 0.00 0.00 64.34 62.36 1jjj n VAL 14 Cb 0.40 -1.32 -0.06 0.00 -1.47 0.00 0.00 33.84 31.39 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 -5.73 6.73 -0.40 -1.34 2.15 -1.19 -4.95 116.67 111.93 1jjj s ASP 15 Ca 0.00 1.06 0.10 0.00 0.43 0.00 0.00 52.55 54.14 1jjj s ASP 15 Cb 0.00 -2.28 0.35 0.00 -0.30 0.00 0.00 42.92 40.69 1jjj s ASP 15 CO 0.00 -0.05 0.94 -1.20 -0.17 0.00 0.00 175.17 174.70 1jjj n SER 16 N 0.12 -0.45 -4.68 -0.34 7.64 -1.25 -2.37 113.62 112.28 1jjj n SER 16 Ca -0.01 -3.18 -0.42 0.00 1.01 0.00 0.00 58.87 56.27 1jjj n SER 16 Cb 0.52 0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 64.13 1jjj n SER 16 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1jjj s LYS 17 N -1.33 4.28 0.00 1.43 -2.85 -1.11 -2.65 119.74 117.51 1jjj s LYS 17 Ca 0.31 1.82 0.00 0.00 -1.00 0.00 0.00 55.97 57.10 1jjj s LYS 17 Cb 0.34 -3.65 0.00 0.00 -2.06 0.00 0.00 37.83 32.46 1jjj s LYS 17 CO -0.06 -0.59 0.00 0.41 0.10 0.00 0.00 175.35 175.21 1jjj n GLY 18 N 3.60 0.78 0.19 0.59 0.00 -1.26 -1.26 105.19 107.82 1jjj n GLY 18 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 0.82 -0.20 1.61 3.57 -1.80 -2.45 116.94 118.49 1jjj h PHE 19 Ca 0.00 -0.32 0.04 0.00 3.53 0.00 0.00 57.97 61.22 1jjj h PHE 19 Cb 0.00 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1jjj h PHE 19 CO 0.00 1.09 -0.02 0.22 -2.23 0.00 0.00 178.31 177.38 1jjj h ASP 20 N 0.31 -0.12 -0.77 0.41 3.58 -1.96 -1.16 116.42 116.71 1jjj h ASP 20 Ca -0.01 0.05 0.16 0.00 0.42 0.00 0.00 57.03 57.66 1jjj h ASP 20 Cb 1.09 0.09 -0.11 0.00 1.72 0.00 0.00 39.33 42.12 1jjj h ASP 20 CO 0.10 -0.03 0.24 -0.33 -2.88 0.00 0.00 179.24 176.34 1jjj h GLU 21 N 0.04 0.32 0.21 0.28 5.08 -2.00 -1.90 114.58 116.62 1jjj h GLU 21 Ca 0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1jjj h GLU 21 Cb 0.13 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1jjj h GLU 21 CO -0.17 0.21 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.01 1jjj h TYR 22 N 0.33 -0.30 0.00 4.33 3.20 -1.07 -2.80 116.97 120.67 1jjj h TYR 22 Ca 0.44 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.25 1jjj h TYR 22 Cb 0.74 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1jjj h TYR 22 CO -0.22 -0.18 -0.22 0.00 -1.64 0.00 0.00 178.16 175.89 1jjj h MET 23 N -0.31 0.00 -0.80 1.82 -0.00 -1.05 -0.09 114.93 114.51 1jjj h MET 23 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.63 1jjj h MET 23 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.81 1jjj h MET 23 CO 0.04 0.22 0.32 1.57 -0.00 0.00 0.00 176.91 179.06 1jjj h LYS 24 N 0.00 1.19 -0.21 -0.10 5.09 -1.44 -3.17 116.57 117.93 1jjj h LYS 24 Ca -0.00 -0.21 -0.21 0.00 0.09 0.00 0.00 60.65 60.31 1jjj h LYS 24 Cb 0.69 -0.19 0.01 0.00 0.10 0.00 0.00 32.23 32.83 1jjj h LYS 24 CO 0.03 0.96 -0.69 1.49 -2.09 0.00 0.00 179.45 179.14 1jjj h GLU 25 N 1.16 0.84 -0.91 0.07 4.57 -1.09 -3.30 114.58 115.91 1jjj h GLU 25 Ca 0.27 -0.62 0.19 0.00 -1.18 0.00 0.00 59.36 58.01 1jjj h GLU 25 Cb 0.21 0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 28.80 1jjj h GLU 25 CO -0.02 1.24 0.47 -0.07 -1.18 0.00 0.00 179.01 179.45 1jjj h LEU 26 N 0.60 0.53 0.00 1.64 3.38 -1.19 -3.48 115.31 116.79 1jjj h LEU 26 Ca -0.03 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jjj h LEU 26 Cb 1.32 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1jjj h LEU 26 CO 0.15 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.44 1jjj n GLY 27 N -1.33 0.84 3.05 0.83 0.00 -1.25 -5.12 105.19 102.22 1jjj n GLY 27 Ca 0.21 -0.77 -0.24 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 -1.91 1.13 0.65 1.61 1.01 -1.20 -4.95 120.40 116.75 1jjj s VAL 28 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1jjj s VAL 28 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1jjj s VAL 28 CO 0.00 0.34 1.10 -0.83 0.00 0.00 0.00 175.10 175.71 1jjj s GLY 29 N 0.31 2.11 0.23 4.51 0.00 -1.26 -4.76 107.32 108.46 1jjj s GLY 29 Ca -0.07 0.49 -0.06 0.00 0.00 0.00 0.00 44.72 45.07 1jjj s GLY 29 CO 0.02 0.83 1.77 0.16 0.00 0.00 0.00 173.10 175.88 1jjj h ILE 30 N 0.05 0.82 -0.44 0.90 -0.00 -1.99 -0.09 117.51 116.75 1jjj h ILE 30 Ca -0.47 -0.20 0.02 0.00 -0.00 0.00 0.00 64.86 64.22 1jjj h ILE 30 Cb 1.24 0.19 -0.03 0.00 -0.00 0.00 0.00 36.82 38.22 1jjj h ILE 30 CO 0.55 0.10 0.25 0.00 -0.00 0.00 0.00 178.15 179.06 1jjj h ALA 31 N 1.45 0.56 -0.74 0.16 0.00 -1.99 -1.23 119.26 117.47 1jjj h ALA 31 Ca 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1jjj h ALA 31 Cb 0.41 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1jjj h ALA 31 CO -0.29 -0.07 0.42 -0.07 0.00 0.00 0.00 179.25 179.24 1jjj h LEU 32 N 0.51 0.91 -0.26 0.00 3.38 -1.79 -0.85 115.31 117.21 1jjj h LEU 32 Ca 0.18 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1jjj h LEU 32 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1jjj h LEU 32 CO -0.09 0.73 0.16 0.03 0.09 0.00 0.00 178.44 179.36 1jjj h ARG 33 N 1.01 0.33 -0.31 1.13 3.08 -0.95 0.86 114.38 119.53 1jjj h ARG 33 Ca 0.26 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1jjj h ARG 33 Cb 0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1jjj h ARG 33 CO -0.04 0.22 0.20 -0.22 -1.07 0.00 0.00 179.97 179.05 1jjj h LYS 34 N 0.34 0.42 -0.05 0.04 3.64 -1.23 -1.67 116.57 118.05 1jjj h LYS 34 Ca 0.10 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1jjj h LYS 34 Cb -0.02 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.65 1jjj h LYS 34 CO -0.04 0.29 -0.32 1.98 -2.27 0.00 0.00 179.45 179.10 1jjj h MET 35 N 0.42 -0.42 -0.93 1.90 4.05 -1.14 -3.04 114.93 115.77 1jjj h MET 35 Ca 0.11 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.66 1jjj h MET 35 Cb -0.03 0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 30.80 1jjj h MET 35 CO -0.02 -0.28 0.60 0.78 0.23 0.00 0.00 176.91 178.21 1jjj h GLY 36 N -0.44 1.38 1.00 1.39 0.00 -0.80 -0.39 103.07 105.22 1jjj h GLY 36 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1jjj h GLY 36 CO -0.30 0.21 0.27 0.00 0.00 0.00 0.00 176.54 176.72 1jjj h ALA 37 N 1.54 0.52 0.00 3.60 0.00 -1.31 -3.25 119.26 120.35 1jjj h ALA 37 Ca 0.43 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 1jjj h ALA 37 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1jjj h ALA 37 CO -0.19 -0.02 -0.63 0.00 0.00 0.00 0.00 179.25 178.40 1jjj h MET 38 N 0.55 0.00 -6.39 0.00 -0.00 -1.42 -3.45 114.93 104.22 1jjj h MET 38 Ca 0.15 0.00 -0.57 0.00 -0.00 0.00 0.00 59.70 59.28 1jjj h MET 38 Cb -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.50 1jjj h MET 38 CO -0.03 0.63 1.17 0.00 -0.00 0.00 0.00 176.91 178.68 1jjj s ALA 39 N -3.12 2.91 -0.68 -3.00 0.00 -0.17 -5.00 121.76 112.70 1jjj s ALA 39 Ca 0.02 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.77 1jjj s ALA 39 Cb 0.10 -4.00 0.18 0.00 0.00 0.00 0.00 23.12 19.39 1jjj s ALA 39 CO 0.76 -2.62 0.61 -1.59 0.00 0.00 0.00 175.76 172.91 1jjj s LYS 40 N 5.38 3.18 0.51 0.00 -2.85 -1.26 -4.91 119.74 119.78 1jjj s LYS 40 Ca 0.68 -2.19 -0.18 0.00 -1.00 0.00 0.00 55.97 53.28 1jjj s LYS 40 Cb -0.17 -4.25 -0.08 0.00 -2.06 0.00 0.00 37.83 31.27 1jjj s LYS 40 CO 0.32 -1.28 0.99 -1.25 0.10 0.00 0.00 175.35 174.23 1jjj s PRO 41 N 0.66 3.90 -0.55 1.78 0.04 -1.26 -4.61 135.00 134.96 1jjj s PRO 41 Ca 0.12 1.05 -0.23 0.00 0.04 0.00 0.00 61.00 61.98 1jjj s PRO 41 Cb -0.19 -2.13 0.05 0.00 0.04 0.00 0.00 34.50 32.27 1jjj s PRO 41 CO -0.04 -0.31 0.89 -0.51 0.04 0.00 0.00 177.00 177.07 1jjj s ASP 42 N -2.78 6.31 -0.42 6.66 1.11 -0.37 -2.52 116.67 124.65 1jjj s ASP 42 Ca 0.61 -0.49 -0.18 0.00 0.18 0.00 0.00 52.55 52.66 1jjj s ASP 42 Cb -0.11 -2.41 0.02 0.00 1.07 0.00 0.00 42.92 41.49 1jjj s ASP 42 CO 0.28 -1.19 0.50 0.00 1.18 0.00 0.00 175.17 175.94 1jjj s ILE 44 N 2.36 4.61 -0.19 0.00 1.09 0.10 -0.90 121.20 128.27 1jjj s ILE 44 Ca 0.16 0.07 -0.15 0.00 -1.10 0.00 0.00 60.65 59.63 1jjj s ILE 44 Cb -0.16 -4.40 -0.04 0.00 -1.06 0.00 0.00 42.46 36.80 1jjj s ILE 44 CO 0.15 -0.91 0.33 -0.63 -0.10 0.00 0.00 174.94 173.79 1jjj s ILE 45 N 3.35 5.26 -0.16 2.92 1.01 -0.06 -1.92 121.20 131.59 1jjj s ILE 45 Ca 0.25 0.59 -0.08 0.00 0.00 0.00 0.00 60.65 61.41 1jjj s ILE 45 Cb -0.14 -3.67 0.06 0.00 0.01 0.00 0.00 42.46 38.72 1jjj s ILE 45 CO 0.18 0.31 0.38 -0.89 0.00 0.00 0.00 174.94 174.92 1jjj s THR 46 N 0.98 -0.09 -0.22 2.92 2.01 -0.66 -1.23 115.64 119.35 1jjj s THR 46 Ca 0.17 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.30 1jjj s THR 46 Cb -0.14 -0.58 0.04 0.00 0.01 0.00 0.00 72.50 71.84 1jjj s THR 46 CO 0.06 0.05 -0.14 0.00 -0.69 0.00 0.00 174.62 173.90 1jjj n ASP 48 N 4.54 4.51 0.00 0.00 2.03 -0.14 -4.85 116.55 122.64 1jjj n ASP 48 Ca -0.17 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.26 1jjj n ASP 48 Cb 0.46 -1.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 1jjj n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 49 N 4.89 0.89 0.00 0.27 0.00 -1.26 -1.56 105.19 108.43 1jjj n GLY 49 Ca 0.50 0.56 0.08 0.00 0.00 0.00 0.00 46.02 47.16 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 0.00 0.97 -2.94 1.61 4.76 -1.26 -4.98 118.16 116.31 1jjj n LYS 50 Ca 0.00 -0.10 -0.43 0.00 -2.87 0.00 0.00 58.31 54.91 1jjj n LYS 50 Cb 0.00 -1.33 -0.05 0.00 -1.84 0.00 0.00 35.03 31.81 1jjj n LYS 50 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1jjj s ASN 51 N -3.37 6.31 -0.31 4.39 0.01 -0.60 -0.84 114.94 120.54 1jjj s ASN 51 Ca -0.02 -0.49 -0.10 0.00 -0.71 0.00 0.00 52.86 51.54 1jjj s ASN 51 Cb 0.11 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 1jjj s ASN 51 CO 0.66 -1.10 0.16 -0.22 -1.51 0.00 0.00 177.10 175.09 1jjj s LEU 52 N 3.51 4.14 -0.17 0.60 0.20 0.15 -0.97 118.68 126.14 1jjj s LEU 52 Ca 0.26 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.57 1jjj s LEU 52 Cb -0.14 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.56 1jjj s LEU 52 CO 0.17 -0.19 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.14 1jjj s THR 53 N 1.64 4.00 -0.13 3.68 2.01 0.00 -1.34 115.64 125.50 1jjj s THR 53 Ca 0.05 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1jjj s THR 53 Cb -0.17 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.59 1jjj s THR 53 CO 0.07 0.47 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.70 1jjj s ILE 54 N 0.54 1.55 -0.31 1.82 1.01 -0.30 -1.65 121.20 123.85 1jjj s ILE 54 Ca -0.02 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1jjj s ILE 54 Cb -0.14 -1.44 0.03 0.00 0.01 0.00 0.00 42.46 40.92 1jjj s ILE 54 CO 0.02 0.45 0.08 -0.75 0.00 0.00 0.00 174.94 174.74 1jjj s LYS 55 N 1.28 2.78 -0.67 2.79 2.20 -0.81 -1.15 119.74 126.15 1jjj s LYS 55 Ca 0.00 -1.07 -0.23 0.00 -0.36 0.00 0.00 55.97 54.32 1jjj s LYS 55 Cb -0.14 -3.37 0.07 0.00 -1.51 0.00 0.00 37.83 32.88 1jjj s LYS 55 CO -0.07 -0.57 0.98 0.99 -0.36 0.00 0.00 175.35 176.32 1jjj s THR 56 N 1.42 4.32 -0.31 3.43 2.01 0.46 -0.73 115.64 126.24 1jjj s THR 56 Ca -0.00 -0.39 -0.24 0.00 0.31 0.00 0.00 61.69 61.36 1jjj s THR 56 Cb -0.19 -4.70 0.00 0.00 0.01 0.00 0.00 72.50 67.63 1jjj s THR 56 CO 0.02 -1.48 0.81 -1.61 -0.69 0.00 0.00 174.62 171.67 1jjj s GLU 57 N 4.06 3.96 -0.10 4.92 2.02 0.02 -1.61 118.70 131.96 1jjj s GLU 57 Ca 0.23 0.60 -0.07 0.00 0.02 0.00 0.00 54.97 55.75 1jjj s GLU 57 Cb -0.16 -3.73 0.04 0.00 0.10 0.00 0.00 34.13 30.37 1jjj s GLU 57 CO 0.09 -0.71 0.26 0.45 0.02 0.00 0.00 175.26 175.37 1jjj s SER 58 N 1.64 -0.28 0.51 -0.19 0.15 -1.26 -1.24 113.70 113.03 1jjj s SER 58 Ca 0.33 0.54 0.16 0.00 0.70 0.00 0.00 55.95 57.68 1jjj s SER 58 Cb -0.14 0.48 1.25 0.00 -1.71 0.00 0.00 66.02 65.90 1jjj s SER 58 CO 0.13 -0.13 2.12 0.71 1.20 0.00 0.00 173.24 177.27 1jjj h THR 59 N 5.29 0.98 0.13 6.45 1.35 -1.97 -2.60 112.91 122.53 1jjj h THR 59 Ca -0.33 -0.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 1jjj h THR 59 Cb 1.18 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1jjj h THR 59 CO 0.36 0.01 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.50 1jjj h LEU 60 N 0.05 -0.15 -6.28 3.87 3.38 -1.98 -3.45 115.31 110.75 1jjj h LEU 60 Ca 0.05 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.45 1jjj h LEU 60 Cb 0.12 0.04 -0.28 0.00 0.09 0.00 0.00 40.66 40.63 1jjj h LEU 60 CO -0.00 0.38 -0.52 -0.75 0.09 0.00 0.00 178.44 177.64 1jjj s LYS 61 N -3.75 0.43 0.38 1.13 2.36 -1.21 -5.16 119.74 113.92 1jjj s LYS 61 Ca -0.14 0.18 -0.24 0.00 -2.55 0.00 0.00 55.97 53.21 1jjj s LYS 61 Cb 0.01 -0.24 -0.10 0.00 -1.05 0.00 0.00 37.83 36.45 1jjj s LYS 61 CO 0.55 -1.04 0.99 0.99 1.55 0.00 0.00 175.35 178.39 1jjj s THR 62 N 2.58 4.02 -0.17 3.43 2.01 -0.98 -4.39 115.64 122.13 1jjj s THR 62 Ca 0.10 1.54 -0.12 0.00 0.31 0.00 0.00 61.69 63.51 1jjj s THR 62 Cb -0.12 -3.79 0.05 0.00 0.01 0.00 0.00 72.50 68.65 1jjj s THR 62 CO -0.30 -0.00 0.43 -0.89 -0.69 0.00 0.00 174.62 173.18 1jjj s THR 63 N -1.73 -0.01 -0.01 -0.82 2.01 -0.63 -4.97 115.64 109.47 1jjj s THR 63 Ca 0.56 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.64 1jjj s THR 63 Cb -0.18 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 1jjj s THR 63 CO 0.24 0.02 -0.11 -1.58 -0.69 0.00 0.00 174.62 172.50 1jjj s GLN 64 N 0.94 0.94 0.03 4.92 0.74 -1.26 -0.40 119.66 125.57 1jjj s GLN 64 Ca -0.06 -0.38 -0.03 0.00 0.05 0.00 0.00 55.36 54.94 1jjj s GLN 64 Cb -0.06 -0.90 -0.02 0.00 1.10 0.00 0.00 33.01 33.14 1jjj s GLN 64 CO -0.08 0.21 0.04 -0.59 -0.55 0.00 0.00 175.29 174.31 1jjj s PHE 65 N -0.13 0.24 -0.19 1.67 -0.12 -0.30 -5.02 117.98 114.12 1jjj s PHE 65 Ca 0.02 -0.52 -0.03 0.00 -0.05 0.00 0.00 56.93 56.35 1jjj s PHE 65 Cb -0.06 -0.18 0.06 0.00 -0.63 0.00 0.00 43.02 42.22 1jjj s PHE 65 CO -0.00 -0.28 0.05 -1.54 -0.05 0.00 0.00 175.22 173.40 1jjj s SER 66 N -1.82 2.84 0.07 1.98 1.04 -1.26 -1.15 113.70 115.40 1jjj s SER 66 Ca -0.10 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 55.55 1jjj s SER 66 Cb -0.05 -0.52 -0.03 0.00 0.10 0.00 0.00 66.02 65.52 1jjj s SER 66 CO -0.03 -0.32 -0.08 0.00 0.98 0.00 0.00 173.24 173.79 1jjj s THR 68 N -2.28 3.34 -0.11 0.00 2.01 -1.26 -0.67 115.64 116.67 1jjj s THR 68 Ca 0.01 1.35 -0.29 0.00 0.31 0.00 0.00 61.69 63.06 1jjj s THR 68 Cb -0.04 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1jjj s THR 68 CO -0.01 0.32 1.58 -0.22 -0.69 0.00 0.00 174.62 175.60 1jjj s LEU 69 N -1.53 4.21 0.00 4.42 2.96 -0.02 -1.52 118.68 127.21 1jjj s LEU 69 Ca 0.45 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.38 1jjj s LEU 69 Cb -0.33 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.82 1jjj s LEU 69 CO 0.43 -0.97 0.00 0.61 -1.32 0.00 0.00 176.35 175.11 1jjj n GLY 70 N 4.15 3.10 3.86 7.98 0.00 0.69 -5.02 105.19 119.95 1jjj n GLY 70 Ca 0.17 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 3.86 0.12 1.61 2.12 -0.57 -4.75 118.70 121.08 1jjj s GLU 71 Ca 0.00 0.73 0.03 0.00 0.36 0.00 0.00 54.97 56.09 1jjj s GLU 71 Cb 0.00 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 32.10 1jjj s GLU 71 CO 0.00 -0.18 0.17 -1.59 -0.54 0.00 0.00 175.26 173.12 1jjj s LYS 72 N -4.02 3.12 0.10 4.30 -2.85 -1.26 -2.37 119.74 116.76 1jjj s LYS 72 Ca 0.55 -0.68 -0.00 0.00 -1.00 0.00 0.00 55.97 54.84 1jjj s LYS 72 Cb -0.10 -2.81 -0.04 0.00 -2.06 0.00 0.00 37.83 32.81 1jjj s LYS 72 CO 0.32 0.54 -0.00 -0.59 0.10 0.00 0.00 175.35 175.72 1jjj s PHE 73 N -1.60 0.79 -0.64 1.78 -0.71 -0.97 -4.91 117.98 111.72 1jjj s PHE 73 Ca 0.32 -1.10 -0.27 0.00 -1.04 0.00 0.00 56.93 54.85 1jjj s PHE 73 Cb -0.11 -0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 41.21 1jjj s PHE 73 CO 0.25 -0.37 1.68 -2.00 -1.34 0.00 0.00 175.22 173.44 1jjj s GLU 74 N -3.95 2.83 -0.66 1.99 2.56 -1.26 -1.48 118.70 118.73 1jjj s GLU 74 Ca 0.16 0.40 -0.19 0.00 0.00 0.00 0.00 54.97 55.33 1jjj s GLU 74 Cb 0.07 -4.31 0.11 0.00 2.00 0.00 0.00 34.13 31.99 1jjj s GLU 74 CO -0.03 -2.51 0.82 -2.00 -0.56 0.00 0.00 175.26 170.98 1jjj s GLU 75 N 6.57 3.16 -0.86 4.30 2.12 -0.02 -4.97 118.70 129.00 1jjj s GLU 75 Ca 0.58 -1.32 -0.25 0.00 0.36 0.00 0.00 54.97 54.34 1jjj s GLU 75 Cb -0.12 -4.34 0.04 0.00 0.26 0.00 0.00 34.13 29.97 1jjj s GLU 75 CO 0.20 -1.62 1.36 0.99 -0.54 0.00 0.00 175.26 175.65 1jjj s THR 76 N 2.88 3.80 1.19 -1.70 2.01 -1.26 -0.92 115.64 121.64 1jjj s THR 76 Ca 0.17 -0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.94 1jjj s THR 76 Cb -0.19 -4.96 0.30 0.00 0.01 0.00 0.00 72.50 67.65 1jjj s THR 76 CO 0.04 -1.87 1.02 0.42 -0.69 0.00 0.00 174.62 173.54 1jjj s THR 77 N 5.50 1.94 0.29 -0.82 -4.23 -0.35 -4.80 115.64 113.18 1jjj s THR 77 Ca 0.40 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.95 1jjj s THR 77 Cb -0.05 -2.09 0.28 0.00 1.34 0.00 0.00 72.50 71.99 1jjj s THR 77 CO 0.04 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 175.88 1jjj h ALA 78 N -2.70 1.54 0.05 3.99 0.00 -1.91 -2.28 119.26 117.94 1jjj h ALA 78 Ca -0.61 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1jjj h ALA 78 Cb 1.34 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1jjj h ALA 78 CO 0.50 -0.11 -0.47 -0.44 0.00 0.00 0.00 179.25 178.73 1jjj h ASP 79 N 0.67 -1.42 0.00 0.00 3.32 -1.95 -3.47 116.42 113.57 1jjj h ASP 79 Ca 0.55 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.75 1jjj h ASP 79 Cb 0.87 0.53 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1jjj h ASP 79 CO -0.40 -0.47 0.00 0.61 -1.72 0.00 0.00 179.24 177.26 1jjj n GLY 80 N -1.41 1.25 3.75 2.75 0.00 -0.86 -5.02 105.19 105.65 1jjj n GLY 80 Ca -0.07 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 4.12 -0.07 1.61 0.52 -1.26 -4.59 118.95 119.28 1jjj s ARG 81 Ca 0.00 2.58 -0.24 0.00 -0.52 0.00 0.00 55.73 57.55 1jjj s ARG 81 Cb 0.00 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1jjj s ARG 81 CO 0.00 -0.64 0.74 0.15 0.02 0.00 0.00 175.30 175.57 1jjj s LYS 82 N -0.44 4.43 -0.03 3.54 1.02 -1.26 -1.21 119.74 125.79 1jjj s LYS 82 Ca 0.64 0.94 0.03 0.00 0.02 0.00 0.00 55.97 57.60 1jjj s LYS 82 Cb -0.48 -3.47 -0.00 0.00 -0.52 0.00 0.00 37.83 33.36 1jjj s LYS 82 CO 0.47 0.00 -0.12 0.95 -0.92 0.00 0.00 175.35 175.74 1jjj s THR 83 N 0.99 0.99 -0.77 2.17 -4.23 -0.09 -4.79 115.64 109.89 1jjj s THR 83 Ca 0.39 -0.49 -0.22 0.00 -1.18 0.00 0.00 61.69 60.19 1jjj s THR 83 Cb -0.18 -0.85 0.09 0.00 1.34 0.00 0.00 72.50 72.89 1jjj s THR 83 CO 0.18 0.29 1.06 -1.10 -0.54 0.00 0.00 174.62 174.52 1jjj s GLN 84 N 0.02 3.30 -0.31 3.99 -1.52 0.05 -0.84 119.66 124.35 1jjj s GLN 84 Ca -0.01 -1.12 -0.10 0.00 -1.95 0.00 0.00 55.36 52.18 1jjj s GLN 84 Cb -0.08 -4.53 -0.01 0.00 -0.22 0.00 0.00 33.01 28.17 1jjj s GLN 84 CO 0.01 -1.85 0.17 0.99 -0.25 0.00 0.00 175.29 174.36 1jjj s THR 85 N 3.77 4.71 -0.16 -0.19 2.01 -0.55 -2.21 115.64 123.03 1jjj s THR 85 Ca 0.28 -0.39 -0.24 0.00 0.31 0.00 0.00 61.69 61.65 1jjj s THR 85 Cb -0.12 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 1jjj s THR 85 CO 0.03 0.06 0.78 0.54 -0.69 0.00 0.00 174.62 175.34 1jjj s VAL 86 N 1.63 4.93 -0.40 3.82 0.11 -0.85 -2.29 120.40 127.34 1jjj s VAL 86 Ca 0.05 1.54 -0.19 0.00 -2.93 0.00 0.00 61.98 60.45 1jjj s VAL 86 Cb -0.17 -4.09 0.01 0.00 -1.53 0.00 0.00 36.38 30.60 1jjj s VAL 86 CO 0.07 0.07 0.53 0.00 -3.33 0.00 0.00 175.10 172.44 1jjj s ASN 88 N 1.86 0.66 -0.15 0.00 2.20 -0.58 -0.22 114.94 118.71 1jjj s ASN 88 Ca 0.18 0.05 -0.15 0.00 -0.94 0.00 0.00 52.86 52.01 1jjj s ASN 88 Cb -0.15 -0.12 -0.05 0.00 -2.00 0.00 0.00 41.25 38.93 1jjj s ASN 88 CO 0.15 -0.19 0.33 0.12 -2.94 0.00 0.00 177.10 174.58 1jjj s PHE 89 N 1.64 3.48 -0.11 1.54 5.36 -1.26 -0.63 117.98 128.00 1jjj s PHE 89 Ca -0.02 0.67 -0.08 0.00 -0.96 0.00 0.00 56.93 56.54 1jjj s PHE 89 Cb -0.13 -2.38 0.04 0.00 -0.34 0.00 0.00 43.02 40.21 1jjj s PHE 89 CO -0.03 0.23 0.28 -0.08 -1.46 0.00 0.00 175.22 174.16 1jjj s THR 90 N 0.46 -0.01 -1.41 0.12 -1.32 -0.26 -5.01 115.64 108.21 1jjj s THR 90 Ca 0.19 0.05 -0.03 0.00 -1.21 0.00 0.00 61.69 60.69 1jjj s THR 90 Cb -0.13 -0.41 0.00 0.00 -1.51 0.00 0.00 72.50 70.45 1jjj s THR 90 CO 0.05 0.02 0.38 0.47 -2.21 0.00 0.00 174.62 173.34 1jjj n ASP 91 N 3.41 -5.48 0.00 8.08 8.00 -1.26 -0.84 116.55 128.46 1jjj n ASP 91 Ca -0.17 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.14 1jjj n ASP 91 Cb 0.56 -4.38 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 1jjj n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 92 N -1.31 2.50 3.46 0.44 0.00 -1.26 -5.07 105.19 103.96 1jjj n GLY 92 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.28 2.95 -0.49 4.61 0.00 -0.02 -3.69 121.76 122.83 1jjj s ALA 93 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 50.85 1jjj s ALA 93 Cb 0.00 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.60 1jjj s ALA 93 CO 0.00 0.13 0.88 -1.17 0.00 0.00 0.00 175.76 175.60 1jjj s LEU 94 N 0.51 4.13 -0.40 0.00 2.96 -0.18 -1.10 118.68 124.61 1jjj s LEU 94 Ca -0.04 -0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 53.54 1jjj s LEU 94 Cb -0.14 -2.99 0.01 0.00 0.50 0.00 0.00 46.19 43.57 1jjj s LEU 94 CO 0.03 -1.07 0.62 -0.69 -1.32 0.00 0.00 176.35 173.92 1jjj s VAL 95 N 3.66 4.87 -0.62 1.68 1.01 0.20 -0.94 120.40 130.27 1jjj s VAL 95 Ca 0.32 0.30 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 1jjj s VAL 95 Cb -0.12 -4.13 0.12 0.00 0.00 0.00 0.00 36.38 32.25 1jjj s VAL 95 CO 0.23 -0.45 0.70 -1.10 0.00 0.00 0.00 175.10 174.47 1jjj s GLN 96 N 2.73 3.11 -0.65 2.72 1.11 -0.46 -1.53 119.66 126.68 1jjj s GLN 96 Ca 0.23 -1.49 -0.21 0.00 0.01 0.00 0.00 55.36 53.90 1jjj s GLN 96 Cb -0.14 -4.32 0.09 0.00 -1.01 0.00 0.00 33.01 27.63 1jjj s GLN 96 CO 0.17 -1.50 0.86 -1.58 0.01 0.00 0.00 175.29 173.24 1jjj s HIS 97 N 2.33 2.84 0.01 0.91 5.65 -0.54 -1.07 115.29 125.42 1jjj s HIS 97 Ca 0.12 -0.78 -0.30 0.00 0.25 0.00 0.00 55.06 54.34 1jjj s HIS 97 Cb -0.23 -4.17 -0.06 0.00 -1.18 0.00 0.00 32.58 26.94 1jjj s HIS 97 CO 0.04 -1.49 1.43 -0.65 -0.65 0.00 0.00 174.74 173.42 1jjj s GLN 98 N 3.37 4.27 -0.17 2.88 -0.21 -0.00 -2.01 119.66 127.79 1jjj s GLN 98 Ca 0.18 2.01 0.01 0.00 0.02 0.00 0.00 55.36 57.57 1jjj s GLN 98 Cb -0.19 -3.57 0.03 0.00 1.00 0.00 0.00 33.01 30.28 1jjj s GLN 98 CO 0.07 -0.59 -0.12 -1.21 -2.12 0.00 0.00 175.29 171.32 1jjj s GLU 99 N 2.38 2.17 -0.17 2.91 2.02 -0.94 -1.80 118.70 125.26 1jjj s GLU 99 Ca 0.65 -0.71 -0.06 0.00 0.02 0.00 0.00 54.97 54.87 1jjj s GLU 99 Cb -0.32 -2.27 0.08 0.00 0.10 0.00 0.00 34.13 31.72 1jjj s GLU 99 CO 0.27 -0.34 0.36 1.67 0.02 0.00 0.00 175.26 177.25 1jjj s TRP 100 N 1.44 -0.65 -1.50 1.61 -2.14 -0.16 -0.77 118.94 116.77 1jjj s TRP 100 Ca 0.02 1.31 -0.09 0.00 2.66 0.00 0.00 56.10 60.00 1jjj s TRP 100 Cb -0.15 0.18 0.07 0.00 -3.10 0.00 0.00 33.47 30.47 1jjj s TRP 100 CO -0.09 -0.43 0.75 -3.47 -2.66 0.00 0.00 176.95 171.05 1jjj n ASP 101 N 5.32 -2.71 0.00 -2.66 2.03 -1.26 -0.96 116.55 116.31 1jjj n ASP 101 Ca -0.08 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.33 1jjj n ASP 101 Cb 0.50 -3.44 0.00 0.00 -0.72 0.00 0.00 41.12 37.45 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 -1.67 2.51 3.80 0.27 0.00 -1.26 -5.04 105.19 103.80 1jjj n GLY 102 Ca -0.10 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 4.36 0.04 1.61 1.02 -0.13 -5.11 119.74 121.53 1jjj s LYS 103 Ca 0.00 1.02 -0.01 0.00 0.02 0.00 0.00 55.97 57.00 1jjj s LYS 103 Cb 0.00 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1jjj s LYS 103 CO 0.00 0.34 -0.01 -1.83 -0.92 0.00 0.00 175.35 172.92 1jjj s GLU 104 N -2.06 0.53 -0.07 1.68 -1.05 -1.26 -0.98 118.70 115.48 1jjj s GLU 104 Ca 0.46 -1.01 -0.09 0.00 -0.15 0.00 0.00 54.97 54.19 1jjj s GLU 104 Cb -0.17 0.19 0.02 0.00 -0.44 0.00 0.00 34.13 33.73 1jjj s GLU 104 CO 0.22 -0.10 0.24 0.45 0.95 0.00 0.00 175.26 177.02 1jjj s SER 105 N -2.45 -0.22 -0.35 0.83 0.15 -0.75 -4.64 113.70 106.27 1jjj s SER 105 Ca -0.00 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.90 1jjj s SER 105 Cb 0.02 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1jjj s SER 105 CO -0.07 -0.16 0.22 0.42 1.20 0.00 0.00 173.24 174.85 1jjj s THR 106 N -0.21 4.96 -0.78 6.45 -4.23 -0.36 -0.82 115.64 120.64 1jjj s THR 106 Ca -0.03 -0.47 -0.21 0.00 -1.18 0.00 0.00 61.69 59.79 1jjj s THR 106 Cb -0.03 -3.62 0.09 0.00 1.34 0.00 0.00 72.50 70.28 1jjj s THR 106 CO 0.01 -0.09 1.05 -0.63 -0.54 0.00 0.00 174.62 174.43 1jjj s ILE 107 N 1.65 4.45 -0.79 2.99 -1.09 -0.23 -1.77 121.20 126.41 1jjj s ILE 107 Ca 0.05 -0.84 -0.16 0.00 -2.23 0.00 0.00 60.65 57.46 1jjj s ILE 107 Cb -0.18 -4.74 0.17 0.00 -1.58 0.00 0.00 42.46 36.13 1jjj s ILE 107 CO 0.08 -1.50 0.82 -0.89 -1.23 0.00 0.00 174.94 172.23 1jjj s THR 108 N 3.59 5.25 -0.70 2.92 2.01 -0.48 -1.36 115.64 126.87 1jjj s THR 108 Ca 0.27 -1.96 -0.21 0.00 0.31 0.00 0.00 61.69 60.11 1jjj s THR 108 Cb -0.11 -4.54 0.10 0.00 0.01 0.00 0.00 72.50 67.95 1jjj s THR 108 CO 0.02 -1.15 0.92 -0.13 -0.69 0.00 0.00 174.62 173.59 1jjj s ARG 109 N 1.26 3.20 -0.05 4.92 0.52 -0.11 -1.95 118.95 126.75 1jjj s ARG 109 Ca 0.19 -1.21 0.06 0.00 -0.52 0.00 0.00 55.73 54.26 1jjj s ARG 109 Cb -0.13 -4.39 -0.02 0.00 0.52 0.00 0.00 34.95 30.94 1jjj s ARG 109 CO -0.06 -1.72 -0.24 -1.59 0.02 0.00 0.00 175.30 171.71 1jjj s LYS 110 N 3.29 2.41 -0.16 3.54 -2.85 -0.16 -1.01 119.74 124.81 1jjj s LYS 110 Ca 0.21 -0.89 -0.29 0.00 -1.00 0.00 0.00 55.97 54.00 1jjj s LYS 110 Cb -0.16 -2.15 -0.01 0.00 -2.06 0.00 0.00 37.83 33.44 1jjj s LYS 110 CO 0.04 0.47 1.15 -1.17 0.10 0.00 0.00 175.35 175.94 1jjj s LEU 111 N -0.37 4.18 0.00 2.77 1.98 -1.24 -0.84 118.68 125.16 1jjj s LEU 111 Ca 0.03 1.59 0.00 0.00 -2.89 0.00 0.00 54.13 52.85 1jjj s LEU 111 Cb -0.12 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.18 1jjj s LEU 111 CO 0.02 -0.66 0.00 1.17 -1.89 0.00 0.00 176.35 174.99 1jjj n LYS 112 N 6.07 3.47 -2.03 1.98 3.00 -0.10 -4.92 118.16 125.62 1jjj n LYS 112 Ca 0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.02 1jjj n LYS 112 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.49 1jjj n LYS 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1jjj n ASP 113 N 0.00 6.16 0.00 3.14 8.00 -1.26 -4.24 116.55 128.35 1jjj n ASP 113 Ca 0.00 -3.02 0.00 0.00 0.71 0.00 0.00 54.79 52.48 1jjj n ASP 113 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.62 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 114 N 2.77 2.86 3.17 0.44 0.00 -1.26 -5.08 105.19 108.09 1jjj n GLY 114 Ca 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.84 1.01 -0.24 1.61 1.02 -1.26 -4.74 119.74 116.31 1jjj s LYS 115 Ca 0.00 -1.50 -0.23 0.00 0.02 0.00 0.00 55.97 54.27 1jjj s LYS 115 Cb 0.00 0.22 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 1jjj s LYS 115 CO 0.00 -0.29 0.73 -1.17 -0.92 0.00 0.00 175.35 173.71 1jjj s LEU 116 N -3.09 4.09 -0.34 3.17 2.96 -0.74 -0.93 118.68 123.80 1jjj s LEU 116 Ca 0.28 0.90 -0.23 0.00 -0.22 0.00 0.00 54.13 54.86 1jjj s LEU 116 Cb 0.07 -3.03 0.01 0.00 0.50 0.00 0.00 46.19 43.74 1jjj s LEU 116 CO 0.05 -0.42 0.78 -0.69 -1.32 0.00 0.00 176.35 174.74 1jjj s VAL 117 N 2.56 4.76 -0.61 1.68 1.01 -0.02 -1.30 120.40 128.47 1jjj s VAL 117 Ca 0.31 1.00 -0.06 0.00 0.00 0.00 0.00 61.98 63.23 1jjj s VAL 117 Cb -0.15 -4.18 0.16 0.00 0.00 0.00 0.00 36.38 32.20 1jjj s VAL 117 CO 0.08 -0.35 0.46 -0.69 0.00 0.00 0.00 175.10 174.60 1jjj s VAL 118 N 3.03 4.11 -0.83 2.92 1.01 -0.16 -0.99 120.40 129.50 1jjj s VAL 118 Ca 0.32 -2.57 -0.23 0.00 0.00 0.00 0.00 61.98 59.50 1jjj s VAL 118 Cb -0.14 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.65 1jjj s VAL 118 CO 0.15 -0.87 1.19 -1.61 0.00 0.00 0.00 175.10 173.96 1jjj s GLU 119 N 0.35 3.37 -0.65 2.72 2.02 -0.82 -0.93 118.70 124.76 1jjj s GLU 119 Ca 0.14 -1.00 -0.22 0.00 0.02 0.00 0.00 54.97 53.91 1jjj s GLU 119 Cb -0.20 -4.67 0.08 0.00 0.10 0.00 0.00 34.13 29.44 1jjj s GLU 119 CO -0.04 -1.98 0.92 0.00 0.02 0.00 0.00 175.26 174.18 1jjj s VAL 121 N 3.75 3.13 -0.04 0.00 0.11 -0.73 -1.46 120.40 125.16 1jjj s VAL 121 Ca 0.20 -0.61 -0.11 0.00 -2.93 0.00 0.00 61.98 58.53 1jjj s VAL 121 Cb -0.18 -2.35 -0.06 0.00 -1.53 0.00 0.00 36.38 32.25 1jjj s VAL 121 CO 0.09 0.49 0.50 -0.03 -3.33 0.00 0.00 175.10 172.82 1jjj h MET 122 N 7.24 -0.40 0.00 1.54 4.05 -1.61 -0.95 114.93 124.80 1jjj h MET 122 Ca -0.33 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.12 1jjj h MET 122 Cb 1.19 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1jjj h MET 122 CO 0.58 -0.26 0.00 0.27 0.23 0.00 0.00 176.91 177.73 1jjj n ASN 123 N -4.84 0.00 0.08 1.39 0.23 -1.26 -4.47 115.26 106.39 1jjj n ASN 123 Ca -0.05 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.88 1jjj n ASN 123 Cb 0.16 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.74 1jjj n ASN 123 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1jjj h ASN 124 N 0.00 0.24 -3.28 0.53 -1.24 -2.01 -3.46 115.58 106.36 1jjj h ASN 124 Ca 0.00 -0.25 -0.56 0.00 0.71 0.00 0.00 56.30 56.19 1jjj h ASN 124 Cb 0.00 -0.08 -0.08 0.00 0.73 0.00 0.00 38.32 38.89 1jjj h ASN 124 CO 0.00 1.19 0.89 -0.69 -1.29 0.00 0.00 177.43 177.53 1jjj s VAL 125 N -2.71 4.12 -0.26 2.57 1.01 -1.26 -5.01 120.40 118.85 1jjj s VAL 125 Ca -0.02 0.83 -0.10 0.00 0.00 0.00 0.00 61.98 62.70 1jjj s VAL 125 Cb 0.08 -4.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1jjj s VAL 125 CO 0.85 -1.25 0.14 0.42 0.00 0.00 0.00 175.10 175.27 1jjj s THR 126 N 4.69 4.98 -0.31 3.92 -4.23 -1.26 -1.79 115.64 121.63 1jjj s THR 126 Ca 0.41 0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.86 1jjj s THR 126 Cb -0.08 -3.34 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 1jjj s THR 126 CO 0.25 0.31 0.20 0.00 -0.54 0.00 0.00 174.62 174.84 1jjj s THR 128 N 1.72 4.60 -0.39 0.00 2.01 -0.39 -1.59 115.64 121.60 1jjj s THR 128 Ca 0.06 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.05 1jjj s THR 128 Cb -0.17 -4.41 0.06 0.00 0.01 0.00 0.00 72.50 67.99 1jjj s THR 128 CO 0.10 -0.92 0.22 -0.13 -0.69 0.00 0.00 174.62 173.20 1jjj s ARG 129 N 3.38 2.65 -0.08 4.92 0.52 -0.10 -2.76 118.95 127.48 1jjj s ARG 129 Ca 0.25 -1.33 -0.18 0.00 -0.52 0.00 0.00 55.73 53.96 1jjj s ARG 129 Cb -0.14 -3.71 -0.05 0.00 0.52 0.00 0.00 34.95 31.57 1jjj s ARG 129 CO 0.18 -0.85 0.50 0.42 0.02 0.00 0.00 175.30 175.57 1jjj s ILE 130 N 1.45 5.10 -0.08 1.52 -1.09 -1.00 -0.98 121.20 126.12 1jjj s ILE 130 Ca 0.02 1.01 0.04 0.00 -2.23 0.00 0.00 60.65 59.50 1jjj s ILE 130 Cb -0.21 -3.83 -0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1jjj s ILE 130 CO 0.03 0.38 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.58 1jjj s TYR 131 N 0.22 2.40 0.08 3.97 1.51 -0.42 -0.90 117.35 124.22 1jjj s TYR 131 Ca 0.27 -0.89 -0.28 0.00 -1.01 0.00 0.00 57.07 55.15 1jjj s TYR 131 Cb -0.16 -1.60 -0.05 0.00 -0.11 0.00 0.00 41.96 40.03 1jjj s TYR 131 CO 0.12 -0.34 0.90 -1.83 -1.11 0.00 0.00 175.55 173.30 1jjj s GLU 132 N 0.20 4.63 -0.24 -0.62 -1.05 0.03 -1.80 118.70 119.85 1jjj s GLU 132 Ca -0.14 1.33 -0.29 0.00 -0.15 0.00 0.00 54.97 55.73 1jjj s GLU 132 Cb -0.16 -3.38 -0.01 0.00 -0.44 0.00 0.00 34.13 30.14 1jjj s GLU 132 CO 0.07 0.21 1.30 0.21 0.95 0.00 0.00 175.26 177.99 1jjj s LYS 133 N 0.08 4.04 -0.49 -4.83 2.20 -1.26 -1.27 119.74 118.22 1jjj s LYS 133 Ca 0.45 1.44 -0.18 0.00 -0.36 0.00 0.00 55.97 57.31 1jjj s LYS 133 Cb -0.22 -3.84 0.05 0.00 -1.51 0.00 0.00 37.83 32.32 1jjj s LYS 133 CO 0.28 -0.95 0.57 0.08 -0.36 0.00 0.00 175.35 174.96 1jjj s VAL 134 N 4.04 4.95 -1.27 4.02 1.01 0.66 -5.01 120.40 128.81 1jjj s VAL 134 Ca 0.56 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 62.11 1jjj s VAL 134 Cb -0.19 -4.24 0.08 0.00 0.00 0.00 0.00 36.38 32.03 1jjj s VAL 134 CO 0.20 -0.71 0.82 -0.62 0.00 0.00 0.00 175.10 174.78