#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 1.26 -0.65 2.28 3.04 -1.96 -2.73 116.25 117.49 1jjj h VAL 4 Ca 0.00 -0.93 -0.04 0.00 -1.01 0.00 0.00 66.70 64.72 1jjj h VAL 4 Cb 0.00 0.50 -0.03 0.00 -2.01 0.00 0.00 31.29 29.76 1jjj h VAL 4 CO 0.00 0.36 0.25 -0.61 -1.01 0.00 0.00 177.57 176.56 1jjj h GLN 5 N 1.06 0.98 -0.10 4.17 -0.00 -1.96 -3.17 115.11 116.09 1jjj h GLN 5 Ca 0.23 -0.19 0.03 0.00 -0.00 0.00 0.00 58.65 58.72 1jjj h GLN 5 Cb 0.34 -0.16 -0.00 0.00 0.00 0.00 0.00 27.48 27.66 1jjj h GLN 5 CO -0.00 0.83 0.16 1.96 0.00 0.00 0.00 178.83 181.78 1jjj h GLN 6 N 0.92 0.00 0.00 1.69 4.20 -1.87 -2.22 115.11 117.84 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 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1jjj h GLN 6 CO -0.02 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.42 1jjj n LEU 7 N -3.53 0.00 -4.69 1.46 4.77 -1.09 -4.88 117.00 109.03 1jjj n LEU 7 Ca -0.00 0.32 -0.31 0.00 -0.03 0.00 0.00 56.01 55.99 1jjj n LEU 7 Cb 0.25 -0.32 0.15 0.00 -2.33 0.00 0.00 43.42 41.17 1jjj n LEU 7 CO 0.24 -0.25 0.67 -1.83 -1.33 0.00 0.00 177.39 174.89 1jjj s GLU 8 N -2.65 1.28 0.00 3.23 4.04 -0.84 -4.67 118.70 119.09 1jjj s GLU 8 Ca 0.06 1.33 0.00 0.00 0.04 0.00 0.00 54.97 56.40 1jjj s GLU 8 Cb 0.04 -1.77 0.00 0.00 0.02 0.00 0.00 34.13 32.42 1jjj s GLU 8 CO 0.10 -2.38 0.00 0.41 -1.84 0.00 0.00 175.26 171.56 1jjj n GLY 9 N -0.29 2.80 3.51 -3.83 0.00 -0.30 -4.87 105.19 102.20 1jjj n GLY 9 Ca 0.10 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.07 3.32 -0.57 1.61 3.52 -1.26 -1.44 118.95 122.06 1jjj s ARG 10 Ca 0.00 -0.83 -0.18 0.00 -0.13 0.00 0.00 55.73 54.59 1jjj s ARG 10 Cb 0.00 -4.57 0.11 0.00 -1.56 0.00 0.00 34.95 28.94 1jjj s ARG 10 CO 0.00 -2.01 0.61 -1.58 -0.81 0.00 0.00 175.30 171.50 1jjj s TRP 11 N 4.64 3.11 -0.03 5.12 0.52 -0.55 -0.29 118.94 131.46 1jjj s TRP 11 Ca 0.33 -1.10 -0.30 0.00 0.02 0.00 0.00 56.10 55.05 1jjj s TRP 11 Cb -0.08 -3.90 -0.03 0.00 -1.15 0.00 0.00 33.47 28.30 1jjj s TRP 11 CO 0.04 -1.16 1.11 0.50 0.02 0.00 0.00 176.95 177.46 1jjj s ARG 12 N 2.18 4.43 -0.02 4.98 3.52 0.09 -0.52 118.95 133.60 1jjj s ARG 12 Ca 0.08 1.58 -0.30 0.00 -0.13 0.00 0.00 55.73 56.96 1jjj s ARG 12 Cb -0.27 -3.49 -0.06 0.00 -1.56 0.00 0.00 34.95 29.57 1jjj s ARG 12 CO 0.05 -0.30 1.61 -1.17 -0.81 0.00 0.00 175.30 174.69 1jjj s LEU 13 N 1.67 4.33 -0.12 -0.88 2.96 -0.28 -0.97 118.68 125.39 1jjj s LEU 13 Ca 0.54 2.27 -0.04 0.00 -0.22 0.00 0.00 54.13 56.68 1jjj s LEU 13 Cb -0.24 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.85 1jjj s LEU 13 CO 0.24 -0.89 -0.13 1.33 -1.32 0.00 0.00 176.35 175.58 1jjj n VAL 14 N 5.20 0.64 -5.16 1.68 0.24 -0.66 -4.76 118.33 115.51 1jjj n VAL 14 Ca 0.16 -0.19 -0.31 0.00 -2.04 0.00 0.00 64.34 61.96 1jjj n VAL 14 Cb 0.42 -1.40 -0.17 0.00 -1.47 0.00 0.00 33.84 31.23 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 -5.72 2.94 -0.50 -1.34 -1.08 -1.17 -5.01 116.67 104.80 1jjj s ASP 15 Ca -0.16 -0.52 0.07 0.00 -0.52 0.00 0.00 52.55 51.42 1jjj s ASP 15 Cb 0.05 -1.20 0.24 0.00 -1.46 0.00 0.00 42.92 40.56 1jjj s ASP 15 CO 0.22 0.17 0.60 -1.54 0.52 0.00 0.00 175.17 175.14 1jjj n SER 16 N 3.40 1.59 -4.70 -0.34 3.41 -1.26 -1.27 113.62 114.46 1jjj n SER 16 Ca -0.19 -2.98 -0.42 0.00 -0.26 0.00 0.00 58.87 55.03 1jjj n SER 16 Cb 0.53 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.63 4.43 0.00 4.33 -2.85 -1.22 -3.74 119.74 119.07 1jjj s LYS 17 Ca 0.36 1.21 0.00 0.00 -1.00 0.00 0.00 55.97 56.54 1jjj s LYS 17 Cb 0.15 -3.51 0.00 0.00 -2.06 0.00 0.00 37.83 32.41 1jjj s LYS 17 CO -0.08 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.62 1jjj n GLY 18 N 3.13 0.59 0.13 0.59 0.00 -1.26 -1.30 105.19 107.07 1jjj n GLY 18 Ca 0.05 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 0.57 -0.90 1.61 3.57 -1.87 -2.93 116.94 116.99 1jjj h PHE 19 Ca 0.00 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1jjj h PHE 19 Cb 0.00 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1jjj h PHE 19 CO 0.00 1.57 0.56 0.22 -2.23 0.00 0.00 178.31 178.43 1jjj h ASP 20 N -0.16 1.07 -0.09 0.41 3.58 -1.96 -1.05 116.42 118.21 1jjj h ASP 20 Ca -0.30 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1jjj h ASP 20 Cb 1.87 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.65 1jjj h ASP 20 CO 0.12 0.80 0.05 1.05 -2.88 0.00 0.00 179.24 178.38 1jjj h GLU 21 N 1.24 0.10 -0.25 0.28 4.11 -1.99 -1.19 114.58 116.88 1jjj h GLU 21 Ca 0.33 -0.01 0.05 0.00 0.07 0.00 0.00 59.36 59.80 1jjj h GLU 21 Cb -0.09 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 1jjj h GLU 21 CO -0.06 0.07 -0.05 -0.92 0.07 0.00 0.00 179.01 178.12 1jjj h TYR 22 N 0.11 -0.10 -0.48 2.06 3.20 -1.44 -1.41 116.97 118.90 1jjj h TYR 22 Ca 0.04 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1jjj h TYR 22 Cb 0.00 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1jjj h TYR 22 CO -0.08 -0.09 0.06 0.52 -1.64 0.00 0.00 178.16 176.93 1jjj h MET 23 N 0.02 0.76 -0.46 1.82 2.86 -1.24 -0.75 114.93 117.94 1jjj h MET 23 Ca 0.12 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1jjj h MET 23 Cb 0.17 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1jjj h MET 23 CO -0.24 0.73 0.26 0.87 1.06 0.00 0.00 176.91 179.59 1jjj h LYS 24 N 0.73 0.51 -0.59 1.72 1.57 -1.14 -1.16 116.57 118.20 1jjj h LYS 24 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1jjj h LYS 24 Cb 0.35 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1jjj h LYS 24 CO 0.01 0.33 0.39 1.49 -0.57 0.00 0.00 179.45 181.10 1jjj h GLU 25 N 0.52 0.78 -0.89 3.15 4.57 -1.04 -2.71 114.58 118.97 1jjj h GLU 25 Ca 0.19 -0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.43 1jjj h GLU 25 Cb 0.04 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.39 1jjj h GLU 25 CO -0.10 0.52 0.57 -0.07 -1.18 0.00 0.00 179.01 178.76 1jjj h LEU 26 N 0.80 0.75 0.00 1.64 3.38 -1.17 -3.48 115.31 117.23 1jjj h LEU 26 Ca 0.22 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1jjj h LEU 26 Cb -0.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1jjj h LEU 26 CO -0.05 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1jjj n GLY 27 N -1.41 0.82 3.29 0.83 0.00 -0.73 -5.10 105.19 102.89 1jjj n GLY 27 Ca 0.16 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.70 2.84 0.88 1.61 1.01 -0.52 -5.02 120.40 119.49 1jjj s VAL 28 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1jjj s VAL 28 Cb 0.00 -2.22 0.12 0.00 0.00 0.00 0.00 36.38 34.28 1jjj s VAL 28 CO 0.00 0.50 1.09 -0.83 0.00 0.00 0.00 175.10 175.86 1jjj s GLY 29 N 0.86 1.63 0.15 4.51 0.00 -1.26 -4.63 107.32 108.58 1jjj s GLY 29 Ca -0.04 0.01 -0.17 0.00 0.00 0.00 0.00 44.72 44.53 1jjj s GLY 29 CO -0.00 0.48 1.71 0.16 0.00 0.00 0.00 173.10 175.45 1jjj h ILE 30 N -1.50 0.78 -0.48 0.90 -0.00 -2.00 -0.18 117.51 115.04 1jjj h ILE 30 Ca -0.48 -0.04 0.00 0.00 -0.00 0.00 0.00 64.86 64.33 1jjj h ILE 30 Cb 1.27 0.64 -0.02 0.00 -0.00 0.00 0.00 36.82 38.71 1jjj h ILE 30 CO 0.54 0.02 0.30 0.00 -0.00 0.00 0.00 178.15 179.01 1jjj h ALA 31 N 1.28 0.61 -0.58 0.16 0.00 -1.99 -1.18 119.26 117.55 1jjj h ALA 31 Ca 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1jjj h ALA 31 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1jjj h ALA 31 CO -0.25 0.08 0.38 -0.07 0.00 0.00 0.00 179.25 179.39 1jjj h LEU 32 N 0.64 0.66 -0.37 0.00 3.38 -1.86 -1.13 115.31 116.63 1jjj h LEU 32 Ca 0.17 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1jjj h LEU 32 Cb -0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1jjj h LEU 32 CO -0.03 0.47 0.01 0.03 0.09 0.00 0.00 178.44 179.01 1jjj h ARG 33 N 0.78 0.64 -0.27 1.13 3.08 -1.03 0.28 114.38 118.98 1jjj h ARG 33 Ca 0.22 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1jjj h ARG 33 Cb -0.08 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 1jjj h ARG 33 CO -0.05 0.74 0.03 -0.22 -1.07 0.00 0.00 179.97 179.40 1jjj h LYS 34 N 0.46 0.12 0.18 0.04 3.64 -1.22 0.09 116.57 119.89 1jjj h LYS 34 Ca 0.11 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1jjj h LYS 34 Cb 0.44 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 1jjj h LYS 34 CO 0.02 0.08 -0.44 1.98 -2.27 0.00 0.00 179.45 178.81 1jjj h MET 35 N 0.13 -0.69 -0.68 1.90 4.05 -1.24 -3.11 114.93 115.28 1jjj h MET 35 Ca 0.13 0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.66 1jjj h MET 35 Cb 0.15 0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 31.05 1jjj h MET 35 CO -0.19 -0.46 0.36 0.78 0.23 0.00 0.00 176.91 177.63 1jjj h GLY 36 N -0.72 1.00 0.98 1.39 0.00 -0.83 -0.60 103.07 104.28 1jjj h GLY 36 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1jjj h GLY 36 CO -0.22 0.13 0.25 0.00 0.00 0.00 0.00 176.54 176.70 1jjj h ALA 37 N 1.37 0.56 0.00 3.60 0.00 -1.07 -3.19 119.26 120.53 1jjj h ALA 37 Ca 0.31 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1jjj h ALA 37 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1jjj h ALA 37 CO -0.20 0.08 -0.63 0.00 0.00 0.00 0.00 179.25 178.49 1jjj h MET 38 N 0.58 0.00 -6.03 0.00 -0.00 -1.53 -3.44 114.93 104.51 1jjj h MET 38 Ca 0.16 0.00 -0.52 0.00 -0.00 0.00 0.00 59.70 59.34 1jjj h MET 38 Cb 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.61 1jjj h MET 38 CO -0.03 0.63 1.35 0.00 -0.00 0.00 0.00 176.91 178.87 1jjj s ALA 39 N -3.39 2.32 -0.71 -3.00 0.00 -0.23 -4.98 121.76 111.76 1jjj s ALA 39 Ca -0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.49 1jjj s ALA 39 Cb 0.11 -4.23 0.18 0.00 0.00 0.00 0.00 23.12 19.19 1jjj s ALA 39 CO 0.76 -3.59 0.62 -1.59 0.00 0.00 0.00 175.76 171.95 1jjj s LYS 40 N 6.75 3.19 0.61 0.00 -2.85 -1.26 -4.90 119.74 121.29 1jjj s LYS 40 Ca 0.73 -2.28 -0.11 0.00 -1.00 0.00 0.00 55.97 53.31 1jjj s LYS 40 Cb -0.16 -4.22 -0.04 0.00 -2.06 0.00 0.00 37.83 31.35 1jjj s LYS 40 CO 0.25 -1.26 1.02 -1.25 0.10 0.00 0.00 175.35 174.20 1jjj s PRO 41 N 0.47 3.56 -0.59 1.78 0.04 -1.26 -4.61 135.00 134.40 1jjj s PRO 41 Ca 0.14 0.70 -0.25 0.00 0.04 0.00 0.00 61.00 61.64 1jjj s PRO 41 Cb -0.17 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.32 1jjj s PRO 41 CO -0.05 -0.57 1.00 -0.51 0.04 0.00 0.00 177.00 176.91 1jjj s ASP 42 N -4.18 6.31 -0.78 6.66 1.11 -0.78 -1.13 116.67 123.88 1jjj s ASP 42 Ca 0.55 -0.40 -0.22 0.00 0.18 0.00 0.00 52.55 52.65 1jjj s ASP 42 Cb -0.11 -2.46 0.08 0.00 1.07 0.00 0.00 42.92 41.50 1jjj s ASP 42 CO 0.53 -1.34 1.09 0.00 1.18 0.00 0.00 175.17 176.63 1jjj s ILE 44 N 3.95 4.59 0.02 0.00 1.09 -0.14 -1.49 121.20 129.22 1jjj s ILE 44 Ca 0.29 0.02 -0.07 0.00 -1.10 0.00 0.00 60.65 59.79 1jjj s ILE 44 Cb -0.11 -4.43 -0.05 0.00 -1.06 0.00 0.00 42.46 36.81 1jjj s ILE 44 CO 0.03 -0.96 0.29 -0.63 -0.10 0.00 0.00 174.94 173.57 1jjj s ILE 45 N 3.41 5.27 -0.17 2.92 1.01 -0.52 -1.03 121.20 132.09 1jjj s ILE 45 Ca 0.25 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.05 1jjj s ILE 45 Cb -0.15 -3.58 0.08 0.00 0.01 0.00 0.00 42.46 38.83 1jjj s ILE 45 CO 0.17 0.35 0.27 -0.89 0.00 0.00 0.00 174.94 174.84 1jjj s THR 46 N -1.32 -0.42 -0.33 2.92 2.01 -0.26 -1.15 115.64 117.09 1jjj s THR 46 Ca 0.28 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.37 1jjj s THR 46 Cb -0.13 -0.58 0.07 0.00 0.01 0.00 0.00 72.50 71.87 1jjj s THR 46 CO 0.17 -0.02 0.05 0.00 -0.69 0.00 0.00 174.62 174.13 1jjj n ASP 48 N 4.60 5.54 0.00 0.00 8.00 -0.68 -4.45 116.55 129.57 1jjj n ASP 48 Ca -0.10 -3.04 0.00 0.00 0.71 0.00 0.00 54.79 52.36 1jjj n ASP 48 Cb 0.43 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1jjj n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 49 N 2.69 1.36 0.01 0.44 0.00 -1.26 -3.20 105.19 105.23 1jjj n GLY 49 Ca 0.25 0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.66 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 0.36 -4.17 1.61 4.76 -1.26 -4.89 118.16 114.57 1jjj n LYS 50 Ca 0.00 -0.10 -0.34 0.00 -2.87 0.00 0.00 58.31 55.00 1jjj n LYS 50 Cb 0.00 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 31.56 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 -3.86 5.20 -0.17 4.39 2.20 -1.19 -0.36 114.94 121.14 1jjj s ASN 51 Ca -0.00 -0.04 0.00 0.00 -0.94 0.00 0.00 52.86 51.88 1jjj s ASN 51 Cb 0.15 -1.88 0.03 0.00 -2.00 0.00 0.00 41.25 37.56 1jjj s ASN 51 CO 0.88 0.16 -0.11 -0.22 -2.94 0.00 0.00 177.10 174.88 1jjj s LEU 52 N 0.45 1.90 -0.13 3.54 0.20 -0.07 -1.68 118.68 122.90 1jjj s LEU 52 Ca -0.00 -0.68 -0.03 0.00 0.69 0.00 0.00 54.13 54.10 1jjj s LEU 52 Cb -0.13 -1.14 -0.03 0.00 -0.43 0.00 0.00 46.19 44.46 1jjj s LEU 52 CO 0.02 -0.12 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.05 1jjj s THR 53 N 1.49 4.16 -0.23 3.68 2.01 -0.25 -0.84 115.64 125.66 1jjj s THR 53 Ca 0.02 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1jjj s THR 53 Cb -0.15 -2.80 0.06 0.00 0.01 0.00 0.00 72.50 69.62 1jjj s THR 53 CO -0.09 0.54 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.67 1jjj s ILE 54 N -0.16 1.62 0.47 1.82 1.01 -0.08 -1.10 121.20 124.78 1jjj s ILE 54 Ca 0.04 -1.21 -0.05 0.00 0.00 0.00 0.00 60.65 59.43 1jjj s ILE 54 Cb -0.13 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1jjj s ILE 54 CO 0.02 -0.02 0.77 -0.75 0.00 0.00 0.00 174.94 174.95 1jjj s LYS 55 N 1.37 3.55 -0.27 2.79 2.20 -0.20 -1.30 119.74 127.89 1jjj s LYS 55 Ca -0.05 0.18 -0.01 0.00 -0.36 0.00 0.00 55.97 55.73 1jjj s LYS 55 Cb -0.18 -2.40 0.13 0.00 -1.51 0.00 0.00 37.83 33.87 1jjj s LYS 55 CO -0.07 -0.17 0.31 0.99 -0.36 0.00 0.00 175.35 176.06 1jjj s THR 56 N -2.68 -0.46 -0.36 3.43 2.01 0.24 -0.97 115.64 116.85 1jjj s THR 56 Ca 0.47 -0.35 -0.15 0.00 0.31 0.00 0.00 61.69 61.98 1jjj s THR 56 Cb -0.10 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1jjj s THR 56 CO 0.43 -0.35 0.33 -1.61 -0.69 0.00 0.00 174.62 172.72 1jjj s GLU 57 N 2.41 3.44 -0.10 4.92 2.02 -0.22 -1.32 118.70 129.86 1jjj s GLU 57 Ca 0.10 -0.58 -0.09 0.00 0.02 0.00 0.00 54.97 54.42 1jjj s GLU 57 Cb -0.14 -3.84 0.03 0.00 0.10 0.00 0.00 34.13 30.28 1jjj s GLU 57 CO -0.27 -0.55 0.26 0.45 0.02 0.00 0.00 175.26 175.17 1jjj s SER 58 N 1.73 -0.27 0.54 -0.19 0.15 -1.26 -1.88 113.70 112.53 1jjj s SER 58 Ca 0.09 0.52 0.26 0.00 0.70 0.00 0.00 55.95 57.53 1jjj s SER 58 Cb -0.17 0.54 1.44 0.00 -1.71 0.00 0.00 66.02 66.12 1jjj s SER 58 CO 0.11 -0.10 1.99 0.00 1.20 0.00 0.00 173.24 176.44 1jjj h THR 59 N 4.72 0.65 0.06 6.45 1.03 -1.97 -2.87 112.91 120.98 1jjj h THR 59 Ca -0.26 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 65.95 1jjj h THR 59 Cb 1.19 0.72 -0.01 0.00 -1.07 0.00 0.00 68.15 68.98 1jjj h THR 59 CO 0.34 0.00 -0.98 -0.07 -0.01 0.00 0.00 175.52 174.80 1jjj h LEU 60 N 0.00 0.19 -6.61 0.00 3.38 -1.97 -3.46 115.31 106.85 1jjj h LEU 60 Ca 0.24 -0.80 -0.29 0.00 0.09 0.00 0.00 57.88 57.12 1jjj h LEU 60 Cb 1.02 -0.06 -0.34 0.00 0.09 0.00 0.00 40.66 41.37 1jjj h LEU 60 CO -0.00 1.42 -0.60 -0.75 0.09 0.00 0.00 178.44 178.59 1jjj s LYS 61 N -2.38 0.27 -0.03 1.13 2.47 -1.21 -5.10 119.74 114.89 1jjj s LYS 61 Ca -0.22 0.13 -0.19 0.00 -1.56 0.00 0.00 55.97 54.13 1jjj s LYS 61 Cb 0.03 -0.85 -0.05 0.00 -1.46 0.00 0.00 37.83 35.49 1jjj s LYS 61 CO 0.71 -0.80 0.55 0.99 0.16 0.00 0.00 175.35 176.95 1jjj s THR 62 N 2.38 4.98 0.10 3.43 2.01 -1.09 -4.12 115.64 123.34 1jjj s THR 62 Ca 0.09 1.13 0.02 0.00 0.31 0.00 0.00 61.69 63.25 1jjj s THR 62 Cb -0.15 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1jjj s THR 62 CO -0.21 0.42 -0.08 0.42 -0.69 0.00 0.00 174.62 174.48 1jjj s THR 63 N -0.15 0.78 -0.15 -0.82 -4.23 -0.43 -4.99 115.64 105.65 1jjj s THR 63 Ca 0.29 -1.83 -0.09 0.00 -1.18 0.00 0.00 61.69 58.88 1jjj s THR 63 Cb -0.17 -1.56 0.05 0.00 1.34 0.00 0.00 72.50 72.16 1jjj s THR 63 CO 0.15 -0.77 0.37 -1.58 -0.54 0.00 0.00 174.62 172.25 1jjj s GLN 64 N -3.47 0.35 0.09 3.99 0.74 -1.26 -0.59 119.66 119.50 1jjj s GLN 64 Ca 0.10 0.70 -0.06 0.00 0.05 0.00 0.00 55.36 56.15 1jjj s GLN 64 Cb 0.02 -0.03 -0.02 0.00 1.10 0.00 0.00 33.01 34.09 1jjj s GLN 64 CO -0.03 -0.15 0.12 -0.59 -0.55 0.00 0.00 175.29 174.09 1jjj s PHE 65 N 1.26 0.35 0.01 1.67 -0.12 -0.42 -5.00 117.98 115.73 1jjj s PHE 65 Ca -0.09 -0.81 0.00 0.00 -0.05 0.00 0.00 56.93 55.99 1jjj s PHE 65 Cb -0.08 -0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.09 1jjj s PHE 65 CO -0.11 -0.50 -0.02 -1.54 -0.05 0.00 0.00 175.22 173.00 1jjj s SER 66 N -2.90 0.23 0.13 1.98 1.04 -1.26 -0.90 113.70 112.01 1jjj s SER 66 Ca 0.08 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.25 1jjj s SER 66 Cb 0.06 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 1jjj s SER 66 CO -0.09 -0.16 -0.09 0.00 0.98 0.00 0.00 173.24 173.88 1jjj s THR 68 N -3.43 5.06 0.04 0.00 2.01 -1.26 -0.89 115.64 117.17 1jjj s THR 68 Ca 0.15 1.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 1jjj s THR 68 Cb 0.03 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1jjj s THR 68 CO -0.01 0.38 1.24 -0.22 -0.69 0.00 0.00 174.62 175.32 1jjj s LEU 69 N 0.15 4.35 0.00 4.42 2.96 0.51 -2.62 118.68 128.45 1jjj s LEU 69 Ca 0.28 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 1jjj s LEU 69 Cb -0.17 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1jjj s LEU 69 CO 0.14 -0.53 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 1jjj n GLY 70 N 3.31 2.75 3.91 7.98 0.00 0.34 -4.99 105.19 118.48 1jjj n GLY 70 Ca 0.10 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 0.22 0.09 1.61 8.01 -1.08 -4.66 118.70 122.90 1jjj s GLU 71 Ca 0.00 -0.50 0.06 0.00 0.01 0.00 0.00 54.97 54.55 1jjj s GLU 71 Cb 0.00 -1.81 -0.04 0.00 -4.31 0.00 0.00 34.13 27.98 1jjj s GLU 71 CO 0.00 -2.68 -0.09 -1.59 0.01 0.00 0.00 175.26 170.91 1jjj s LYS 72 N -5.93 2.21 0.13 1.61 -2.85 -1.26 -2.42 119.74 111.24 1jjj s LYS 72 Ca 0.76 -0.97 0.01 0.00 -1.00 0.00 0.00 55.97 54.77 1jjj s LYS 72 Cb -0.03 -2.35 0.01 0.00 -2.06 0.00 0.00 37.83 33.41 1jjj s LYS 72 CO 0.54 0.52 0.08 1.97 0.10 0.00 0.00 175.35 178.56 1jjj n PHE 73 N 0.80 -1.02 -3.93 1.78 -1.74 -0.56 -4.89 117.46 107.89 1jjj n PHE 73 Ca -0.13 -0.55 -0.35 0.00 -0.56 0.00 0.00 57.45 55.86 1jjj n PHE 73 Cb 0.52 -0.10 -0.14 0.00 1.52 0.00 0.00 39.48 41.28 1jjj n PHE 73 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 1jjj s GLU 74 N -2.51 2.38 -0.63 3.97 2.12 -1.26 -0.53 118.70 122.24 1jjj s GLU 74 Ca 0.06 -1.30 -0.25 0.00 0.36 0.00 0.00 54.97 53.84 1jjj s GLU 74 Cb -0.00 -3.16 0.05 0.00 0.26 0.00 0.00 34.13 31.27 1jjj s GLU 74 CO 0.04 -0.63 1.07 -2.00 -0.54 0.00 0.00 175.26 173.19 1jjj s GLU 75 N 1.22 3.26 -0.70 4.30 2.12 0.07 -4.83 118.70 124.15 1jjj s GLU 75 Ca -0.05 -0.34 -0.27 0.00 0.36 0.00 0.00 54.97 54.67 1jjj s GLU 75 Cb -0.20 -4.13 0.02 0.00 0.26 0.00 0.00 34.13 30.08 1jjj s GLU 75 CO -0.02 -1.77 1.41 0.99 -0.54 0.00 0.00 175.26 175.34 1jjj s THR 76 N 4.56 3.65 0.73 -1.70 2.01 -1.26 -0.93 115.64 122.70 1jjj s THR 76 Ca 0.31 0.38 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 1jjj s THR 76 Cb -0.12 -4.68 0.03 0.00 0.01 0.00 0.00 72.50 67.74 1jjj s THR 76 CO 0.17 -1.61 1.08 0.42 -0.69 0.00 0.00 174.62 173.98 1jjj s THR 77 N 6.49 3.65 0.33 -0.82 -4.23 -0.61 -4.93 115.64 115.52 1jjj s THR 77 Ca 0.43 0.55 0.11 0.00 -1.18 0.00 0.00 61.69 61.61 1jjj s THR 77 Cb -0.09 -3.15 0.32 0.00 1.34 0.00 0.00 72.50 70.92 1jjj s THR 77 CO 0.17 -0.69 1.66 0.00 -0.54 0.00 0.00 174.62 175.22 1jjj h ALA 78 N -0.86 1.79 -0.73 3.99 0.00 -1.95 -1.41 119.26 120.10 1jjj h ALA 78 Ca -0.44 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1jjj h ALA 78 Cb 1.22 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1jjj h ALA 78 CO 0.54 -0.53 0.27 -0.44 0.00 0.00 0.00 179.25 179.09 1jjj h ASP 79 N 0.31 1.01 0.00 0.00 5.19 -1.99 -3.48 116.42 117.46 1jjj h ASP 79 Ca 0.69 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 1jjj h ASP 79 Cb 1.52 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1jjj h ASP 79 CO -0.61 0.91 0.00 0.61 -3.12 0.00 0.00 179.24 177.03 1jjj n GLY 80 N -0.89 1.53 3.65 2.75 0.00 -0.53 -5.13 105.19 106.57 1jjj n GLY 80 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 4.10 -0.47 1.61 0.52 -1.26 -4.78 118.95 118.68 1jjj s ARG 81 Ca 0.00 1.98 -0.21 0.00 -0.52 0.00 0.00 55.73 56.98 1jjj s ARG 81 Cb 0.00 -3.96 0.03 0.00 0.52 0.00 0.00 34.95 31.55 1jjj s ARG 81 CO 0.00 -0.92 0.68 0.15 0.02 0.00 0.00 175.30 175.23 1jjj s LYS 82 N 4.08 3.26 -0.31 3.54 1.02 -1.26 -1.58 119.74 128.48 1jjj s LYS 82 Ca 0.70 -0.46 -0.05 0.00 0.02 0.00 0.00 55.97 56.18 1jjj s LYS 82 Cb -0.29 -3.99 0.03 0.00 -0.52 0.00 0.00 37.83 33.06 1jjj s LYS 82 CO 0.27 -1.11 0.06 0.95 -0.92 0.00 0.00 175.35 174.59 1jjj s THR 83 N 2.92 3.53 -0.71 2.17 -4.23 -0.10 -4.73 115.64 114.48 1jjj s THR 83 Ca 0.22 -1.10 -0.26 0.00 -1.18 0.00 0.00 61.69 59.37 1jjj s THR 83 Cb -0.15 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1jjj s THR 83 CO 0.18 -0.07 1.74 -1.10 -0.54 0.00 0.00 174.62 174.83 1jjj s GLN 84 N 1.38 2.77 -0.20 3.99 1.11 0.58 -0.75 119.66 128.54 1jjj s GLN 84 Ca -0.02 0.20 -0.01 0.00 0.01 0.00 0.00 55.36 55.55 1jjj s GLN 84 Cb -0.19 -4.51 0.01 0.00 -1.01 0.00 0.00 33.01 27.31 1jjj s GLN 84 CO 0.01 -2.70 -0.14 0.99 0.01 0.00 0.00 175.29 173.46 1jjj s THR 85 N 8.38 2.58 -0.00 -0.19 2.01 0.31 -2.23 115.64 126.50 1jjj s THR 85 Ca 0.60 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 1jjj s THR 85 Cb -0.10 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1jjj s THR 85 CO 0.14 0.48 0.96 -0.69 -0.69 0.00 0.00 174.62 174.83 1jjj s VAL 86 N 1.36 4.88 -0.59 3.82 1.01 -0.54 -1.50 120.40 128.84 1jjj s VAL 86 Ca 0.05 2.02 -0.09 0.00 0.00 0.00 0.00 61.98 63.97 1jjj s VAL 86 Cb -0.14 -4.30 0.15 0.00 0.00 0.00 0.00 36.38 32.09 1jjj s VAL 86 CO -0.09 0.17 0.46 0.00 0.00 0.00 0.00 175.10 175.64 1jjj s ASN 88 N 2.08 2.26 0.09 0.00 4.22 -0.83 -0.51 114.94 122.25 1jjj s ASN 88 Ca 0.11 -0.38 -0.19 0.00 -2.14 0.00 0.00 52.86 50.26 1jjj s ASN 88 Cb -0.21 -0.99 -0.07 0.00 1.28 0.00 0.00 41.25 41.26 1jjj s ASN 88 CO -0.03 -0.02 0.58 0.12 -2.04 0.00 0.00 177.10 175.71 1jjj s PHE 89 N 1.13 3.78 -0.12 1.54 5.36 -1.26 -0.82 117.98 127.58 1jjj s PHE 89 Ca -0.05 1.26 -0.02 0.00 -0.96 0.00 0.00 56.93 57.16 1jjj s PHE 89 Cb -0.14 -2.49 0.04 0.00 -0.34 0.00 0.00 43.02 40.09 1jjj s PHE 89 CO -0.03 0.56 0.03 -0.08 -1.46 0.00 0.00 175.22 174.24 1jjj s THR 90 N -1.17 0.33 0.00 0.12 -1.32 -0.18 -4.97 115.64 108.45 1jjj s THR 90 Ca 0.31 -0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1jjj s THR 90 Cb -0.19 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 1jjj s THR 90 CO 0.19 0.03 0.00 -0.67 -2.21 0.00 0.00 174.62 171.96 1jjj n ASP 91 N 5.14 0.00 -1.07 8.08 2.03 -1.26 -1.80 116.55 127.68 1jjj n ASP 91 Ca -0.07 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.28 1jjj n ASP 91 Cb 0.49 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.00 3.24 3.10 0.27 0.00 -1.26 -4.22 105.19 106.32 1jjj n GLY 92 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.79 -0.66 -0.24 4.61 0.00 -0.74 -2.55 121.76 120.39 1jjj s ALA 93 Ca 0.36 1.10 -0.22 0.00 0.00 0.00 0.00 51.96 53.20 1jjj s ALA 93 Cb 0.38 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1jjj s ALA 93 CO -0.11 -0.22 0.72 -1.17 0.00 0.00 0.00 175.76 174.98 1jjj s LEU 94 N 1.30 4.08 -0.59 0.00 2.96 -0.38 -1.01 118.68 125.05 1jjj s LEU 94 Ca -0.09 0.88 -0.22 0.00 -0.22 0.00 0.00 54.13 54.47 1jjj s LEU 94 Cb -0.10 -3.01 0.06 0.00 0.50 0.00 0.00 46.19 43.64 1jjj s LEU 94 CO -0.09 -0.42 0.88 -0.69 -1.32 0.00 0.00 176.35 174.70 1jjj s VAL 95 N 2.57 4.48 -0.96 1.68 1.01 -0.00 -0.98 120.40 128.20 1jjj s VAL 95 Ca 0.31 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 1jjj s VAL 95 Cb -0.15 -4.55 0.13 0.00 0.00 0.00 0.00 36.38 31.81 1jjj s VAL 95 CO 0.08 -1.19 1.17 -1.58 0.00 0.00 0.00 175.10 173.58 1jjj s GLN 96 N 3.66 3.66 -0.68 2.72 0.74 -0.40 -1.97 119.66 127.40 1jjj s GLN 96 Ca 0.23 -1.85 -0.20 0.00 0.05 0.00 0.00 55.36 53.59 1jjj s GLN 96 Cb -0.16 -4.94 0.10 0.00 1.10 0.00 0.00 33.01 29.10 1jjj s GLN 96 CO 0.13 -1.78 0.86 -1.58 -0.55 0.00 0.00 175.29 172.38 1jjj s HIS 97 N 2.60 2.93 0.05 1.67 2.46 -0.24 -0.92 115.29 123.84 1jjj s HIS 97 Ca 0.34 -0.93 -0.30 0.00 0.47 0.00 0.00 55.06 54.64 1jjj s HIS 97 Cb -0.04 -4.15 -0.04 0.00 -0.13 0.00 0.00 32.58 28.21 1jjj s HIS 97 CO -0.08 -1.44 0.99 -0.65 -2.47 0.00 0.00 174.74 171.08 1jjj s GLN 98 N 3.07 4.61 -0.07 2.88 -0.21 0.46 -1.46 119.66 128.93 1jjj s GLN 98 Ca 0.19 1.46 0.01 0.00 0.02 0.00 0.00 55.36 57.03 1jjj s GLN 98 Cb -0.18 -3.42 0.02 0.00 1.00 0.00 0.00 33.01 30.43 1jjj s GLN 98 CO 0.05 0.05 -0.07 -2.00 -2.12 0.00 0.00 175.29 171.19 1jjj s GLU 99 N 0.58 1.20 -0.07 2.91 -6.30 -0.95 -1.43 118.70 114.65 1jjj s GLU 99 Ca 0.50 -0.19 -0.03 0.00 -2.50 0.00 0.00 54.97 52.75 1jjj s GLU 99 Cb -0.23 -1.19 0.04 0.00 0.00 0.00 0.00 34.13 32.76 1jjj s GLU 99 CO 0.29 -0.13 0.14 1.67 0.02 0.00 0.00 175.26 177.26 1jjj s TRP 100 N 1.18 -0.15 -1.50 5.30 -2.14 -0.13 -0.31 118.94 121.19 1jjj s TRP 100 Ca -0.06 0.54 -0.09 0.00 2.66 0.00 0.00 56.10 59.15 1jjj s TRP 100 Cb -0.14 -0.25 0.07 0.00 -3.10 0.00 0.00 33.47 30.05 1jjj s TRP 100 CO -0.02 -0.24 0.73 -3.47 -2.66 0.00 0.00 176.95 171.30 1jjj n ASP 101 N 5.08 -2.58 -1.39 -2.66 2.03 -1.26 -1.44 116.55 114.34 1jjj n ASP 101 Ca -0.09 -0.91 -0.14 0.00 0.52 0.00 0.00 54.79 54.17 1jjj n ASP 101 Cb 0.50 -3.41 -0.03 0.00 -0.72 0.00 0.00 41.12 37.46 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 -1.68 0.49 2.85 0.27 0.00 -1.26 -5.05 105.19 100.81 1jjj n GLY 102 Ca -0.11 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.07 0.62 0.06 1.61 1.02 -0.52 -5.17 119.74 113.29 1jjj s LYS 103 Ca 0.00 -0.02 0.07 0.00 0.02 0.00 0.00 55.97 56.04 1jjj s LYS 103 Cb 0.00 -0.72 -0.03 0.00 -0.52 0.00 0.00 37.83 36.56 1jjj s LYS 103 CO 0.00 -0.12 -0.18 -1.83 -0.92 0.00 0.00 175.35 172.30 1jjj s GLU 104 N 1.06 1.14 -0.06 1.68 -1.05 -1.26 -0.96 118.70 119.26 1jjj s GLU 104 Ca -0.09 -0.94 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 1jjj s GLU 104 Cb -0.14 -1.25 0.02 0.00 -0.44 0.00 0.00 34.13 32.32 1jjj s GLU 104 CO -0.01 0.31 -0.03 0.45 0.95 0.00 0.00 175.26 176.92 1jjj s SER 105 N -1.38 1.23 -0.19 0.83 0.15 -0.51 -4.48 113.70 109.35 1jjj s SER 105 Ca 0.05 -0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.49 1jjj s SER 105 Cb -0.09 -0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 63.70 1jjj s SER 105 CO 0.02 -0.10 0.08 -0.89 1.20 0.00 0.00 173.24 173.55 1jjj s THR 106 N 1.28 4.94 -0.37 6.45 2.01 -0.33 -0.41 115.64 129.21 1jjj s THR 106 Ca -0.05 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.00 1jjj s THR 106 Cb -0.14 -3.24 0.11 0.00 0.01 0.00 0.00 72.50 69.24 1jjj s THR 106 CO -0.02 0.45 0.09 -0.63 -0.69 0.00 0.00 174.62 173.83 1jjj s ILE 107 N 0.40 2.26 -0.54 1.82 1.01 -0.10 -1.54 121.20 124.51 1jjj s ILE 107 Ca 0.04 -2.49 -0.19 0.00 0.00 0.00 0.00 60.65 58.01 1jjj s ILE 107 Cb -0.12 -2.65 0.08 0.00 0.01 0.00 0.00 42.46 39.77 1jjj s ILE 107 CO -0.00 -0.64 0.65 -0.89 0.00 0.00 0.00 174.94 174.05 1jjj s THR 108 N 0.70 4.86 -0.60 2.92 2.01 -0.23 -1.27 115.64 124.03 1jjj s THR 108 Ca 0.12 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.22 1jjj s THR 108 Cb -0.20 -4.37 0.10 0.00 0.01 0.00 0.00 72.50 68.03 1jjj s THR 108 CO -0.07 -0.93 0.73 -0.13 -0.69 0.00 0.00 174.62 173.53 1jjj s ARG 109 N 2.63 3.05 -0.06 4.92 0.52 -0.15 -1.49 118.95 128.38 1jjj s ARG 109 Ca 0.13 -1.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.14 1jjj s ARG 109 Cb -0.21 -4.26 -0.02 0.00 0.52 0.00 0.00 34.95 30.98 1jjj s ARG 109 CO 0.09 -1.57 -0.17 -1.59 0.02 0.00 0.00 175.30 172.09 1jjj s LYS 110 N 2.85 2.57 -0.41 3.54 -2.85 -0.28 -1.25 119.74 123.91 1jjj s LYS 110 Ca 0.13 -0.76 -0.29 0.00 -1.00 0.00 0.00 55.97 54.05 1jjj s LYS 110 Cb -0.23 -2.33 0.02 0.00 -2.06 0.00 0.00 37.83 33.23 1jjj s LYS 110 CO 0.07 0.53 1.16 -1.17 0.10 0.00 0.00 175.35 176.04 1jjj s LEU 111 N -0.50 3.74 0.00 2.77 1.98 -1.06 -1.22 118.68 124.39 1jjj s LEU 111 Ca 0.06 0.74 0.00 0.00 -2.89 0.00 0.00 54.13 52.04 1jjj s LEU 111 Cb -0.12 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 43.19 1jjj s LEU 111 CO 0.01 -1.15 0.00 1.17 -1.89 0.00 0.00 176.35 174.50 1jjj n LYS 112 N 7.54 2.56 -2.34 1.98 3.00 0.23 -4.97 118.16 126.16 1jjj n LYS 112 Ca 0.13 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.02 1jjj n LYS 112 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.51 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 5.79 -2.63 3.14 8.00 -1.26 -4.03 116.55 125.56 1jjj n ASP 113 Ca 0.00 -3.16 -0.18 0.00 0.71 0.00 0.00 54.79 52.16 1jjj n ASP 113 Cb 0.00 -1.43 0.04 0.00 -0.02 0.00 0.00 41.12 39.71 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 2.40 -0.26 3.64 0.44 0.00 -1.26 -5.04 105.19 105.11 1jjj n GLY 114 Ca 0.42 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 1jjj n GLY 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jjj s LYS 115 N -5.67 0.54 -0.27 1.61 2.47 -1.26 -4.55 119.74 112.61 1jjj s LYS 115 Ca 0.32 0.79 -0.20 0.00 -1.56 0.00 0.00 55.97 55.33 1jjj s LYS 115 Cb -0.14 0.18 -0.02 0.00 -1.46 0.00 0.00 37.83 36.39 1jjj s LYS 115 CO 0.40 -0.09 0.61 -1.17 0.16 0.00 0.00 175.35 175.26 1jjj s LEU 116 N 0.93 4.08 -0.37 5.43 2.96 0.19 -0.60 118.68 131.30 1jjj s LEU 116 Ca -0.04 0.61 -0.18 0.00 -0.22 0.00 0.00 54.13 54.30 1jjj s LEU 116 Cb -0.05 -2.82 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1jjj s LEU 116 CO -0.11 -0.39 0.51 -0.69 -1.32 0.00 0.00 176.35 174.35 1jjj s VAL 117 N 2.50 5.02 -0.42 1.68 1.01 -0.36 -1.27 120.40 128.55 1jjj s VAL 117 Ca 0.25 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 1jjj s VAL 117 Cb -0.15 -3.99 0.10 0.00 0.00 0.00 0.00 36.38 32.34 1jjj s VAL 117 CO 0.09 -0.27 0.25 -0.69 0.00 0.00 0.00 175.10 174.49 1jjj s VAL 118 N 2.38 3.82 -0.72 2.92 1.01 -0.06 -1.13 120.40 128.62 1jjj s VAL 118 Ca 0.18 -1.75 -0.21 0.00 0.00 0.00 0.00 61.98 60.20 1jjj s VAL 118 Cb -0.16 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.84 1jjj s VAL 118 CO 0.14 -0.63 0.98 -1.61 0.00 0.00 0.00 175.10 173.98 1jjj s GLU 119 N 1.30 3.23 -0.40 2.72 2.02 -0.56 -0.99 118.70 126.03 1jjj s GLU 119 Ca 0.05 -1.12 -0.14 0.00 0.02 0.00 0.00 54.97 53.78 1jjj s GLU 119 Cb -0.24 -4.42 0.02 0.00 0.10 0.00 0.00 34.13 29.59 1jjj s GLU 119 CO -0.01 -1.78 0.27 0.00 0.02 0.00 0.00 175.26 173.76 1jjj s VAL 121 N 1.65 1.21 0.00 0.00 0.11 -0.59 -0.82 120.40 121.96 1jjj s VAL 121 Ca 0.04 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1jjj s VAL 121 Cb -0.19 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1jjj s VAL 121 CO 0.09 0.08 0.00 0.80 -3.33 0.00 0.00 175.10 172.74 1jjj n MET 122 N 2.00 0.00 -3.59 1.54 1.56 -1.14 -1.18 117.12 116.30 1jjj n MET 122 Ca -0.17 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 56.86 1jjj n MET 122 Cb 0.54 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.83 1jjj n MET 122 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1jjj s ASN 123 N -0.70 5.66 0.00 6.12 2.20 -1.26 -4.71 114.94 122.25 1jjj s ASN 123 Ca 0.00 -2.16 0.00 0.00 -0.94 0.00 0.00 52.86 49.76 1jjj s ASN 123 Cb 0.00 -1.98 0.00 0.00 -2.00 0.00 0.00 41.25 37.27 1jjj s ASN 123 CO 0.00 -0.61 0.00 0.59 -2.94 0.00 0.00 177.10 174.14 1jjj n ASN 124 N 4.54 0.00 -4.57 3.54 4.13 -1.26 -4.95 115.26 116.68 1jjj n ASN 124 Ca -0.02 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.81 1jjj n ASN 124 Cb 0.41 -0.03 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1jjj s VAL 125 N -0.04 4.23 -0.22 2.41 1.01 -1.26 -5.02 120.40 121.52 1jjj s VAL 125 Ca 0.00 0.81 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 1jjj s VAL 125 Cb 0.00 -4.60 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 1jjj s VAL 125 CO 0.00 -1.12 0.03 0.42 0.00 0.00 0.00 175.10 174.43 1jjj s THR 126 N 4.38 4.14 -0.17 3.92 -4.23 -1.26 -2.91 115.64 119.52 1jjj s THR 126 Ca 0.40 -0.24 -0.14 0.00 -1.18 0.00 0.00 61.69 60.53 1jjj s THR 126 Cb -0.09 -2.90 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 1jjj s THR 126 CO 0.26 0.40 0.29 0.00 -0.54 0.00 0.00 174.62 175.03 1jjj s THR 128 N 0.59 4.41 -0.23 0.00 2.01 -0.42 -0.98 115.64 121.02 1jjj s THR 128 Ca 0.16 -1.79 -0.14 0.00 0.31 0.00 0.00 61.69 60.23 1jjj s THR 128 Cb -0.13 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1jjj s THR 128 CO 0.04 -0.80 0.34 -0.13 -0.69 0.00 0.00 174.62 173.38 1jjj s ARG 129 N 1.33 4.09 -0.25 4.92 0.52 -0.16 -3.39 118.95 126.01 1jjj s ARG 129 Ca 0.06 0.04 -0.10 0.00 -0.52 0.00 0.00 55.73 55.22 1jjj s ARG 129 Cb -0.26 -3.58 -0.05 0.00 0.52 0.00 0.00 34.95 31.58 1jjj s ARG 129 CO -0.00 -0.11 0.14 0.42 0.02 0.00 0.00 175.30 175.77 1jjj s ILE 130 N 1.55 5.10 0.10 1.52 -1.09 -0.39 -0.88 121.20 127.11 1jjj s ILE 130 Ca 0.15 0.09 0.10 0.00 -2.23 0.00 0.00 60.65 58.77 1jjj s ILE 130 Cb -0.15 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 1jjj s ILE 130 CO 0.08 0.32 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.54 1jjj s TYR 131 N 1.33 2.25 -0.03 3.97 1.51 -0.40 -1.65 117.35 124.33 1jjj s TYR 131 Ca 0.07 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 1jjj s TYR 131 Cb -0.15 -1.26 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1jjj s TYR 131 CO 0.06 0.26 -0.22 -1.83 -1.11 0.00 0.00 175.55 172.71 1jjj s GLU 132 N -1.78 1.91 -0.40 -0.62 -1.05 -0.15 -0.64 118.70 115.96 1jjj s GLU 132 Ca 0.12 -0.78 -0.29 0.00 -0.15 0.00 0.00 54.97 53.88 1jjj s GLU 132 Cb -0.10 -1.77 0.01 0.00 -0.44 0.00 0.00 34.13 31.83 1jjj s GLU 132 CO 0.05 0.43 1.34 0.21 0.95 0.00 0.00 175.26 178.23 1jjj s LYS 133 N -0.38 3.67 -0.67 -4.83 2.20 -1.26 -0.74 119.74 117.73 1jjj s LYS 133 Ca 0.05 0.93 -0.13 0.00 -0.36 0.00 0.00 55.97 56.45 1jjj s LYS 133 Cb -0.10 -3.98 0.17 0.00 -1.51 0.00 0.00 37.83 32.42 1jjj s LYS 133 CO 0.00 -1.45 0.60 0.08 -0.36 0.00 0.00 175.35 174.23 1jjj s VAL 134 N 5.05 5.17 0.00 4.02 1.01 0.60 -4.97 120.40 131.29 1jjj s VAL 134 Ca 0.58 -2.10 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1jjj s VAL 134 Cb -0.13 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1jjj s VAL 134 CO 0.31 -0.93 0.00 -1.84 0.00 0.00 0.00 175.10 172.63