#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 1.02 -0.76 2.28 3.04 -1.98 -2.11 116.25 117.74 1jjj h VAL 4 Ca 0.00 -0.19 0.03 0.00 -1.01 0.00 0.00 66.70 65.52 1jjj h VAL 4 Cb 0.00 0.40 -0.04 0.00 -2.01 0.00 0.00 31.29 29.64 1jjj h VAL 4 CO 0.00 0.10 0.50 1.56 -1.01 0.00 0.00 177.57 178.73 1jjj h GLN 5 N 0.57 0.92 0.00 4.17 7.50 -2.00 -1.61 115.11 124.66 1jjj h GLN 5 Ca 0.24 -0.06 -0.19 0.00 0.50 0.00 0.00 58.65 59.14 1jjj h GLN 5 Cb 0.21 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 27.52 1jjj h GLN 5 CO -0.07 0.61 -0.87 1.96 -1.50 0.00 0.00 178.83 178.97 1jjj h GLN 6 N 0.95 0.06 0.00 1.46 1.08 -1.98 -3.25 115.11 113.42 1jjj h GLN 6 Ca 0.30 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1jjj h GLN 6 Cb 0.02 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1jjj h GLN 6 CO -0.08 0.88 0.00 -0.07 -0.95 0.00 0.00 178.83 178.61 1jjj h LEU 7 N 0.03 0.00 -9.83 1.46 3.38 -1.08 -3.45 115.31 105.82 1jjj h LEU 7 Ca -0.02 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 1jjj h LEU 7 Cb 1.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.22 1jjj h LEU 7 CO 0.12 0.00 -0.12 -1.83 0.09 0.00 0.00 178.44 176.70 1jjj s GLU 8 N -4.11 3.94 0.00 1.13 -1.05 -0.63 -4.80 118.70 113.18 1jjj s GLU 8 Ca -0.04 0.43 0.00 0.00 -0.15 0.00 0.00 54.97 55.21 1jjj s GLU 8 Cb 0.13 -2.95 0.00 0.00 -0.44 0.00 0.00 34.13 30.86 1jjj s GLU 8 CO 0.42 0.50 0.00 0.41 0.95 0.00 0.00 175.26 177.54 1jjj n GLY 9 N 0.85 0.77 3.55 -3.83 0.00 0.20 -4.95 105.19 101.78 1jjj n GLY 9 Ca -0.06 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.11 3.48 -0.34 1.61 3.52 -1.26 -1.16 118.95 123.68 1jjj s ARG 10 Ca 0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 55.73 55.58 1jjj s ARG 10 Cb 0.00 -3.92 0.06 0.00 -1.56 0.00 0.00 34.95 29.53 1jjj s ARG 10 CO 0.00 -1.12 0.08 -1.58 -0.81 0.00 0.00 175.30 171.87 1jjj s TRP 11 N 3.41 3.34 -0.11 5.12 0.52 -0.85 -0.22 118.94 130.15 1jjj s TRP 11 Ca 0.32 -1.87 -0.19 0.00 0.02 0.00 0.00 56.10 54.38 1jjj s TRP 11 Cb -0.12 -2.44 -0.04 0.00 -1.15 0.00 0.00 33.47 29.72 1jjj s TRP 11 CO 0.23 -0.83 0.53 0.50 0.02 0.00 0.00 176.95 177.41 1jjj s ARG 12 N 1.27 4.35 -0.09 4.98 3.52 0.11 -0.51 118.95 132.58 1jjj s ARG 12 Ca -0.01 0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 55.84 1jjj s ARG 12 Cb -0.20 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 1jjj s ARG 12 CO -0.01 0.11 1.38 -1.17 -0.81 0.00 0.00 175.30 174.80 1jjj s LEU 13 N 0.75 4.25 -0.10 -0.88 2.96 -0.63 -0.96 118.68 124.08 1jjj s LEU 13 Ca 0.28 1.93 -0.10 0.00 -0.22 0.00 0.00 54.13 56.02 1jjj s LEU 13 Cb -0.16 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1jjj s LEU 13 CO 0.12 -0.77 -0.22 1.33 -1.32 0.00 0.00 176.35 175.49 1jjj n VAL 14 N 5.16 1.28 -4.13 1.68 0.24 -0.45 -4.70 118.33 117.40 1jjj n VAL 14 Ca 0.14 0.12 -0.35 0.00 -2.04 0.00 0.00 64.34 62.22 1jjj n VAL 14 Cb 0.44 -1.97 -0.09 0.00 -1.47 0.00 0.00 33.84 30.75 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 -6.09 5.53 -0.62 -1.34 -1.08 -1.20 -5.00 116.67 106.85 1jjj s ASP 15 Ca -0.19 0.12 0.05 0.00 -0.52 0.00 0.00 52.55 52.01 1jjj s ASP 15 Cb 0.04 -1.83 0.30 0.00 -1.46 0.00 0.00 42.92 39.98 1jjj s ASP 15 CO 0.27 0.26 0.90 -1.54 0.52 0.00 0.00 175.17 175.58 1jjj n SER 16 N 2.97 4.33 -4.71 -0.34 3.41 -1.26 -1.12 113.62 116.89 1jjj n SER 16 Ca -0.18 -3.59 -0.42 0.00 -0.26 0.00 0.00 58.87 54.42 1jjj n SER 16 Cb 0.53 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1jjj n SER 16 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1jjj s LYS 17 N -3.12 4.13 -2.04 4.33 2.20 -0.95 -3.10 119.74 121.20 1jjj s LYS 17 Ca 0.45 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.65 1jjj s LYS 17 Cb 0.23 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1jjj s LYS 17 CO -0.09 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.52 1jjj n GLY 18 N 4.10 1.64 0.19 5.54 0.00 -1.26 -1.24 105.19 114.16 1jjj n GLY 18 Ca 0.17 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 0.90 -0.70 1.61 3.57 -1.91 -2.48 116.94 117.94 1jjj h PHE 19 Ca -0.41 -0.42 0.15 0.00 3.53 0.00 0.00 57.97 60.81 1jjj h PHE 19 Cb 1.29 -0.13 -0.11 0.00 2.79 0.00 0.00 35.95 39.79 1jjj h PHE 19 CO 0.55 1.24 0.14 0.22 -2.23 0.00 0.00 178.31 178.23 1jjj h ASP 20 N 0.31 -0.04 -0.24 0.41 3.58 -1.93 -0.14 116.42 118.37 1jjj h ASP 20 Ca -0.06 0.14 0.04 0.00 0.42 0.00 0.00 57.03 57.57 1jjj h ASP 20 Cb 1.37 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 42.58 1jjj h ASP 20 CO 0.15 -0.04 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.11 1jjj h GLU 21 N 0.24 0.05 -0.25 0.28 5.08 -1.97 -0.78 114.58 117.23 1jjj h GLU 21 Ca 0.39 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.77 1jjj h GLU 21 Cb 0.64 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1jjj h GLU 21 CO -0.50 0.03 0.09 -0.92 -1.00 0.00 0.00 179.01 176.71 1jjj h TYR 22 N 0.05 0.16 -0.43 4.33 3.20 -1.17 -2.11 116.97 120.99 1jjj h TYR 22 Ca 0.12 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1jjj h TYR 22 Cb 0.16 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1jjj h TYR 22 CO -0.21 0.08 0.29 0.52 -1.64 0.00 0.00 178.16 177.19 1jjj h MET 23 N 0.20 0.53 0.14 1.82 2.86 -1.00 -0.86 114.93 118.62 1jjj h MET 23 Ca 0.11 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1jjj h MET 23 Cb 0.07 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1jjj h MET 23 CO -0.11 0.35 -0.12 0.87 1.06 0.00 0.00 176.91 178.96 1jjj h LYS 24 N 0.54 -0.26 -0.56 1.72 1.57 -0.99 -0.46 116.57 118.13 1jjj h LYS 24 Ca 0.16 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1jjj h LYS 24 Cb -0.00 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1jjj h LYS 24 CO -0.04 -0.17 0.35 1.49 -0.57 0.00 0.00 179.45 180.51 1jjj h GLU 25 N -0.27 0.68 -0.45 3.15 4.57 -1.22 -2.83 114.58 118.20 1jjj h GLU 25 Ca -0.00 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.23 1jjj h GLU 25 Cb 0.25 -0.15 -0.09 0.00 -0.16 0.00 0.00 28.75 28.60 1jjj h GLU 25 CO -0.02 0.45 -0.15 -0.07 -1.18 0.00 0.00 179.01 178.04 1jjj h LEU 26 N 0.70 -0.53 0.00 1.64 3.38 -1.22 -3.48 115.31 115.79 1jjj h LEU 26 Ca 0.22 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1jjj h LEU 26 Cb -0.01 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1jjj h LEU 26 CO -0.08 -0.18 0.00 0.61 0.09 0.00 0.00 178.44 178.88 1jjj n GLY 27 N -1.36 0.83 3.90 0.83 0.00 -0.39 -5.08 105.19 103.92 1jjj n GLY 27 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.44 5.39 0.00 1.61 1.01 -0.32 -5.03 120.40 122.62 1jjj s VAL 28 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1jjj s VAL 28 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1jjj s VAL 28 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1jjj n GLY 29 N 1.04 -1.56 1.00 4.51 0.00 -1.26 -4.75 105.19 104.17 1jjj n GLY 29 Ca -0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.61 1jjj n GLY 29 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jjj n ILE 30 N 0.00 1.12 -0.35 -0.61 -5.35 -1.26 -4.50 119.36 108.42 1jjj n ILE 30 Ca 0.00 0.36 -0.03 0.00 -0.27 0.00 0.00 62.75 62.81 1jjj n ILE 30 Cb 0.00 -1.56 0.10 0.00 -1.74 0.00 0.00 39.64 36.43 1jjj n ILE 30 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jjj h ALA 31 N -0.05 1.18 -0.27 -1.28 0.00 -1.99 -1.63 119.26 115.22 1jjj h ALA 31 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1jjj h ALA 31 Cb 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1jjj h ALA 31 CO 0.00 0.59 -0.21 -0.07 0.00 0.00 0.00 179.25 179.55 1jjj h LEU 32 N 1.26 0.49 -0.21 0.00 3.38 -1.98 -0.50 115.31 117.76 1jjj h LEU 32 Ca 0.34 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1jjj h LEU 32 Cb -0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1jjj h LEU 32 CO -0.07 0.72 0.07 0.03 0.09 0.00 0.00 178.44 179.27 1jjj h ARG 33 N 0.45 0.32 -0.31 1.13 3.08 -1.76 -1.67 114.38 115.61 1jjj h ARG 33 Ca 0.07 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1jjj h ARG 33 Cb 0.62 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 1jjj h ARG 33 CO 0.04 0.41 -0.11 -0.22 -1.07 0.00 0.00 179.97 179.02 1jjj h LYS 34 N 0.17 -0.05 -0.04 0.04 3.64 -1.24 -1.33 116.57 117.76 1jjj h LYS 34 Ca 0.07 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1jjj h LYS 34 Cb 0.22 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1jjj h LYS 34 CO -0.00 -0.03 -0.00 0.00 -2.27 0.00 0.00 179.45 177.14 1jjj h MET 35 N -0.05 0.01 -0.87 1.90 -0.00 -1.15 -2.73 114.93 112.04 1jjj h MET 35 Ca 0.15 -0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.87 1jjj h MET 35 Cb 0.28 -0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.83 1jjj h MET 35 CO -0.34 0.01 0.57 0.78 -0.00 0.00 0.00 176.91 177.92 1jjj h GLY 36 N 0.01 1.24 0.87 -3.00 0.00 -1.25 -1.79 103.07 99.16 1jjj h GLY 36 Ca 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1jjj h GLY 36 CO -0.03 0.41 0.06 0.00 0.00 0.00 0.00 176.54 176.98 1jjj h ALA 37 N 1.34 0.34 0.02 3.60 0.00 -1.31 -3.36 119.26 119.89 1jjj h ALA 37 Ca 0.33 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 1jjj h ALA 37 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1jjj h ALA 37 CO -0.09 0.01 -0.94 0.00 0.00 0.00 0.00 179.25 178.23 1jjj h MET 38 N 0.25 0.16 -7.01 0.00 3.00 -1.46 -3.48 114.93 106.39 1jjj h MET 38 Ca 0.08 -0.20 -0.54 0.00 0.00 0.00 0.00 59.70 59.04 1jjj h MET 38 Cb 0.30 0.06 0.12 0.00 0.00 0.00 0.00 31.60 32.08 1jjj h MET 38 CO 0.00 0.98 0.62 0.00 0.00 0.00 0.00 176.91 178.51 1jjj s ALA 39 N -3.06 3.01 -0.75 -3.00 0.00 -0.68 -5.04 121.76 112.25 1jjj s ALA 39 Ca -0.02 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.21 1jjj s ALA 39 Cb 0.10 -3.54 0.19 0.00 0.00 0.00 0.00 23.12 19.87 1jjj s ALA 39 CO 0.83 -1.16 0.60 0.15 0.00 0.00 0.00 175.76 176.18 1jjj s LYS 40 N -2.67 2.92 0.36 0.00 3.01 -1.26 -5.00 119.74 117.10 1jjj s LYS 40 Ca 0.66 -2.83 -0.26 0.00 -1.01 0.00 0.00 55.97 52.52 1jjj s LYS 40 Cb -0.39 -3.87 -0.09 0.00 -1.01 0.00 0.00 37.83 32.47 1jjj s LYS 40 CO 0.48 -1.22 1.10 -1.25 0.51 0.00 0.00 175.35 174.97 1jjj s PRO 41 N -0.57 4.31 -0.62 -1.68 0.04 -1.26 -4.67 135.00 130.55 1jjj s PRO 41 Ca 0.21 1.70 -0.21 0.00 0.04 0.00 0.00 61.00 62.74 1jjj s PRO 41 Cb -0.14 -2.81 0.08 0.00 0.04 0.00 0.00 34.50 31.67 1jjj s PRO 41 CO -0.07 -0.05 0.85 -0.51 0.04 0.00 0.00 177.00 177.25 1jjj s ASP 42 N -1.21 6.18 -0.84 6.66 1.11 0.06 -1.60 116.67 127.04 1jjj s ASP 42 Ca 0.53 -1.14 -0.24 0.00 0.18 0.00 0.00 52.55 51.88 1jjj s ASP 42 Cb -0.28 -2.37 0.05 0.00 1.07 0.00 0.00 42.92 41.40 1jjj s ASP 42 CO 0.35 -1.28 1.28 0.00 1.18 0.00 0.00 175.17 176.70 1jjj s ILE 44 N 5.02 4.61 -0.11 0.00 1.01 0.44 -2.00 121.20 130.16 1jjj s ILE 44 Ca 0.37 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 1jjj s ILE 44 Cb -0.06 -4.52 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 1jjj s ILE 44 CO 0.04 -1.17 0.35 -0.63 0.00 0.00 0.00 174.94 173.53 1jjj s ILE 45 N 3.30 5.22 -0.15 2.92 1.01 -0.31 -1.50 121.20 131.71 1jjj s ILE 45 Ca 0.18 0.69 -0.07 0.00 0.00 0.00 0.00 60.65 61.45 1jjj s ILE 45 Cb -0.19 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.66 1jjj s ILE 45 CO 0.10 0.44 0.33 -0.89 0.00 0.00 0.00 174.94 174.92 1jjj s THR 46 N 0.01 -0.22 -0.37 2.92 2.01 -0.49 -0.62 115.64 118.88 1jjj s THR 46 Ca 0.20 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.25 1jjj s THR 46 Cb -0.14 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 71.87 1jjj s THR 46 CO 0.08 0.07 0.22 0.00 -0.69 0.00 0.00 174.62 174.29 1jjj n ASP 48 N 5.03 5.00 0.00 0.00 2.03 -0.09 -4.93 116.55 123.60 1jjj n ASP 48 Ca -0.12 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.20 1jjj n ASP 48 Cb 0.47 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 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 3.90 0.88 0.09 0.27 0.00 -1.26 -0.75 105.19 108.33 1jjj n GLY 49 Ca 0.41 0.45 -0.00 0.00 0.00 0.00 0.00 46.02 46.88 1jjj n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jjj h LYS 50 N 0.00 0.00 -5.38 1.61 1.57 -1.95 -3.48 116.57 108.94 1jjj h LYS 50 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1jjj h LYS 50 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 1jjj h LYS 50 CO 0.00 0.30 0.52 -0.80 -0.57 0.00 0.00 179.45 178.90 1jjj s ASN 51 N -5.80 6.18 -0.42 0.86 0.01 0.07 -1.09 114.94 114.75 1jjj s ASN 51 Ca -0.03 -1.04 -0.19 0.00 -0.71 0.00 0.00 52.86 50.90 1jjj s ASN 51 Cb 0.09 -2.41 0.02 0.00 0.41 0.00 0.00 41.25 39.35 1jjj s ASN 51 CO 0.81 -1.42 0.53 -0.22 -1.51 0.00 0.00 177.10 175.29 1jjj s LEU 52 N 3.95 4.64 -0.30 0.60 2.96 0.32 -0.91 118.68 129.93 1jjj s LEU 52 Ca 0.22 -0.44 -0.21 0.00 -0.22 0.00 0.00 54.13 53.48 1jjj s LEU 52 Cb -0.17 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 1jjj s LEU 52 CO 0.10 -0.64 0.66 -0.89 -1.32 0.00 0.00 176.35 174.25 1jjj s THR 53 N 2.44 4.91 -0.40 3.68 2.01 -0.09 -1.25 115.64 126.95 1jjj s THR 53 Ca 0.17 0.92 -0.04 0.00 0.31 0.00 0.00 61.69 63.05 1jjj s THR 53 Cb -0.16 -4.02 0.10 0.00 0.01 0.00 0.00 72.50 68.43 1jjj s THR 53 CO 0.16 -0.16 0.20 -0.63 -0.69 0.00 0.00 174.62 173.50 1jjj s ILE 54 N 2.67 3.46 -0.35 1.82 1.01 0.13 -1.39 121.20 128.55 1jjj s ILE 54 Ca 0.26 -1.84 -0.18 0.00 0.00 0.00 0.00 60.65 58.90 1jjj s ILE 54 Cb -0.15 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 1jjj s ILE 54 CO 0.12 -0.59 0.49 -0.75 0.00 0.00 0.00 174.94 174.21 1jjj s LYS 55 N 1.22 3.61 -0.89 2.79 2.20 -0.56 -1.87 119.74 126.23 1jjj s LYS 55 Ca 0.05 -0.20 -0.15 0.00 -0.36 0.00 0.00 55.97 55.32 1jjj s LYS 55 Cb -0.23 -3.81 0.20 0.00 -1.51 0.00 0.00 37.83 32.49 1jjj s LYS 55 CO -0.03 -0.62 0.91 0.99 -0.36 0.00 0.00 175.35 176.24 1jjj s THR 56 N 2.33 5.44 -0.11 3.43 2.01 0.20 -0.42 115.64 128.53 1jjj s THR 56 Ca 0.18 -2.38 -0.29 0.00 0.31 0.00 0.00 61.69 59.51 1jjj s THR 56 Cb -0.16 -4.57 -0.01 0.00 0.01 0.00 0.00 72.50 67.77 1jjj s THR 56 CO 0.13 -1.17 0.96 -1.61 -0.69 0.00 0.00 174.62 172.24 1jjj s GLU 57 N 0.62 4.41 0.03 4.92 2.02 -0.38 -2.49 118.70 127.83 1jjj s GLU 57 Ca 0.23 1.31 -0.21 0.00 0.02 0.00 0.00 54.97 56.32 1jjj s GLU 57 Cb -0.09 -3.54 0.05 0.00 0.10 0.00 0.00 34.13 30.65 1jjj s GLU 57 CO -0.09 -0.29 0.49 0.45 0.02 0.00 0.00 175.26 175.84 1jjj s SER 58 N 1.09 -0.40 0.21 -0.19 0.15 -0.83 -0.76 113.70 112.97 1jjj s SER 58 Ca 0.46 0.18 -0.09 0.00 0.70 0.00 0.00 55.95 57.20 1jjj s SER 58 Cb -0.18 0.46 0.21 0.00 -1.71 0.00 0.00 66.02 64.80 1jjj s SER 58 CO 0.17 -0.67 1.84 0.71 1.20 0.00 0.00 173.24 176.49 1jjj h THR 59 N 2.97 1.05 -0.06 6.45 1.35 -1.97 -3.07 112.91 119.63 1jjj h THR 59 Ca -0.30 -0.28 -0.14 0.00 -0.55 0.00 0.00 66.41 65.14 1jjj h THR 59 Cb 1.20 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1jjj h THR 59 CO 0.41 0.15 -0.59 -0.07 -0.25 0.00 0.00 175.52 175.17 1jjj h LEU 60 N 0.81 0.24 -7.15 3.87 3.38 -1.97 -3.45 115.31 111.04 1jjj h LEU 60 Ca 0.29 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1jjj h LEU 60 Cb 0.08 -0.07 -0.27 0.00 0.09 0.00 0.00 40.66 40.49 1jjj h LEU 60 CO -0.13 0.78 -0.35 -0.75 0.09 0.00 0.00 178.44 178.07 1jjj s LYS 61 N -3.77 0.34 -0.15 1.13 2.36 -1.16 -5.08 119.74 113.41 1jjj s LYS 61 Ca -0.04 0.95 0.02 0.00 -2.55 0.00 0.00 55.97 54.35 1jjj s LYS 61 Cb 0.12 0.21 0.01 0.00 -1.05 0.00 0.00 37.83 37.12 1jjj s LYS 61 CO 0.79 -0.22 -0.20 0.99 1.55 0.00 0.00 175.35 178.26 1jjj s THR 62 N 2.23 2.20 0.19 3.43 2.01 -1.21 -1.97 115.64 122.53 1jjj s THR 62 Ca -0.04 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 1jjj s THR 62 Cb -0.11 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 1jjj s THR 62 CO -0.13 0.54 0.28 0.28 -0.69 0.00 0.00 174.62 174.90 1jjj s THR 63 N 0.86 0.03 -0.04 -0.82 -1.32 -1.04 -4.99 115.64 108.33 1jjj s THR 63 Ca -0.06 -1.59 -0.03 0.00 -1.21 0.00 0.00 61.69 58.80 1jjj s THR 63 Cb -0.15 -2.12 0.01 0.00 -1.51 0.00 0.00 72.50 68.72 1jjj s THR 63 CO -0.02 -0.16 0.09 -1.58 -2.21 0.00 0.00 174.62 170.74 1jjj s GLN 64 N -4.04 0.12 0.08 7.08 0.74 -1.26 -0.62 119.66 121.76 1jjj s GLN 64 Ca 0.25 0.12 0.02 0.00 0.05 0.00 0.00 55.36 55.80 1jjj s GLN 64 Cb 0.04 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 34.17 1jjj s GLN 64 CO 0.06 -0.01 -0.08 -0.59 -0.55 0.00 0.00 175.29 174.12 1jjj s PHE 65 N 0.03 0.87 -0.19 1.67 -0.12 -0.78 -5.01 117.98 114.44 1jjj s PHE 65 Ca -0.00 -0.75 -0.01 0.00 -0.05 0.00 0.00 56.93 56.13 1jjj s PHE 65 Cb -0.01 -0.50 0.05 0.00 -0.63 0.00 0.00 43.02 41.93 1jjj s PHE 65 CO 0.00 -0.10 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.49 1jjj s SER 66 N -2.52 3.14 -0.10 1.98 1.04 -1.26 -0.70 113.70 115.28 1jjj s SER 66 Ca 0.04 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.66 1jjj s SER 66 Cb -0.01 -0.94 -0.01 0.00 0.10 0.00 0.00 66.02 65.16 1jjj s SER 66 CO -0.02 -0.22 -0.17 0.00 0.98 0.00 0.00 173.24 173.81 1jjj s THR 68 N 0.08 4.64 0.17 0.00 2.01 -1.26 -0.52 115.64 120.76 1jjj s THR 68 Ca -0.07 1.58 -0.32 0.00 0.31 0.00 0.00 61.69 63.19 1jjj s THR 68 Cb -0.15 -4.30 -0.11 0.00 0.01 0.00 0.00 72.50 67.95 1jjj s THR 68 CO 0.05 -0.34 1.78 0.18 -0.69 0.00 0.00 174.62 175.60 1jjj n LEU 69 N 6.53 4.01 0.00 4.42 4.32 -0.25 -1.86 117.00 134.17 1jjj n LEU 69 Ca 0.09 1.02 0.00 0.00 -0.02 0.00 0.00 56.01 57.10 1jjj n LEU 69 Cb 0.47 -1.56 0.00 0.00 -1.62 0.00 0.00 43.42 40.71 1jjj n LEU 69 CO 0.55 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.50 1jjj n GLY 70 N 4.10 2.99 3.99 -0.72 0.00 0.40 -4.99 105.19 110.95 1jjj n GLY 70 Ca 0.17 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 3.07 0.19 1.61 8.01 -0.78 -4.69 118.70 126.11 1jjj s GLU 71 Ca 0.00 -0.94 -0.27 0.00 0.01 0.00 0.00 54.97 53.77 1jjj s GLU 71 Cb 0.00 -2.76 -0.08 0.00 -4.31 0.00 0.00 34.13 26.97 1jjj s GLU 71 CO 0.00 -0.04 0.84 0.15 0.01 0.00 0.00 175.26 176.22 1jjj s LYS 72 N -4.27 4.68 0.19 1.61 1.02 -1.26 -2.70 119.74 119.00 1jjj s LYS 72 Ca 0.47 1.28 0.04 0.00 0.02 0.00 0.00 55.97 57.78 1jjj s LYS 72 Cb -0.10 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 1jjj s LYS 72 CO 0.33 0.55 -0.06 -0.59 -0.92 0.00 0.00 175.35 174.66 1jjj s PHE 73 N -1.13 1.42 -0.42 3.18 -0.71 -0.91 -4.88 117.98 114.52 1jjj s PHE 73 Ca 0.38 -0.83 -0.29 0.00 -1.04 0.00 0.00 56.93 55.15 1jjj s PHE 73 Cb -0.24 -0.77 0.02 0.00 -1.21 0.00 0.00 43.02 40.82 1jjj s PHE 73 CO 0.28 0.03 1.15 -2.00 -1.34 0.00 0.00 175.22 173.35 1jjj s GLU 74 N -3.80 3.81 -0.63 1.99 -6.30 -1.26 -0.65 118.70 111.87 1jjj s GLU 74 Ca 0.22 0.76 -0.12 0.00 -2.50 0.00 0.00 54.97 53.34 1jjj s GLU 74 Cb 0.04 -3.87 0.16 0.00 0.00 0.00 0.00 34.13 30.46 1jjj s GLU 74 CO 0.05 -1.26 0.54 -2.00 0.02 0.00 0.00 175.26 172.61 1jjj s GLU 75 N 4.27 2.99 -0.52 4.30 2.12 -0.36 -4.91 118.70 126.58 1jjj s GLU 75 Ca 0.49 -2.10 -0.28 0.00 0.36 0.00 0.00 54.97 53.44 1jjj s GLU 75 Cb -0.09 -4.16 -0.00 0.00 0.26 0.00 0.00 34.13 30.14 1jjj s GLU 75 CO 0.27 -1.26 1.63 0.99 -0.54 0.00 0.00 175.26 176.36 1jjj s THR 76 N 0.81 3.59 0.31 -1.70 2.01 -1.26 -1.12 115.64 118.29 1jjj s THR 76 Ca 0.11 0.50 -0.28 0.00 0.31 0.00 0.00 61.69 62.32 1jjj s THR 76 Cb -0.21 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.10 1jjj s THR 76 CO -0.03 -0.91 1.12 0.42 -0.69 0.00 0.00 174.62 174.52 1jjj s THR 77 N 7.13 3.42 0.54 -0.82 -4.23 -0.52 -4.98 115.64 116.19 1jjj s THR 77 Ca 0.63 1.36 0.29 0.00 -1.18 0.00 0.00 61.69 62.79 1jjj s THR 77 Cb -0.14 -3.84 0.43 0.00 1.34 0.00 0.00 72.50 70.30 1jjj s THR 77 CO 0.26 0.27 1.94 0.00 -0.54 0.00 0.00 174.62 176.55 1jjj h ALA 78 N 3.49 2.61 0.00 3.99 0.00 -1.95 -0.85 119.26 126.55 1jjj h ALA 78 Ca -0.47 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1jjj h ALA 78 Cb 1.22 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1jjj h ALA 78 CO 0.66 -0.86 -0.70 0.22 0.00 0.00 0.00 179.25 178.57 1jjj h ASP 79 N 0.00 0.00 0.00 0.00 3.58 -1.99 -3.49 116.42 114.52 1jjj h ASP 79 Ca 0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1jjj h ASP 79 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1jjj h ASP 79 CO -0.00 0.70 0.00 0.61 -2.88 0.00 0.00 179.24 177.66 1jjj n GLY 80 N 0.73 0.94 3.70 -0.78 0.00 -0.32 -5.06 105.19 104.40 1jjj n GLY 80 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.30 -0.48 1.61 0.52 -1.26 -4.73 118.95 118.91 1jjj s ARG 81 Ca 0.00 1.98 -0.19 0.00 -0.52 0.00 0.00 55.73 57.01 1jjj s ARG 81 Cb 0.00 -3.49 0.05 0.00 0.52 0.00 0.00 34.95 32.03 1jjj s ARG 81 CO 0.00 -0.53 0.57 0.15 0.02 0.00 0.00 175.30 175.52 1jjj s LYS 82 N 2.03 3.12 -0.24 3.54 1.02 -1.26 -1.43 119.74 126.52 1jjj s LYS 82 Ca 0.64 -0.85 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 1jjj s LYS 82 Cb -0.33 -4.06 -0.04 0.00 -0.52 0.00 0.00 37.83 32.89 1jjj s LYS 82 CO 0.28 -1.12 0.09 0.95 -0.92 0.00 0.00 175.35 174.63 1jjj s THR 83 N 2.48 4.59 -0.75 2.17 -4.23 -0.27 -4.83 115.64 114.79 1jjj s THR 83 Ca 0.14 -0.08 -0.26 0.00 -1.18 0.00 0.00 61.69 60.31 1jjj s THR 83 Cb -0.19 -3.13 0.02 0.00 1.34 0.00 0.00 72.50 70.54 1jjj s THR 83 CO 0.12 0.35 1.45 -1.10 -0.54 0.00 0.00 174.62 174.90 1jjj s GLN 84 N 1.37 3.09 -0.33 3.99 1.11 -0.86 -1.23 119.66 126.80 1jjj s GLN 84 Ca 0.06 -0.16 -0.05 0.00 0.01 0.00 0.00 55.36 55.22 1jjj s GLN 84 Cb -0.15 -4.39 0.05 0.00 -1.01 0.00 0.00 33.01 27.51 1jjj s GLN 84 CO 0.04 -2.33 0.07 0.99 0.01 0.00 0.00 175.29 174.07 1jjj s THR 85 N 6.54 3.46 -0.41 -0.19 2.01 0.18 -2.14 115.64 125.09 1jjj s THR 85 Ca 0.44 -1.25 -0.23 0.00 0.31 0.00 0.00 61.69 60.96 1jjj s THR 85 Cb -0.08 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.46 1jjj s THR 85 CO 0.13 -0.17 0.77 0.54 -0.69 0.00 0.00 174.62 175.20 1jjj s VAL 86 N 1.34 4.70 -0.43 3.82 0.11 -0.51 -2.14 120.40 127.30 1jjj s VAL 86 Ca -0.03 0.59 -0.10 0.00 -2.93 0.00 0.00 61.98 59.51 1jjj s VAL 86 Cb -0.20 -4.26 0.07 0.00 -1.53 0.00 0.00 36.38 30.47 1jjj s VAL 86 CO 0.01 -0.58 0.28 0.00 -3.33 0.00 0.00 175.10 171.48 1jjj s ASN 88 N 2.18 3.20 -0.12 0.00 2.20 -0.59 -0.45 114.94 121.36 1jjj s ASN 88 Ca 0.03 -0.58 -0.18 0.00 -0.94 0.00 0.00 52.86 51.19 1jjj s ASN 88 Cb -0.23 -1.46 -0.04 0.00 -2.00 0.00 0.00 41.25 37.51 1jjj s ASN 88 CO 0.03 0.08 0.48 0.12 -2.94 0.00 0.00 177.10 174.87 1jjj s PHE 89 N 0.81 3.51 -0.08 1.54 5.36 -1.26 -0.84 117.98 127.02 1jjj s PHE 89 Ca -0.07 0.89 -0.06 0.00 -0.96 0.00 0.00 56.93 56.73 1jjj s PHE 89 Cb -0.16 -2.55 0.03 0.00 -0.34 0.00 0.00 43.02 40.00 1jjj s PHE 89 CO -0.01 0.17 0.21 -0.08 -1.46 0.00 0.00 175.22 174.04 1jjj s THR 90 N 0.61 -0.01 -1.43 0.12 -1.32 -0.37 -5.01 115.64 108.23 1jjj s THR 90 Ca 0.26 0.05 -0.04 0.00 -1.21 0.00 0.00 61.69 60.76 1jjj s THR 90 Cb -0.15 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 1jjj s THR 90 CO 0.10 0.02 0.48 0.47 -2.21 0.00 0.00 174.62 173.48 1jjj n ASP 91 N 3.39 -5.65 -0.22 8.08 8.00 -1.26 -1.12 116.55 127.76 1jjj n ASP 91 Ca -0.17 -0.23 -0.03 0.00 0.71 0.00 0.00 54.79 55.07 1jjj n ASP 91 Cb 0.57 -4.51 -0.01 0.00 -0.02 0.00 0.00 41.12 37.15 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 -1.40 0.61 2.78 0.44 0.00 -1.26 -4.93 105.19 101.43 1jjj n GLY 92 Ca -0.12 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.01 0.43 -0.41 4.61 0.00 -0.28 -3.10 121.76 121.01 1jjj s ALA 93 Ca 0.00 0.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 1jjj s ALA 93 Cb 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1jjj s ALA 93 CO 0.00 -0.26 0.40 -1.17 0.00 0.00 0.00 175.76 174.73 1jjj s LEU 94 N 1.50 4.87 -0.56 0.00 2.96 -0.33 -1.23 118.68 125.88 1jjj s LEU 94 Ca -0.03 -0.67 -0.22 0.00 -0.22 0.00 0.00 54.13 52.98 1jjj s LEU 94 Cb -0.13 -2.33 0.05 0.00 0.50 0.00 0.00 46.19 44.28 1jjj s LEU 94 CO -0.03 -0.53 0.84 -0.69 -1.32 0.00 0.00 176.35 174.63 1jjj s VAL 95 N 2.03 4.54 -0.76 1.68 1.01 -0.02 -1.01 120.40 127.87 1jjj s VAL 95 Ca 0.11 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 1jjj s VAL 95 Cb -0.17 -4.49 0.07 0.00 0.00 0.00 0.00 36.38 31.79 1jjj s VAL 95 CO 0.13 -1.08 1.10 -1.58 0.00 0.00 0.00 175.10 173.66 1jjj s GLN 96 N 3.53 3.26 -0.69 2.72 0.74 -0.25 -1.54 119.66 127.43 1jjj s GLN 96 Ca 0.24 -0.94 -0.19 0.00 0.05 0.00 0.00 55.36 54.51 1jjj s GLN 96 Cb -0.16 -4.47 0.11 0.00 1.10 0.00 0.00 33.01 29.60 1jjj s GLN 96 CO 0.15 -1.90 0.85 -1.58 -0.55 0.00 0.00 175.29 172.26 1jjj s HIS 97 N 4.18 3.01 0.06 1.67 5.65 -0.49 -1.21 115.29 128.14 1jjj s HIS 97 Ca 0.29 -1.04 -0.31 0.00 0.25 0.00 0.00 55.06 54.25 1jjj s HIS 97 Cb -0.11 -4.12 -0.07 0.00 -1.18 0.00 0.00 32.58 27.10 1jjj s HIS 97 CO 0.05 -1.39 1.39 -0.65 -0.65 0.00 0.00 174.74 173.49 1jjj s GLN 98 N 2.79 4.31 -0.17 2.88 -0.21 0.22 -1.42 119.66 128.05 1jjj s GLN 98 Ca 0.18 2.01 -0.03 0.00 0.02 0.00 0.00 55.36 57.55 1jjj s GLN 98 Cb -0.18 -3.42 0.05 0.00 1.00 0.00 0.00 33.01 30.47 1jjj s GLN 98 CO 0.03 -0.50 0.04 -2.00 -2.12 0.00 0.00 175.29 170.74 1jjj s GLU 99 N 1.76 0.57 -0.20 2.91 2.12 -0.91 -1.24 118.70 123.70 1jjj s GLU 99 Ca 0.64 -0.29 -0.06 0.00 0.36 0.00 0.00 54.97 55.63 1jjj s GLU 99 Cb -0.34 -1.88 0.10 0.00 0.26 0.00 0.00 34.13 32.27 1jjj s GLU 99 CO 0.29 -0.58 0.41 1.67 -0.54 0.00 0.00 175.26 176.50 1jjj s TRP 100 N 1.91 -0.80 -1.36 5.30 -2.14 -0.40 -2.03 118.94 119.42 1jjj s TRP 100 Ca 0.00 1.40 -0.18 0.00 2.66 0.00 0.00 56.10 59.98 1jjj s TRP 100 Cb -0.16 0.25 0.03 0.00 -3.10 0.00 0.00 33.47 30.48 1jjj s TRP 100 CO -0.08 -0.52 0.35 -3.47 -2.66 0.00 0.00 176.95 170.57 1jjj n ASP 101 N 5.39 -1.63 0.00 -2.66 2.03 -1.26 -1.53 116.55 116.89 1jjj n ASP 101 Ca -0.08 -1.29 0.00 0.00 0.52 0.00 0.00 54.79 53.95 1jjj n ASP 101 Cb 0.50 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 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 -2.33 1.75 3.78 0.27 0.00 -1.26 -5.02 105.19 102.38 1jjj n GLY 102 Ca -0.21 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 4.49 -0.06 1.61 1.02 -0.58 -5.09 119.74 121.13 1jjj s LYS 103 Ca 0.00 1.42 -0.17 0.00 0.02 0.00 0.00 55.97 57.24 1jjj s LYS 103 Cb 0.00 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 34.57 1jjj s LYS 103 CO 0.00 0.17 0.39 -1.83 -0.92 0.00 0.00 175.35 173.16 1jjj s GLU 104 N -2.09 0.67 -0.05 1.68 -1.05 -1.26 -1.28 118.70 115.32 1jjj s GLU 104 Ca 0.51 0.09 0.01 0.00 -0.15 0.00 0.00 54.97 55.43 1jjj s GLU 104 Cb -0.21 0.31 0.02 0.00 -0.44 0.00 0.00 34.13 33.81 1jjj s GLU 104 CO 0.26 -0.17 -0.04 0.45 0.95 0.00 0.00 175.26 176.71 1jjj s SER 105 N -0.87 1.17 -0.13 0.83 0.15 -0.37 -3.33 113.70 111.15 1jjj s SER 105 Ca -0.09 -0.14 -0.18 0.00 0.70 0.00 0.00 55.95 56.24 1jjj s SER 105 Cb -0.04 -0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 63.74 1jjj s SER 105 CO 0.04 -0.08 0.46 0.42 1.20 0.00 0.00 173.24 175.28 1jjj s THR 106 N 1.13 5.20 -0.37 6.45 -4.23 -0.70 -0.61 115.64 122.51 1jjj s THR 106 Ca -0.08 0.91 0.03 0.00 -1.18 0.00 0.00 61.69 61.37 1jjj s THR 106 Cb -0.14 -3.80 0.11 0.00 1.34 0.00 0.00 72.50 70.01 1jjj s THR 106 CO -0.01 0.33 0.10 -0.63 -0.54 0.00 0.00 174.62 173.87 1jjj s ILE 107 N 0.64 1.98 -0.61 2.99 1.01 -0.35 -1.25 121.20 125.61 1jjj s ILE 107 Ca 0.25 -2.31 -0.20 0.00 0.00 0.00 0.00 60.65 58.39 1jjj s ILE 107 Cb -0.15 -2.45 0.09 0.00 0.01 0.00 0.00 42.46 39.96 1jjj s ILE 107 CO 0.10 -0.66 0.78 -0.89 0.00 0.00 0.00 174.94 174.26 1jjj s THR 108 N 0.84 4.68 -0.64 2.92 2.01 -0.16 -1.09 115.64 124.19 1jjj s THR 108 Ca 0.12 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 1jjj s THR 108 Cb -0.20 -4.55 0.07 0.00 0.01 0.00 0.00 72.50 67.83 1jjj s THR 108 CO -0.10 -1.23 0.91 -0.13 -0.69 0.00 0.00 174.62 173.39 1jjj s ARG 109 N 3.09 3.11 0.01 4.92 0.52 -0.18 -1.71 118.95 128.72 1jjj s ARG 109 Ca 0.15 -0.88 0.05 0.00 -0.52 0.00 0.00 55.73 54.53 1jjj s ARG 109 Cb -0.22 -4.22 -0.02 0.00 0.52 0.00 0.00 34.95 31.01 1jjj s ARG 109 CO 0.07 -1.74 -0.16 -1.59 0.02 0.00 0.00 175.30 171.90 1jjj s LYS 110 N 3.81 1.20 -0.33 3.54 0.00 -0.73 -1.19 119.74 126.04 1jjj s LYS 110 Ca 0.21 -0.69 -0.27 0.00 0.00 0.00 0.00 55.97 55.21 1jjj s LYS 110 Cb -0.18 -1.20 0.01 0.00 0.00 0.00 0.00 37.83 36.46 1jjj s LYS 110 CO 0.10 0.32 0.98 -1.17 0.00 0.00 0.00 175.35 175.58 1jjj s LEU 111 N -0.75 3.97 0.00 2.77 1.98 -1.18 -1.43 118.68 124.05 1jjj s LEU 111 Ca 0.05 0.84 -0.01 0.00 -2.89 0.00 0.00 54.13 52.12 1jjj s LEU 111 Cb -0.07 -3.37 0.13 0.00 0.66 0.00 0.00 46.19 43.53 1jjj s LEU 111 CO 0.00 -0.83 0.86 1.17 -1.89 0.00 0.00 176.35 175.66 1jjj n LYS 112 N 6.73 -0.06 -0.88 1.98 3.00 0.43 -4.97 118.16 124.38 1jjj n LYS 112 Ca 0.09 -2.25 -0.35 0.00 -0.00 0.00 0.00 58.31 55.79 1jjj n LYS 112 Cb 0.48 -0.60 -0.12 0.00 0.00 0.00 0.00 35.03 34.79 1jjj n LYS 112 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1jjj n ASP 113 N -2.97 1.20 0.00 3.14 5.75 -1.26 -3.58 116.55 118.83 1jjj n ASP 113 Ca 0.14 -2.51 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 1jjj n ASP 113 Cb 0.50 -0.92 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jjj n GLY 114 N 5.34 0.91 3.59 6.12 0.00 -1.26 -5.10 105.19 114.79 1jjj n GLY 114 Ca 0.45 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.69 0.69 -0.35 1.61 2.47 -1.23 -4.81 119.74 115.43 1jjj s LYS 115 Ca 0.00 0.45 -0.21 0.00 -1.56 0.00 0.00 55.97 54.65 1jjj s LYS 115 Cb 0.00 0.33 0.00 0.00 -1.46 0.00 0.00 37.83 36.71 1jjj s LYS 115 CO 0.00 -0.16 0.67 -1.17 0.16 0.00 0.00 175.35 174.85 1jjj s LEU 116 N -0.46 4.21 -0.38 5.43 2.96 0.02 -0.43 118.68 130.03 1jjj s LEU 116 Ca -0.02 0.23 -0.17 0.00 -0.22 0.00 0.00 54.13 53.96 1jjj s LEU 116 Cb -0.03 -2.85 0.00 0.00 0.50 0.00 0.00 46.19 43.82 1jjj s LEU 116 CO 0.01 -0.62 0.44 -0.69 -1.32 0.00 0.00 176.35 174.16 1jjj s VAL 117 N 2.80 5.09 -0.61 1.68 1.01 -0.51 -1.25 120.40 128.60 1jjj s VAL 117 Ca 0.26 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1jjj s VAL 117 Cb -0.14 -3.96 0.16 0.00 0.00 0.00 0.00 36.38 32.44 1jjj s VAL 117 CO 0.15 -0.27 0.50 -0.69 0.00 0.00 0.00 175.10 174.79 1jjj s VAL 118 N 2.18 4.65 -0.63 2.92 1.01 -0.24 -1.77 120.40 128.51 1jjj s VAL 118 Ca 0.14 -2.15 -0.24 0.00 0.00 0.00 0.00 61.98 59.73 1jjj s VAL 118 Cb -0.16 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.28 1jjj s VAL 118 CO 0.13 -0.88 1.02 -1.61 0.00 0.00 0.00 175.10 173.76 1jjj s GLU 119 N 0.81 3.21 -0.24 2.72 2.02 -0.69 -1.28 118.70 125.25 1jjj s GLU 119 Ca 0.11 -0.50 -0.01 0.00 0.02 0.00 0.00 54.97 54.58 1jjj s GLU 119 Cb -0.21 -4.15 0.03 0.00 0.10 0.00 0.00 34.13 29.89 1jjj s GLU 119 CO -0.03 -1.76 -0.07 0.00 0.02 0.00 0.00 175.26 173.42 1jjj s VAL 121 N 1.32 0.85 -0.19 0.00 0.11 -0.38 -0.84 120.40 121.26 1jjj s VAL 121 Ca 0.00 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1jjj s VAL 121 Cb -0.16 -0.76 0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1jjj s VAL 121 CO -0.05 0.27 -0.07 -0.32 -3.33 0.00 0.00 175.10 171.60 1jjj s MET 122 N 0.31 1.63 0.13 1.54 1.75 -0.91 -1.73 119.30 122.03 1jjj s MET 122 Ca -0.05 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 53.69 1jjj s MET 122 Cb -0.10 -2.24 0.00 0.00 2.84 0.00 0.00 34.83 35.33 1jjj s MET 122 CO 0.01 -0.46 0.00 0.09 -0.65 0.00 0.00 175.02 174.00 1jjj n ASN 123 N 4.79 0.00 -0.00 1.11 3.02 -1.21 -1.28 115.26 121.69 1jjj n ASN 123 Ca -0.13 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.43 1jjj n ASN 123 Cb 0.47 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.63 1jjj n ASN 123 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jjj n ASN 124 N 2.35 1.46 -4.45 6.41 3.02 -1.26 -5.09 115.26 117.71 1jjj n ASN 124 Ca 0.00 -0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 53.78 1jjj n ASN 124 Cb 0.00 1.02 -0.11 0.00 -0.61 0.00 0.00 39.78 40.08 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 -1.41 4.91 -0.44 2.41 1.01 -0.40 -5.05 120.40 121.42 1jjj s VAL 125 Ca 0.00 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1jjj s VAL 125 Cb 0.01 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.80 1jjj s VAL 125 CO 0.05 -0.12 0.37 0.42 0.00 0.00 0.00 175.10 175.82 1jjj s THR 126 N 1.64 5.22 0.28 3.92 -4.23 -1.26 -2.14 115.64 119.06 1jjj s THR 126 Ca 0.04 -0.80 -0.09 0.00 -1.18 0.00 0.00 61.69 59.66 1jjj s THR 126 Cb -0.18 -4.05 -0.07 0.00 1.34 0.00 0.00 72.50 69.55 1jjj s THR 126 CO 0.08 -0.46 0.60 0.00 -0.54 0.00 0.00 174.62 174.30 1jjj s THR 128 N -1.99 1.12 -0.28 0.00 2.01 -0.37 -1.58 115.64 114.55 1jjj s THR 128 Ca 0.48 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 61.41 1jjj s THR 128 Cb -0.11 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 1jjj s THR 128 CO 0.25 -0.16 0.14 -0.13 -0.69 0.00 0.00 174.62 174.02 1jjj s ARG 129 N 1.58 3.68 -0.29 4.92 0.52 -0.40 -2.23 118.95 126.72 1jjj s ARG 129 Ca -0.03 -0.49 -0.10 0.00 -0.52 0.00 0.00 55.73 54.59 1jjj s ARG 129 Cb -0.18 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 1jjj s ARG 129 CO -0.07 -0.25 0.15 0.42 0.02 0.00 0.00 175.30 175.57 1jjj s ILE 130 N 1.67 4.85 0.03 1.52 -1.09 -0.28 -1.08 121.20 126.82 1jjj s ILE 130 Ca 0.06 -0.14 0.09 0.00 -2.23 0.00 0.00 60.65 58.44 1jjj s ILE 130 Cb -0.16 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 1jjj s ILE 130 CO 0.07 0.19 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.40 1jjj s TYR 131 N 1.68 2.30 0.03 3.97 1.51 -0.38 -1.35 117.35 125.10 1jjj s TYR 131 Ca 0.06 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 55.78 1jjj s TYR 131 Cb -0.16 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1jjj s TYR 131 CO 0.08 0.09 -0.22 -1.83 -1.11 0.00 0.00 175.55 172.56 1jjj s GLU 132 N -1.12 2.02 -0.40 -0.62 -1.05 -0.13 -0.80 118.70 116.60 1jjj s GLU 132 Ca 0.11 -1.00 -0.29 0.00 -0.15 0.00 0.00 54.97 53.65 1jjj s GLU 132 Cb -0.10 -2.11 0.02 0.00 -0.44 0.00 0.00 34.13 31.51 1jjj s GLU 132 CO 0.01 0.54 1.10 0.21 0.95 0.00 0.00 175.26 178.07 1jjj s LYS 133 N -1.18 3.89 -1.04 -4.83 2.20 -1.26 -0.71 119.74 116.80 1jjj s LYS 133 Ca 0.13 0.79 -0.12 0.00 -0.36 0.00 0.00 55.97 56.41 1jjj s LYS 133 Cb -0.10 -3.82 0.24 0.00 -1.51 0.00 0.00 37.83 32.63 1jjj s LYS 133 CO 0.03 -1.14 1.08 0.08 -0.36 0.00 0.00 175.35 175.03 1jjj s VAL 134 N 4.03 5.68 0.00 4.02 1.01 0.69 -5.01 120.40 130.82 1jjj s VAL 134 Ca 0.46 -2.94 0.00 0.00 0.00 0.00 0.00 61.98 59.50 1jjj s VAL 134 Cb -0.10 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.65 1jjj s VAL 134 CO 0.23 -1.23 0.00 -1.84 0.00 0.00 0.00 175.10 172.26