#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 0.39 -0.97 12.58 3.04 -1.98 -1.76 116.25 127.55 1jjj h VAL 4 Ca 0.00 -0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.77 1jjj h VAL 4 Cb 0.00 1.00 -0.07 0.00 -2.01 0.00 0.00 31.29 30.21 1jjj h VAL 4 CO 0.00 0.00 0.62 -0.61 -1.01 0.00 0.00 177.57 176.57 1jjj h GLN 5 N 0.00 1.01 -0.01 4.17 4.15 -1.96 -2.67 115.11 119.79 1jjj h GLN 5 Ca -0.00 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.24 1jjj h GLN 5 Cb 0.00 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 1jjj h GLN 5 CO 0.00 0.67 -0.55 0.37 -1.93 0.00 0.00 178.83 177.38 1jjj h GLN 6 N 1.04 0.04 0.00 1.69 4.15 -1.80 -2.91 115.11 117.32 1jjj h GLN 6 Ca 0.44 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.83 1jjj h GLN 6 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1jjj h GLN 6 CO -0.19 0.59 0.00 1.28 -1.93 0.00 0.00 178.83 178.57 1jjj n LEU 7 N -3.88 0.03 -4.73 -2.39 4.77 -1.11 -4.94 117.00 104.74 1jjj n LEU 7 Ca -0.01 0.51 -0.40 0.00 -0.03 0.00 0.00 56.01 56.07 1jjj n LEU 7 Cb 0.57 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1jjj n LEU 7 CO 0.42 -0.29 0.47 -0.70 -1.33 0.00 0.00 177.39 175.95 1jjj s GLU 8 N -3.02 4.48 0.00 3.23 -6.30 -1.02 -4.76 118.70 111.31 1jjj s GLU 8 Ca 0.06 1.04 0.00 0.00 -2.50 0.00 0.00 54.97 53.57 1jjj s GLU 8 Cb 0.08 -3.40 0.00 0.00 0.00 0.00 0.00 34.13 30.81 1jjj s GLU 8 CO 0.24 0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.10 1jjj n GLY 9 N 2.70 0.62 3.73 -1.50 0.00 -0.33 -4.98 105.19 105.43 1jjj n GLY 9 Ca -0.01 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.63 4.32 -0.17 1.61 3.52 -1.26 -0.64 118.95 125.69 1jjj s ARG 10 Ca 0.00 0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 56.02 1jjj s ARG 10 Cb 0.00 -3.42 0.05 0.00 -1.56 0.00 0.00 34.95 30.02 1jjj s ARG 10 CO 0.00 0.19 0.03 -1.58 -0.81 0.00 0.00 175.30 173.13 1jjj s TRP 11 N 0.52 0.98 -0.10 5.12 0.52 -0.00 -0.94 118.94 125.03 1jjj s TRP 11 Ca 0.26 -0.73 -0.15 0.00 0.02 0.00 0.00 56.10 55.50 1jjj s TRP 11 Cb -0.15 -0.99 -0.05 0.00 -1.15 0.00 0.00 33.47 31.13 1jjj s TRP 11 CO 0.10 -0.55 0.37 0.50 0.02 0.00 0.00 176.95 177.39 1jjj s ARG 12 N 1.87 4.15 0.23 4.98 3.52 -0.07 -0.54 118.95 133.11 1jjj s ARG 12 Ca 0.00 0.27 -0.31 0.00 -0.13 0.00 0.00 55.73 55.56 1jjj s ARG 12 Cb -0.16 -3.36 -0.12 0.00 -1.56 0.00 0.00 34.95 29.75 1jjj s ARG 12 CO -0.07 0.36 1.69 -1.17 -0.81 0.00 0.00 175.30 175.30 1jjj s LEU 13 N 0.03 4.36 0.20 -0.88 2.96 -1.18 -1.20 118.68 122.98 1jjj s LEU 13 Ca 0.21 2.90 0.00 0.00 -0.22 0.00 0.00 54.13 57.02 1jjj s LEU 13 Cb -0.15 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1jjj s LEU 13 CO 0.08 -0.96 0.00 1.33 -1.32 0.00 0.00 176.35 175.48 1jjj n VAL 14 N 3.49 0.56 -3.48 1.68 0.24 -0.57 -4.75 118.33 115.50 1jjj n VAL 14 Ca 0.14 0.18 -0.43 0.00 -2.04 0.00 0.00 64.34 62.20 1jjj n VAL 14 Cb 0.36 -0.99 -0.09 0.00 -1.47 0.00 0.00 33.84 31.65 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 -5.43 5.96 -0.89 -1.34 -1.08 -1.21 -4.99 116.67 107.68 1jjj s ASP 15 Ca 0.00 -1.27 0.00 0.00 -0.52 0.00 0.00 52.55 50.76 1jjj s ASP 15 Cb 0.00 -2.11 0.29 0.00 -1.46 0.00 0.00 42.92 39.64 1jjj s ASP 15 CO 0.00 -0.56 1.22 -1.54 0.52 0.00 0.00 175.17 174.81 1jjj n SER 16 N 5.10 5.45 -4.71 -0.34 3.41 -1.26 -0.85 113.62 120.42 1jjj n SER 16 Ca -0.12 -3.46 -0.41 0.00 -0.26 0.00 0.00 58.87 54.62 1jjj n SER 16 Cb 0.44 -1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.34 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 -2.82 4.47 0.00 4.33 -2.85 -1.14 -3.46 119.74 118.27 1jjj s LYS 17 Ca 0.36 1.15 0.00 0.00 -1.00 0.00 0.00 55.97 56.48 1jjj s LYS 17 Cb 0.11 -3.47 0.00 0.00 -2.06 0.00 0.00 37.83 32.40 1jjj s LYS 17 CO 0.04 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.85 1jjj n GLY 18 N 3.05 0.87 0.10 0.59 0.00 -1.26 -1.59 105.19 106.95 1jjj n GLY 18 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.11 -1.00 1.61 3.57 -1.92 -2.14 116.94 116.95 1jjj h PHE 19 Ca 0.00 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.62 1jjj h PHE 19 Cb 0.00 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.69 1jjj h PHE 19 CO 0.00 0.36 0.63 0.22 -2.23 0.00 0.00 178.31 177.29 1jjj h ASP 20 N -0.66 0.91 -0.38 0.41 3.58 -1.95 -1.37 116.42 116.96 1jjj h ASP 20 Ca -0.01 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.54 1jjj h ASP 20 Cb 0.53 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 1jjj h ASP 20 CO 0.02 0.47 0.11 -0.33 -2.88 0.00 0.00 179.24 176.63 1jjj h GLU 21 N 0.97 0.25 0.02 0.28 5.08 -2.00 -1.49 114.58 117.68 1jjj h GLU 21 Ca 0.50 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.86 1jjj h GLU 21 Cb 0.53 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1jjj h GLU 21 CO -0.27 0.16 -0.07 -0.92 -1.00 0.00 0.00 179.01 176.91 1jjj h TYR 22 N 0.25 -0.17 0.00 4.33 3.20 -0.82 -1.72 116.97 122.04 1jjj h TYR 22 Ca 0.18 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1jjj h TYR 22 Cb 0.18 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1jjj h TYR 22 CO -0.17 -0.11 -0.10 0.00 -1.64 0.00 0.00 178.16 176.15 1jjj h MET 23 N -0.13 0.00 0.19 1.82 -0.00 -1.30 0.10 114.93 115.61 1jjj h MET 23 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.71 1jjj h MET 23 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.75 1jjj h MET 23 CO -0.06 0.10 -0.09 0.87 -0.00 0.00 0.00 176.91 177.73 1jjj h LYS 24 N 0.00 -0.25 -0.63 -0.10 1.57 -1.18 -2.05 116.57 113.94 1jjj h LYS 24 Ca -0.00 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1jjj h LYS 24 Cb 0.34 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1jjj h LYS 24 CO 0.01 -0.16 0.40 1.49 -0.57 0.00 0.00 179.45 180.62 1jjj h GLU 25 N -0.26 0.77 -0.61 3.15 4.81 -0.73 -3.21 114.58 118.51 1jjj h GLU 25 Ca -0.03 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1jjj h GLU 25 Cb 0.20 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1jjj h GLU 25 CO 0.04 0.51 0.34 -0.07 -0.73 0.00 0.00 179.01 179.10 1jjj h LEU 26 N 0.80 0.51 0.00 1.64 3.38 -0.92 -3.48 115.31 117.23 1jjj h LEU 26 Ca 0.24 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1jjj h LEU 26 Cb -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1jjj h LEU 26 CO -0.08 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1jjj n GLY 27 N -1.27 0.52 3.00 0.83 0.00 -1.00 -5.09 105.19 102.18 1jjj n GLY 27 Ca 0.07 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.42 1.15 0.86 1.61 1.01 -0.81 -5.05 120.40 118.76 1jjj s VAL 28 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1jjj s VAL 28 Cb 0.00 -1.08 0.11 0.00 0.00 0.00 0.00 36.38 35.41 1jjj s VAL 28 CO 0.00 0.37 1.09 -0.83 0.00 0.00 0.00 175.10 175.73 1jjj s GLY 29 N 0.90 1.62 0.18 4.51 0.00 -1.26 -4.67 107.32 108.60 1jjj s GLY 29 Ca -0.10 -0.11 -0.14 0.00 0.00 0.00 0.00 44.72 44.37 1jjj s GLY 29 CO 0.01 0.36 1.71 -2.22 0.00 0.00 0.00 173.10 172.96 1jjj h ILE 30 N -1.39 0.73 -0.28 0.90 5.03 -2.01 -1.49 117.51 119.00 1jjj h ILE 30 Ca -0.49 -0.07 0.03 0.00 -0.12 0.00 0.00 64.86 64.22 1jjj h ILE 30 Cb 1.28 0.52 -0.03 0.00 -3.03 0.00 0.00 36.82 35.56 1jjj h ILE 30 CO 0.56 0.03 0.10 0.00 -0.68 0.00 0.00 178.15 178.17 1jjj h ALA 31 N 1.36 0.32 -0.65 1.87 0.00 -1.99 -0.32 119.26 119.86 1jjj h ALA 31 Ca 0.22 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1jjj h ALA 31 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1jjj h ALA 31 CO -0.32 -0.30 0.18 -0.07 0.00 0.00 0.00 179.25 178.74 1jjj h LEU 32 N 0.23 0.94 -0.15 0.00 3.38 -1.89 -1.03 115.31 116.79 1jjj h LEU 32 Ca 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1jjj h LEU 32 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1jjj h LEU 32 CO -0.12 0.90 0.07 0.03 0.09 0.00 0.00 178.44 179.41 1jjj h ARG 33 N 0.96 0.22 -0.84 1.13 3.08 -1.20 0.49 114.38 118.22 1jjj h ARG 33 Ca 0.21 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.30 1jjj h ARG 33 Cb 0.31 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.26 1jjj h ARG 33 CO -0.00 0.29 0.51 -0.22 -1.07 0.00 0.00 179.97 179.47 1jjj h LYS 34 N 0.11 0.88 0.84 0.04 1.63 -1.06 -1.13 116.57 117.88 1jjj h LYS 34 Ca 0.05 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1jjj h LYS 34 Cb 0.14 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1jjj h LYS 34 CO -0.01 0.58 -0.47 1.98 -3.45 0.00 0.00 179.45 178.08 1jjj h MET 35 N 0.90 -1.17 -0.97 1.90 4.05 -1.18 -3.26 114.93 115.19 1jjj h MET 35 Ca 0.38 0.08 0.09 0.00 -0.28 0.00 0.00 59.70 59.98 1jjj h MET 35 Cb 0.24 0.27 -0.07 0.00 -0.80 0.00 0.00 31.60 31.23 1jjj h MET 35 CO -0.20 -0.78 0.62 0.78 0.23 0.00 0.00 176.91 177.56 1jjj h GLY 36 N -1.22 1.50 1.30 1.39 0.00 -0.79 0.34 103.07 105.59 1jjj h GLY 36 Ca -0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1jjj h GLY 36 CO 0.14 0.24 0.21 0.00 0.00 0.00 0.00 176.54 177.13 1jjj h ALA 37 N 1.52 1.24 0.00 3.60 0.00 -1.35 -3.24 119.26 121.02 1jjj h ALA 37 Ca 0.45 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.96 1jjj h ALA 37 Cb 0.35 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1jjj h ALA 37 CO -0.21 0.54 -1.21 0.00 0.00 0.00 0.00 179.25 178.38 1jjj h MET 38 N 0.87 0.00 -6.29 0.00 -0.00 -1.55 -3.46 114.93 104.48 1jjj h MET 38 Ca 0.20 0.00 -0.55 0.00 -0.00 0.00 0.00 59.70 59.35 1jjj h MET 38 Cb 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.78 1jjj h MET 38 CO -0.01 0.74 1.21 0.00 -0.00 0.00 0.00 176.91 178.85 1jjj s ALA 39 N -2.71 2.75 -0.70 -3.00 0.00 0.09 -5.00 121.76 113.20 1jjj s ALA 39 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 1jjj s ALA 39 Cb 0.09 -4.07 0.18 0.00 0.00 0.00 0.00 23.12 19.32 1jjj s ALA 39 CO 0.81 -2.90 0.58 -1.59 0.00 0.00 0.00 175.76 172.67 1jjj s LYS 40 N 5.76 3.06 0.38 0.00 -2.85 -1.26 -4.88 119.74 119.94 1jjj s LYS 40 Ca 0.68 -2.38 -0.23 0.00 -1.00 0.00 0.00 55.97 53.05 1jjj s LYS 40 Cb -0.16 -4.10 -0.10 0.00 -2.06 0.00 0.00 37.83 31.40 1jjj s LYS 40 CO 0.29 -1.24 0.94 -1.25 0.10 0.00 0.00 175.35 174.19 1jjj s PRO 41 N 0.28 4.36 -0.73 1.78 0.04 -1.26 -4.70 135.00 134.76 1jjj s PRO 41 Ca 0.15 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.11 1jjj s PRO 41 Cb -0.17 -2.44 0.04 0.00 0.04 0.00 0.00 34.50 31.98 1jjj s PRO 41 CO -0.05 0.10 1.21 -0.51 0.04 0.00 0.00 177.00 177.78 1jjj s ASP 42 N -1.96 6.18 -0.40 6.66 1.11 -0.41 -3.09 116.67 124.76 1jjj s ASP 42 Ca 0.57 -0.63 -0.13 0.00 0.18 0.00 0.00 52.55 52.54 1jjj s ASP 42 Cb -0.13 -2.52 0.03 0.00 1.07 0.00 0.00 42.92 41.37 1jjj s ASP 42 CO 0.17 -1.73 0.27 0.00 1.18 0.00 0.00 175.17 175.07 1jjj s ILE 44 N 1.62 5.08 -0.57 0.00 1.01 -0.04 -0.82 121.20 127.47 1jjj s ILE 44 Ca 0.04 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 1jjj s ILE 44 Cb -0.19 -4.23 0.04 0.00 0.01 0.00 0.00 42.46 38.09 1jjj s ILE 44 CO 0.08 -0.73 0.97 -0.63 0.00 0.00 0.00 174.94 174.64 1jjj s ILE 45 N 2.06 4.33 -0.28 2.92 1.01 0.18 -1.07 121.20 130.35 1jjj s ILE 45 Ca 0.08 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.91 1jjj s ILE 45 Cb -0.23 -4.58 -0.01 0.00 0.01 0.00 0.00 42.46 37.65 1jjj s ILE 45 CO 0.08 -1.20 0.08 0.42 0.00 0.00 0.00 174.94 174.32 1jjj s THR 46 N 4.10 4.16 -0.40 2.92 -4.23 -0.16 -1.19 115.64 120.84 1jjj s THR 46 Ca 0.30 -0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 60.34 1jjj s THR 46 Cb -0.13 -3.06 0.11 0.00 1.34 0.00 0.00 72.50 70.77 1jjj s THR 46 CO 0.18 0.19 0.20 0.00 -0.54 0.00 0.00 174.62 174.65 1jjj n ASP 48 N 4.58 6.47 0.00 0.00 2.03 -0.67 -4.95 116.55 124.02 1jjj n ASP 48 Ca -0.02 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.29 1jjj n ASP 48 Cb 0.41 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 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 2.74 0.35 0.14 0.27 0.00 -1.26 -2.17 105.19 105.26 1jjj n GLY 49 Ca 0.55 0.67 -0.23 0.00 0.00 0.00 0.00 46.02 47.01 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 0.46 -5.26 1.61 1.79 -1.94 -3.46 116.57 109.77 1jjj h LYS 50 Ca 0.00 -0.79 -0.65 0.00 -2.18 0.00 0.00 60.65 57.03 1jjj h LYS 50 Cb 0.00 0.29 -0.16 0.00 -1.58 0.00 0.00 32.23 30.78 1jjj h LYS 50 CO 0.00 1.37 0.35 -0.80 -1.08 0.00 0.00 179.45 179.29 1jjj s ASN 51 N -7.43 6.22 -0.33 0.86 -0.87 -0.92 -0.39 114.94 112.08 1jjj s ASN 51 Ca -0.11 -0.94 -0.07 0.00 -1.57 0.00 0.00 52.86 50.17 1jjj s ASN 51 Cb 0.05 -2.37 0.03 0.00 -0.02 0.00 0.00 41.25 38.93 1jjj s ASN 51 CO 0.91 -1.22 0.10 -0.22 -2.57 0.00 0.00 177.10 174.10 1jjj s LEU 52 N 3.45 4.17 -0.28 0.60 0.20 -0.23 -1.67 118.68 124.93 1jjj s LEU 52 Ca 0.20 -0.97 -0.08 0.00 0.69 0.00 0.00 54.13 53.97 1jjj s LEU 52 Cb -0.18 -1.89 -0.01 0.00 -0.43 0.00 0.00 46.19 43.68 1jjj s LEU 52 CO 0.11 -0.28 0.11 -0.89 -0.29 0.00 0.00 176.35 175.11 1jjj s THR 53 N 1.45 4.35 -0.38 3.68 2.01 0.23 -0.62 115.64 126.38 1jjj s THR 53 Ca 0.00 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 1jjj s THR 53 Cb -0.19 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.18 1jjj s THR 53 CO 0.03 0.17 0.26 -0.63 -0.69 0.00 0.00 174.62 173.76 1jjj s ILE 54 N 1.59 5.10 -0.68 1.82 1.01 -0.22 -0.98 121.20 128.83 1jjj s ILE 54 Ca 0.05 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.02 1jjj s ILE 54 Cb -0.16 -3.76 0.18 0.00 0.01 0.00 0.00 42.46 38.72 1jjj s ILE 54 CO 0.04 -0.18 0.61 -0.75 0.00 0.00 0.00 174.94 174.66 1jjj s LYS 55 N 1.67 3.20 -0.59 2.79 2.20 -0.24 -1.89 119.74 126.87 1jjj s LYS 55 Ca 0.05 -2.16 -0.22 0.00 -0.36 0.00 0.00 55.97 53.27 1jjj s LYS 55 Cb -0.18 -4.27 0.06 0.00 -1.51 0.00 0.00 37.83 31.92 1jjj s LYS 55 CO 0.09 -1.28 0.89 0.99 -0.36 0.00 0.00 175.35 175.69 1jjj s THR 56 N 0.71 4.45 -0.34 3.43 2.01 -0.67 -0.87 115.64 124.37 1jjj s THR 56 Ca 0.12 -0.16 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 1jjj s THR 56 Cb -0.19 -4.56 -0.02 0.00 0.01 0.00 0.00 72.50 67.74 1jjj s THR 56 CO -0.04 -1.21 0.23 -1.61 -0.69 0.00 0.00 174.62 171.30 1jjj s GLU 57 N 3.75 3.48 -0.08 4.92 0.41 -0.62 -1.23 118.70 129.33 1jjj s GLU 57 Ca 0.24 -0.65 -0.09 0.00 -0.41 0.00 0.00 54.97 54.05 1jjj s GLU 57 Cb -0.16 -3.78 0.02 0.00 -1.78 0.00 0.00 34.13 28.44 1jjj s GLU 57 CO 0.14 -0.44 0.26 0.45 -0.49 0.00 0.00 175.26 175.18 1jjj s SER 58 N 1.71 -0.25 0.46 -0.19 0.15 -1.26 -1.29 113.70 113.04 1jjj s SER 58 Ca 0.06 0.44 0.13 0.00 0.70 0.00 0.00 55.95 57.27 1jjj s SER 58 Cb -0.17 0.49 1.06 0.00 -1.71 0.00 0.00 66.02 65.69 1jjj s SER 58 CO 0.10 -0.14 2.06 0.71 1.20 0.00 0.00 173.24 177.17 1jjj h THR 59 N 4.62 1.00 -0.06 6.45 1.35 -1.98 -2.68 112.91 121.62 1jjj h THR 59 Ca -0.26 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 65.47 1jjj h THR 59 Cb 1.19 0.66 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1jjj h THR 59 CO 0.35 0.06 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.58 1jjj h LEU 60 N 0.32 0.12 -6.19 3.87 3.38 -1.99 -3.45 115.31 111.37 1jjj h LEU 60 Ca 0.14 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1jjj h LEU 60 Cb 0.17 -0.03 -0.25 0.00 0.09 0.00 0.00 40.66 40.64 1jjj h LEU 60 CO -0.03 0.51 -0.38 -0.75 0.09 0.00 0.00 178.44 177.88 1jjj s LYS 61 N -4.57 0.48 -0.14 1.13 2.36 -1.15 -5.14 119.74 112.71 1jjj s LYS 61 Ca -0.15 0.72 -0.19 0.00 -2.55 0.00 0.00 55.97 53.80 1jjj s LYS 61 Cb 0.03 0.08 -0.04 0.00 -1.05 0.00 0.00 37.83 36.86 1jjj s LYS 61 CO 0.70 -0.71 0.52 0.99 1.55 0.00 0.00 175.35 178.40 1jjj s THR 62 N 2.72 5.14 -0.22 3.43 2.01 -1.02 -3.99 115.64 123.71 1jjj s THR 62 Ca 0.16 1.02 -0.02 0.00 0.31 0.00 0.00 61.69 63.16 1jjj s THR 62 Cb -0.14 -3.85 0.06 0.00 0.01 0.00 0.00 72.50 68.58 1jjj s THR 62 CO -0.21 0.27 0.01 0.42 -0.69 0.00 0.00 174.62 174.43 1jjj s THR 63 N 0.97 0.87 -0.26 -0.82 -4.23 -0.36 -4.97 115.64 106.84 1jjj s THR 63 Ca 0.27 -0.85 -0.08 0.00 -1.18 0.00 0.00 61.69 59.85 1jjj s THR 63 Cb -0.15 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 1jjj s THR 63 CO 0.11 -0.22 0.09 -1.58 -0.54 0.00 0.00 174.62 172.48 1jjj s GLN 64 N 1.69 3.71 0.02 3.99 0.74 -1.26 -1.67 119.66 126.87 1jjj s GLN 64 Ca -0.01 -0.45 0.03 0.00 0.05 0.00 0.00 55.36 54.98 1jjj s GLN 64 Cb -0.18 -3.39 -0.01 0.00 1.10 0.00 0.00 33.01 30.53 1jjj s GLN 64 CO -0.09 -0.19 -0.10 -0.59 -0.55 0.00 0.00 175.29 173.77 1jjj s PHE 65 N 1.64 0.86 -0.36 1.67 -0.12 -0.80 -5.01 117.98 115.87 1jjj s PHE 65 Ca 0.06 -0.28 -0.12 0.00 -0.05 0.00 0.00 56.93 56.54 1jjj s PHE 65 Cb -0.15 -0.53 0.00 0.00 -0.63 0.00 0.00 43.02 41.71 1jjj s PHE 65 CO 0.05 -0.01 0.22 -1.54 -0.05 0.00 0.00 175.22 173.89 1jjj s SER 66 N -0.79 5.87 -0.23 1.98 1.04 -1.26 -1.06 113.70 119.26 1jjj s SER 66 Ca -0.00 -0.68 -0.09 0.00 0.48 0.00 0.00 55.95 55.66 1jjj s SER 66 Cb -0.06 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 1jjj s SER 66 CO 0.00 -0.31 0.11 0.00 0.98 0.00 0.00 173.24 174.03 1jjj s THR 68 N 1.16 4.75 0.07 0.00 2.01 -1.26 -1.07 115.64 121.30 1jjj s THR 68 Ca 0.06 1.91 -0.31 0.00 0.31 0.00 0.00 61.69 63.66 1jjj s THR 68 Cb -0.14 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.05 1jjj s THR 68 CO 0.04 -0.11 1.25 -0.22 -0.69 0.00 0.00 174.62 174.90 1jjj s LEU 69 N 2.80 4.36 0.00 4.42 2.96 0.48 -1.75 118.68 131.96 1jjj s LEU 69 Ca 0.43 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 1jjj s LEU 69 Cb -0.16 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1jjj s LEU 69 CO 0.09 -0.52 0.00 0.61 -1.32 0.00 0.00 176.35 175.21 1jjj n GLY 70 N 3.30 2.09 3.96 7.98 0.00 0.69 -5.00 105.19 118.21 1jjj n GLY 70 Ca 0.10 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 2.00 0.23 1.61 2.02 -0.71 -4.73 118.70 119.11 1jjj s GLU 71 Ca 0.00 -0.70 0.09 0.00 0.02 0.00 0.00 54.97 54.38 1jjj s GLU 71 Cb 0.00 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 1jjj s GLU 71 CO 0.00 -1.25 -0.04 -1.59 0.02 0.00 0.00 175.26 172.40 1jjj s LYS 72 N -5.13 2.20 0.12 1.61 -2.85 -1.26 -2.58 119.74 111.86 1jjj s LYS 72 Ca 0.62 -1.35 -0.04 0.00 -1.00 0.00 0.00 55.97 54.20 1jjj s LYS 72 Cb -0.08 -2.16 -0.03 0.00 -2.06 0.00 0.00 37.83 33.50 1jjj s LYS 72 CO 0.43 0.39 0.12 -0.59 0.10 0.00 0.00 175.35 175.80 1jjj s PHE 73 N -2.08 0.59 -0.61 1.78 -0.71 -0.93 -4.91 117.98 111.12 1jjj s PHE 73 Ca 0.29 -1.00 -0.28 0.00 -1.04 0.00 0.00 56.93 54.90 1jjj s PHE 73 Cb -0.07 -0.30 0.03 0.00 -1.21 0.00 0.00 43.02 41.46 1jjj s PHE 73 CO 0.18 -0.55 1.20 -2.00 -1.34 0.00 0.00 175.22 172.71 1jjj s GLU 74 N -3.98 3.45 -0.35 1.99 2.12 -1.26 -0.88 118.70 119.78 1jjj s GLU 74 Ca 0.17 0.13 -0.14 0.00 0.36 0.00 0.00 54.97 55.49 1jjj s GLU 74 Cb 0.06 -4.05 -0.01 0.00 0.26 0.00 0.00 34.13 30.39 1jjj s GLU 74 CO -0.02 -1.76 0.28 -2.00 -0.54 0.00 0.00 175.26 171.22 1jjj s GLU 75 N 5.05 3.45 -0.48 4.30 2.12 -0.17 -4.95 118.70 128.02 1jjj s GLU 75 Ca 0.41 -0.62 -0.19 0.00 0.36 0.00 0.00 54.97 54.92 1jjj s GLU 75 Cb -0.08 -3.83 0.05 0.00 0.26 0.00 0.00 34.13 30.53 1jjj s GLU 75 CO 0.23 -0.50 0.62 0.99 -0.54 0.00 0.00 175.26 176.06 1jjj s THR 76 N 1.80 4.87 0.60 -1.70 2.01 -1.26 -0.82 115.64 121.15 1jjj s THR 76 Ca 0.08 -0.32 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 1jjj s THR 76 Cb -0.17 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1jjj s THR 76 CO 0.11 -0.73 1.03 0.42 -0.69 0.00 0.00 174.62 174.76 1jjj s THR 77 N 2.66 4.31 0.48 -0.82 -4.23 -0.53 -4.93 115.64 112.59 1jjj s THR 77 Ca 0.17 0.93 0.19 0.00 -1.18 0.00 0.00 61.69 61.79 1jjj s THR 77 Cb -0.18 -3.62 0.35 0.00 1.34 0.00 0.00 72.50 70.40 1jjj s THR 77 CO 0.14 -0.81 2.00 0.00 -0.54 0.00 0.00 174.62 175.41 1jjj h ALA 78 N 0.13 2.21 0.00 3.99 0.00 -1.96 -1.43 119.26 122.20 1jjj h ALA 78 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jjj h ALA 78 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jjj h ALA 78 CO 0.60 -0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 1jjj n ASP 79 N -4.44 0.04 -1.04 0.00 5.75 -1.26 -4.97 116.55 110.63 1jjj n ASP 79 Ca 0.09 -1.75 -0.02 0.00 -0.01 0.00 0.00 54.79 53.10 1jjj n ASP 79 Cb 0.45 -0.02 0.01 0.00 -1.03 0.00 0.00 41.12 40.53 1jjj n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jjj n GLY 80 N 0.36 0.56 2.91 6.12 0.00 -0.54 -4.86 105.19 109.74 1jjj n GLY 80 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.57 0.88 -0.40 1.61 0.52 -1.26 -4.95 118.95 110.77 1jjj s ARG 81 Ca 0.03 -0.14 -0.22 0.00 -0.52 0.00 0.00 55.73 54.88 1jjj s ARG 81 Cb -0.01 -0.86 0.02 0.00 0.52 0.00 0.00 34.95 34.62 1jjj s ARG 81 CO 0.07 -0.06 0.70 0.15 0.02 0.00 0.00 175.30 176.18 1jjj s LYS 82 N 0.82 3.51 -0.05 3.54 1.02 -1.26 -1.45 119.74 125.87 1jjj s LYS 82 Ca -0.11 -0.07 0.04 0.00 0.02 0.00 0.00 55.97 55.84 1jjj s LYS 82 Cb -0.14 -3.88 -0.00 0.00 -0.52 0.00 0.00 37.83 33.28 1jjj s LYS 82 CO 0.01 -0.93 -0.18 0.95 -0.92 0.00 0.00 175.35 174.28 1jjj s THR 83 N 2.94 1.50 -0.72 2.17 -4.23 0.00 -4.77 115.64 112.54 1jjj s THR 83 Ca 0.26 -0.75 -0.26 0.00 -1.18 0.00 0.00 61.69 59.77 1jjj s THR 83 Cb -0.14 -1.30 0.04 0.00 1.34 0.00 0.00 72.50 72.45 1jjj s THR 83 CO 0.18 0.43 1.21 -1.10 -0.54 0.00 0.00 174.62 174.80 1jjj s GLN 84 N 0.10 3.17 -0.33 3.99 -1.52 0.35 -1.00 119.66 124.42 1jjj s GLN 84 Ca -0.06 -0.38 -0.08 0.00 -1.95 0.00 0.00 55.36 52.89 1jjj s GLN 84 Cb -0.13 -4.19 0.02 0.00 -0.22 0.00 0.00 33.01 28.49 1jjj s GLN 84 CO 0.03 -2.07 0.12 0.99 -0.25 0.00 0.00 175.29 174.11 1jjj s THR 85 N 5.35 4.10 -0.18 -0.19 2.01 -0.06 -2.13 115.64 124.54 1jjj s THR 85 Ca 0.32 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 61.27 1jjj s THR 85 Cb -0.10 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 1jjj s THR 85 CO 0.14 -0.07 0.64 0.54 -0.69 0.00 0.00 174.62 175.17 1jjj s VAL 86 N 1.49 5.03 -0.30 3.82 0.11 -0.41 -2.20 120.40 127.93 1jjj s VAL 86 Ca 0.01 1.21 -0.07 0.00 -2.93 0.00 0.00 61.98 60.21 1jjj s VAL 86 Cb -0.18 -3.95 0.01 0.00 -1.53 0.00 0.00 36.38 30.73 1jjj s VAL 86 CO 0.04 0.13 0.09 0.00 -3.33 0.00 0.00 175.10 172.02 1jjj s ASN 88 N 1.49 2.70 -0.27 0.00 0.01 -0.53 -0.22 114.94 118.11 1jjj s ASN 88 Ca 0.02 -0.49 -0.21 0.00 -0.71 0.00 0.00 52.86 51.47 1jjj s ASN 88 Cb -0.18 -1.20 -0.01 0.00 0.41 0.00 0.00 41.25 40.27 1jjj s ASN 88 CO 0.03 -0.04 0.65 0.12 -1.51 0.00 0.00 177.10 176.35 1jjj s PHE 89 N 1.41 3.26 0.20 2.20 5.36 -1.26 -0.70 117.98 128.45 1jjj s PHE 89 Ca 0.04 0.78 0.02 0.00 -0.96 0.00 0.00 56.93 56.81 1jjj s PHE 89 Cb -0.13 -2.92 -0.03 0.00 -0.34 0.00 0.00 43.02 39.60 1jjj s PHE 89 CO -0.10 -0.38 0.35 -0.08 -1.46 0.00 0.00 175.22 173.55 1jjj s THR 90 N 2.58 5.26 -0.62 0.12 -1.32 -0.67 -5.02 115.64 115.98 1jjj s THR 90 Ca 0.27 -0.70 -0.26 0.00 -1.21 0.00 0.00 61.69 59.79 1jjj s THR 90 Cb -0.15 -3.79 -0.10 0.00 -1.51 0.00 0.00 72.50 66.95 1jjj s THR 90 CO 0.09 -0.22 2.41 -0.62 -2.21 0.00 0.00 174.62 174.07 1jjj s ASP 91 N -3.52 4.20 0.00 8.08 2.15 -1.26 -0.87 116.67 125.45 1jjj s ASP 91 Ca 0.36 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.98 1jjj s ASP 91 Cb -0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1jjj s ASP 91 CO 0.29 -3.31 0.00 0.61 -0.17 0.00 0.00 175.17 172.60 1jjj n GLY 92 N 6.34 1.98 2.89 2.66 0.00 -1.26 -5.12 105.19 112.70 1jjj n GLY 92 Ca 0.41 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.18 -0.23 -0.49 4.61 0.00 -0.05 -2.70 121.76 120.71 1jjj s ALA 93 Ca 0.00 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 52.39 1jjj s ALA 93 Cb 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 23.12 22.55 1jjj s ALA 93 CO 0.00 -0.32 0.73 -1.17 0.00 0.00 0.00 175.76 175.00 1jjj s LEU 94 N 1.63 4.53 -0.51 0.00 2.96 -0.47 -1.68 118.68 125.15 1jjj s LEU 94 Ca -0.04 -0.51 -0.22 0.00 -0.22 0.00 0.00 54.13 53.13 1jjj s LEU 94 Cb -0.12 -2.68 0.04 0.00 0.50 0.00 0.00 46.19 43.93 1jjj s LEU 94 CO -0.06 -0.95 0.78 -0.69 -1.32 0.00 0.00 176.35 174.11 1jjj s VAL 95 N 3.09 4.64 -0.62 1.68 1.01 0.12 -1.02 120.40 129.30 1jjj s VAL 95 Ca 0.23 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 1jjj s VAL 95 Cb -0.15 -4.39 0.08 0.00 0.00 0.00 0.00 36.38 31.92 1jjj s VAL 95 CO 0.17 -0.89 0.84 -1.58 0.00 0.00 0.00 175.10 173.64 1jjj s GLN 96 N 3.29 3.09 -0.53 2.72 0.74 -0.31 -1.46 119.66 127.20 1jjj s GLN 96 Ca 0.25 -1.02 -0.20 0.00 0.05 0.00 0.00 55.36 54.44 1jjj s GLN 96 Cb -0.15 -4.23 0.07 0.00 1.10 0.00 0.00 33.01 29.80 1jjj s GLN 96 CO 0.17 -1.66 0.68 -1.58 -0.55 0.00 0.00 175.29 172.35 1jjj s HIS 97 N 3.41 3.00 -0.22 1.67 5.65 -0.49 -0.83 115.29 127.49 1jjj s HIS 97 Ca 0.18 -0.59 -0.08 0.00 0.25 0.00 0.00 55.06 54.82 1jjj s HIS 97 Cb -0.20 -3.70 -0.04 0.00 -1.18 0.00 0.00 32.58 27.46 1jjj s HIS 97 CO 0.09 -1.13 0.08 1.14 -0.65 0.00 0.00 174.74 174.26 1jjj s GLN 98 N 2.79 3.85 -0.12 2.88 -2.07 -0.24 -1.29 119.66 125.46 1jjj s GLN 98 Ca 0.16 -0.39 0.03 0.00 -1.82 0.00 0.00 55.36 53.33 1jjj s GLN 98 Cb -0.20 -3.30 0.01 0.00 -1.09 0.00 0.00 33.01 28.43 1jjj s GLN 98 CO 0.11 0.06 -0.22 -1.21 -1.32 0.00 0.00 175.29 172.71 1jjj s GLU 99 N 0.97 2.90 -0.21 9.60 2.02 -0.90 -1.63 118.70 131.45 1jjj s GLU 99 Ca 0.04 -0.82 -0.10 0.00 0.02 0.00 0.00 54.97 54.12 1jjj s GLU 99 Cb -0.14 -2.29 0.08 0.00 0.10 0.00 0.00 34.13 31.88 1jjj s GLU 99 CO 0.03 0.06 0.48 1.67 0.02 0.00 0.00 175.26 177.52 1jjj s TRP 100 N 0.64 -0.81 -1.35 1.61 -2.14 0.07 -0.50 118.94 116.46 1jjj s TRP 100 Ca -0.12 1.59 -0.02 0.00 2.66 0.00 0.00 56.10 60.21 1jjj s TRP 100 Cb -0.16 0.39 -0.00 0.00 -3.10 0.00 0.00 33.47 30.59 1jjj s TRP 100 CO 0.03 -0.45 0.52 -3.47 -2.66 0.00 0.00 176.95 170.92 1jjj n ASP 101 N 4.77 -1.00 0.00 -2.66 2.03 -1.26 -0.80 116.55 117.62 1jjj n ASP 101 Ca -0.17 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.18 1jjj n ASP 101 Cb 0.53 -3.33 0.00 0.00 -0.72 0.00 0.00 41.12 37.60 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 -1.85 2.41 3.83 0.27 0.00 -1.26 -5.03 105.19 103.55 1jjj n GLY 102 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 3.06 0.01 1.61 3.01 0.02 -5.14 119.74 122.31 1jjj s LYS 103 Ca 0.00 -0.69 -0.06 0.00 -1.01 0.00 0.00 55.97 54.21 1jjj s LYS 103 Cb 0.00 -2.79 -0.00 0.00 -1.01 0.00 0.00 37.83 34.03 1jjj s LYS 103 CO 0.00 0.54 0.10 -1.83 0.51 0.00 0.00 175.35 174.67 1jjj s GLU 104 N -2.76 0.47 -0.03 1.68 -1.05 -1.26 -0.75 118.70 115.00 1jjj s GLU 104 Ca 0.32 -0.50 0.01 0.00 -0.15 0.00 0.00 54.97 54.65 1jjj s GLU 104 Cb -0.11 0.19 0.02 0.00 -0.44 0.00 0.00 34.13 33.78 1jjj s GLU 104 CO 0.24 -0.11 -0.02 0.45 0.95 0.00 0.00 175.26 176.78 1jjj s SER 105 N -1.52 0.54 -0.11 0.83 0.15 -0.65 -4.64 113.70 108.31 1jjj s SER 105 Ca -0.14 -0.06 -0.18 0.00 0.70 0.00 0.00 55.95 56.27 1jjj s SER 105 Cb -0.07 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1jjj s SER 105 CO 0.00 -0.05 0.49 0.42 1.20 0.00 0.00 173.24 175.31 1jjj s THR 106 N 0.68 5.17 -0.36 6.45 -4.23 -0.60 -1.08 115.64 121.68 1jjj s THR 106 Ca -0.07 0.99 0.02 0.00 -1.18 0.00 0.00 61.69 61.45 1jjj s THR 106 Cb -0.11 -3.83 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 0.57 1.82 -0.53 2.99 1.01 -0.01 -1.33 121.20 125.72 1jjj s ILE 107 Ca 0.27 -2.18 -0.17 0.00 0.00 0.00 0.00 60.65 58.57 1jjj s ILE 107 Cb -0.15 -2.34 0.10 0.00 0.01 0.00 0.00 42.46 40.08 1jjj s ILE 107 CO 0.11 -0.67 0.53 -0.89 0.00 0.00 0.00 174.94 174.02 1jjj s THR 108 N 0.95 5.11 -0.71 2.92 2.01 -0.18 -1.16 115.64 124.58 1jjj s THR 108 Ca 0.12 -1.20 -0.22 0.00 0.31 0.00 0.00 61.69 60.70 1jjj s THR 108 Cb -0.20 -4.31 0.08 0.00 0.01 0.00 0.00 72.50 68.08 1jjj s THR 108 CO -0.12 -0.84 1.01 -0.13 -0.69 0.00 0.00 174.62 173.85 1jjj s ARG 109 N 1.92 3.20 0.06 4.92 0.52 -0.19 -1.13 118.95 128.26 1jjj s ARG 109 Ca 0.06 -0.99 0.09 0.00 -0.52 0.00 0.00 55.73 54.37 1jjj s ARG 109 Cb -0.26 -4.38 -0.03 0.00 0.52 0.00 0.00 34.95 30.80 1jjj s ARG 109 CO 0.05 -1.82 -0.24 -1.59 0.02 0.00 0.00 175.30 171.72 1jjj s LYS 110 N 3.88 1.54 -0.38 3.54 -2.85 -0.71 -1.36 119.74 123.39 1jjj s LYS 110 Ca 0.25 -1.09 -0.20 0.00 -1.00 0.00 0.00 55.97 53.93 1jjj s LYS 110 Cb -0.14 -1.75 0.01 0.00 -2.06 0.00 0.00 37.83 33.89 1jjj s LYS 110 CO 0.06 0.44 0.62 -1.17 0.10 0.00 0.00 175.35 175.40 1jjj s LEU 111 N -1.38 4.34 -0.14 2.77 1.98 -1.10 -0.71 118.68 124.44 1jjj s LEU 111 Ca 0.10 -0.03 -0.02 0.00 -2.89 0.00 0.00 54.13 51.29 1jjj s LEU 111 Cb -0.10 -2.74 0.04 0.00 0.66 0.00 0.00 46.19 44.06 1jjj s LEU 111 CO 0.03 -0.63 0.01 -0.54 -1.89 0.00 0.00 176.35 173.32 1jjj s LYS 112 N 2.69 0.75 -1.10 1.98 1.02 -0.39 -4.92 119.74 119.78 1jjj s LYS 112 Ca 0.23 -0.21 -0.07 0.00 0.02 0.00 0.00 55.97 55.94 1jjj s LYS 112 Cb -0.14 -1.62 -0.05 0.00 -0.52 0.00 0.00 37.83 35.50 1jjj s LYS 112 CO 0.16 -0.47 0.90 -3.47 -0.92 0.00 0.00 175.35 171.55 1jjj n ASP 113 N 5.07 -5.61 -4.18 2.83 2.03 -1.26 -3.24 116.55 112.19 1jjj n ASP 113 Ca -0.09 -0.76 -0.35 0.00 0.52 0.00 0.00 54.79 54.12 1jjj n ASP 113 Cb 0.49 -4.84 -0.02 0.00 -0.72 0.00 0.00 41.12 36.02 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 114 N -1.31 -0.42 3.36 0.27 0.00 -1.26 -4.97 105.19 100.86 1jjj n GLY 114 Ca -0.11 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -6.88 0.46 -0.53 1.61 2.47 -1.20 -4.56 119.74 111.11 1jjj s LYS 115 Ca 0.64 0.92 -0.23 0.00 -1.56 0.00 0.00 55.97 55.73 1jjj s LYS 115 Cb -0.35 0.07 0.04 0.00 -1.46 0.00 0.00 37.83 36.13 1jjj s LYS 115 CO 0.92 -0.17 0.88 -1.17 0.16 0.00 0.00 175.35 175.97 1jjj s LEU 116 N 1.61 4.24 -0.44 5.43 2.96 -0.98 -1.26 118.68 130.23 1jjj s LEU 116 Ca -0.09 -0.40 -0.18 0.00 -0.22 0.00 0.00 54.13 53.24 1jjj s LEU 116 Cb -0.08 -2.79 0.03 0.00 0.50 0.00 0.00 46.19 43.85 1jjj s LEU 116 CO -0.14 -1.15 0.52 -0.69 -1.32 0.00 0.00 176.35 173.57 1jjj s VAL 117 N 3.69 4.99 -0.58 1.68 1.01 0.11 -1.33 120.40 129.97 1jjj s VAL 117 Ca 0.28 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 1jjj s VAL 117 Cb -0.13 -4.13 0.10 0.00 0.00 0.00 0.00 36.38 32.22 1jjj s VAL 117 CO 0.19 -0.54 0.69 -0.69 0.00 0.00 0.00 175.10 174.74 1jjj s VAL 118 N 2.36 4.85 -0.58 2.92 1.01 0.07 -1.73 120.40 129.29 1jjj s VAL 118 Ca 0.15 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 1jjj s VAL 118 Cb -0.17 -4.47 0.09 0.00 0.00 0.00 0.00 36.38 31.83 1jjj s VAL 118 CO 0.14 -1.10 0.72 -1.61 0.00 0.00 0.00 175.10 173.26 1jjj s GLU 119 N 2.62 3.07 -0.09 2.72 2.02 -0.29 -1.62 118.70 127.14 1jjj s GLU 119 Ca 0.11 -1.16 0.04 0.00 0.02 0.00 0.00 54.97 53.99 1jjj s GLU 119 Cb -0.24 -4.23 -0.00 0.00 0.10 0.00 0.00 34.13 29.76 1jjj s GLU 119 CO 0.06 -1.51 -0.24 0.00 0.02 0.00 0.00 175.26 173.60 1jjj s VAL 121 N 0.22 0.00 0.00 0.00 0.11 -0.44 -0.92 120.40 119.37 1jjj s VAL 121 Ca -0.14 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1jjj s VAL 121 Cb -0.17 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1jjj s VAL 121 CO 0.07 -0.01 0.00 0.80 -3.33 0.00 0.00 175.10 172.63 1jjj n MET 122 N 2.75 0.00 0.05 1.54 1.56 -1.25 -1.55 117.12 120.22 1jjj n MET 122 Ca -0.14 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.29 1jjj n MET 122 Cb 0.57 -0.19 0.00 0.00 2.15 0.00 0.00 33.22 35.75 1jjj n MET 122 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1jjj n ASN 123 N -1.99 0.24 -0.09 6.12 5.03 -1.26 -4.70 115.26 118.61 1jjj n ASN 123 Ca 0.00 0.15 -0.23 0.00 0.87 0.00 0.00 54.58 55.38 1jjj n ASN 123 Cb 0.00 0.01 -0.12 0.00 -1.02 0.00 0.00 39.78 38.65 1jjj n ASN 123 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1jjj n ASN 124 N -2.99 1.99 -4.63 6.41 3.02 -1.26 -5.00 115.26 112.80 1jjj n ASN 124 Ca 0.00 0.21 -0.40 0.00 -0.03 0.00 0.00 54.58 54.36 1jjj n ASN 124 Cb 0.00 -0.77 -0.07 0.00 -0.61 0.00 0.00 39.78 38.33 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 -2.49 5.06 -0.34 2.41 1.01 -1.26 -5.05 120.40 119.75 1jjj s VAL 125 Ca -0.31 0.95 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 1jjj s VAL 125 Cb 0.09 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1jjj s VAL 125 CO 0.62 0.09 0.20 0.42 0.00 0.00 0.00 175.10 176.43 1jjj s THR 126 N 2.20 4.90 -0.16 3.92 -4.23 -1.26 -3.74 115.64 117.27 1jjj s THR 126 Ca 0.23 -0.41 -0.10 0.00 -1.18 0.00 0.00 61.69 60.22 1jjj s THR 126 Cb -0.16 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 1jjj s THR 126 CO 0.09 -0.02 0.18 0.00 -0.54 0.00 0.00 174.62 174.33 1jjj s THR 128 N -0.01 3.78 -0.35 0.00 2.01 -0.62 -1.57 115.64 118.88 1jjj s THR 128 Ca 0.12 -1.55 -0.11 0.00 0.31 0.00 0.00 61.69 60.46 1jjj s THR 128 Cb -0.12 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.05 1jjj s THR 128 CO 0.02 -0.48 0.19 -0.13 -0.69 0.00 0.00 174.62 173.53 1jjj s ARG 129 N 1.32 3.12 -0.12 4.92 0.52 -0.64 -2.88 118.95 125.19 1jjj s ARG 129 Ca 0.03 -0.88 -0.18 0.00 -0.52 0.00 0.00 55.73 54.18 1jjj s ARG 129 Cb -0.22 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 1jjj s ARG 129 CO 0.00 -0.56 0.46 0.42 0.02 0.00 0.00 175.30 175.65 1jjj s ILE 130 N 1.60 5.20 -0.15 1.52 -1.09 -0.03 -0.76 121.20 127.49 1jjj s ILE 130 Ca 0.04 0.92 0.01 0.00 -2.23 0.00 0.00 60.65 59.39 1jjj s ILE 130 Cb -0.18 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1jjj s ILE 130 CO 0.07 0.33 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.61 1jjj s TYR 131 N 0.65 2.73 0.20 3.97 1.51 -0.44 -1.52 117.35 124.45 1jjj s TYR 131 Ca 0.25 -1.27 -0.30 0.00 -1.01 0.00 0.00 57.07 54.75 1jjj s TYR 131 Cb -0.15 -1.86 -0.08 0.00 -0.11 0.00 0.00 41.96 39.76 1jjj s TYR 131 CO 0.10 -0.59 1.13 -1.83 -1.11 0.00 0.00 175.55 173.25 1jjj s GLU 132 N 0.89 4.57 -0.27 -0.62 -1.05 -0.34 -2.32 118.70 119.56 1jjj s GLU 132 Ca -0.05 1.78 -0.29 0.00 -0.15 0.00 0.00 54.97 56.27 1jjj s GLU 132 Cb -0.15 -3.25 0.00 0.00 -0.44 0.00 0.00 34.13 30.29 1jjj s GLU 132 CO -0.03 0.05 1.26 0.21 0.95 0.00 0.00 175.26 177.71 1jjj s LYS 133 N -0.57 4.01 -1.23 -4.83 2.20 -1.26 -0.89 119.74 117.18 1jjj s LYS 133 Ca 0.49 1.32 -0.08 0.00 -0.36 0.00 0.00 55.97 57.34 1jjj s LYS 133 Cb -0.31 -3.83 0.21 0.00 -1.51 0.00 0.00 37.83 32.39 1jjj s LYS 133 CO 0.37 -0.99 1.78 0.28 -0.36 0.00 0.00 175.35 176.42 1jjj n VAL 134 N 5.97 4.64 -1.46 4.02 0.31 -0.12 -4.98 118.33 126.72 1jjj n VAL 134 Ca 0.14 -4.83 0.00 0.00 -0.01 0.00 0.00 64.34 59.65 1jjj n VAL 134 Cb 0.46 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 1jjj n VAL 134 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89