#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 0.33 0.00 2.28 3.04 -2.01 -3.05 116.25 116.84 1jjj h VAL 4 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1jjj h VAL 4 Cb 0.00 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1jjj h VAL 4 CO 0.00 0.05 0.00 1.67 -1.01 0.00 0.00 177.57 178.28 1jjj n GLN 5 N -3.44 0.19 -0.11 4.17 7.27 -1.26 -1.48 117.38 122.72 1jjj n GLN 5 Ca -0.02 0.48 0.07 0.00 0.07 0.00 0.00 57.00 57.60 1jjj n GLN 5 Cb 0.19 -1.91 0.40 0.00 2.41 0.00 0.00 30.24 31.33 1jjj n GLN 5 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1jjj h GLN 6 N 0.00 0.62 -0.03 3.69 7.50 -2.00 -3.07 115.11 121.81 1jjj h GLN 6 Ca 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1jjj h GLN 6 Cb 0.28 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.67 1jjj h GLN 6 CO 0.00 0.41 0.00 1.28 -1.50 0.00 0.00 178.83 179.02 1jjj n LEU 7 N -4.47 0.48 -4.87 1.46 4.77 -0.55 -4.98 117.00 108.83 1jjj n LEU 7 Ca 0.08 -0.19 -0.33 0.00 -0.03 0.00 0.00 56.01 55.55 1jjj n LEU 7 Cb 0.20 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1jjj n LEU 7 CO 0.34 0.09 0.17 -1.61 -1.33 0.00 0.00 177.39 175.05 1jjj s GLU 8 N -1.96 3.79 0.00 3.23 2.02 -1.16 -4.68 118.70 119.93 1jjj s GLU 8 Ca 0.34 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.56 1jjj s GLU 8 Cb 0.17 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1jjj s GLU 8 CO 0.27 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.36 1jjj n GLY 9 N 0.19 1.22 3.66 -1.39 0.00 -0.50 -4.95 105.19 103.41 1jjj n GLY 9 Ca -0.02 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.13 4.25 -0.23 1.61 3.52 -1.26 -1.44 118.95 124.27 1jjj s ARG 10 Ca 0.00 0.89 0.02 0.00 -0.13 0.00 0.00 55.73 56.51 1jjj s ARG 10 Cb 0.00 -3.59 0.04 0.00 -1.56 0.00 0.00 34.95 29.84 1jjj s ARG 10 CO 0.00 -0.34 -0.14 -1.58 -0.81 0.00 0.00 175.30 172.43 1jjj s TRP 11 N 2.22 3.06 -0.22 5.12 0.52 -0.44 -0.72 118.94 128.48 1jjj s TRP 11 Ca 0.35 -2.00 -0.07 0.00 0.02 0.00 0.00 56.10 54.39 1jjj s TRP 11 Cb -0.16 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.19 1jjj s TRP 11 CO 0.11 -0.84 0.07 0.50 0.02 0.00 0.00 176.95 176.80 1jjj s ARG 12 N 1.19 3.79 0.11 4.98 3.00 0.15 -0.60 118.95 131.58 1jjj s ARG 12 Ca -0.03 -0.42 -0.31 0.00 -1.00 0.00 0.00 55.73 53.97 1jjj s ARG 12 Cb -0.17 -3.27 -0.09 0.00 0.00 0.00 0.00 34.95 31.42 1jjj s ARG 12 CO -0.08 0.01 1.51 -1.17 0.00 0.00 0.00 175.30 175.57 1jjj s LEU 13 N 1.07 4.36 0.00 -0.88 2.96 -0.67 -0.96 118.68 124.57 1jjj s LEU 13 Ca 0.04 2.44 -0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1jjj s LEU 13 Cb -0.14 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 1jjj s LEU 13 CO 0.03 -0.77 -0.01 1.33 -1.32 0.00 0.00 176.35 175.62 1jjj n VAL 14 N 4.17 0.12 -3.51 1.68 0.24 -0.35 -4.86 118.33 115.81 1jjj n VAL 14 Ca 0.13 0.13 -0.32 0.00 -2.04 0.00 0.00 64.34 62.25 1jjj n VAL 14 Cb 0.41 -1.17 -0.05 0.00 -1.47 0.00 0.00 33.84 31.56 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 -4.89 6.58 -0.42 -1.34 -1.08 -1.19 -4.95 116.67 109.37 1jjj s ASP 15 Ca -0.01 0.80 0.09 0.00 -0.52 0.00 0.00 52.55 52.91 1jjj s ASP 15 Cb 0.00 -2.18 0.34 0.00 -1.46 0.00 0.00 42.92 39.62 1jjj s ASP 15 CO 0.01 -0.02 0.98 -1.20 0.52 0.00 0.00 175.17 175.46 1jjj n SER 16 N -0.04 -1.07 -4.73 -0.34 7.64 -1.26 -2.28 113.62 111.54 1jjj n SER 16 Ca -0.01 -3.37 -0.42 0.00 1.01 0.00 0.00 58.87 56.08 1jjj n SER 16 Cb 0.52 0.90 -0.03 0.00 -1.01 0.00 0.00 64.21 64.59 1jjj n SER 16 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1jjj s LYS 17 N -0.81 4.45 0.00 1.43 -2.85 -1.21 -2.97 119.74 117.78 1jjj s LYS 17 Ca 0.29 1.88 0.00 0.00 -1.00 0.00 0.00 55.97 57.14 1jjj s LYS 17 Cb 0.32 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.82 1jjj s LYS 17 CO -0.06 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 175.61 1jjj n GLY 18 N 2.64 2.56 0.24 0.59 0.00 -1.26 -1.11 105.19 108.85 1jjj n GLY 18 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 0.60 -0.05 1.61 3.57 -1.72 -1.52 116.94 119.44 1jjj h PHE 19 Ca 0.00 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.41 1jjj h PHE 19 Cb 0.00 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 1jjj h PHE 19 CO 0.00 0.74 -0.27 0.22 -2.23 0.00 0.00 178.31 176.77 1jjj h ASP 20 N 0.47 -0.82 -0.32 0.41 3.58 -1.94 -1.13 116.42 116.68 1jjj h ASP 20 Ca 0.07 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1jjj h ASP 20 Cb 0.68 0.34 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 1jjj h ASP 20 CO 0.05 -0.33 0.19 -0.33 -2.88 0.00 0.00 179.24 175.94 1jjj h GLU 21 N -0.39 0.43 -0.35 0.28 5.08 -1.90 -2.23 114.58 115.50 1jjj h GLU 21 Ca 0.08 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1jjj h GLU 21 Cb 0.50 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1jjj h GLU 21 CO -0.27 0.32 0.18 -0.92 -1.00 0.00 0.00 179.01 177.32 1jjj h TYR 22 N 0.41 0.33 -0.80 4.33 3.20 -1.27 -1.37 116.97 121.81 1jjj h TYR 22 Ca 0.11 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1jjj h TYR 22 Cb 0.00 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 1jjj h TYR 22 CO -0.04 0.18 0.38 0.52 -1.64 0.00 0.00 178.16 177.56 1jjj h MET 23 N 0.37 1.15 -0.47 1.82 2.86 -1.23 -0.81 114.93 118.62 1jjj h MET 23 Ca 0.14 -0.17 0.09 0.00 -2.06 0.00 0.00 59.70 57.70 1jjj h MET 23 Cb 0.04 -0.21 -0.10 0.00 0.06 0.00 0.00 31.60 31.40 1jjj h MET 23 CO -0.09 0.90 -0.28 -0.22 1.06 0.00 0.00 176.91 178.27 1jjj h LYS 24 N 1.13 -0.17 -0.03 1.72 3.11 -1.34 -2.49 116.57 118.51 1jjj h LYS 24 Ca 0.27 0.01 -0.19 0.00 -2.81 0.00 0.00 60.65 57.94 1jjj h LYS 24 Cb 0.13 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 1jjj h LYS 24 CO -0.03 -0.11 -0.81 1.49 -2.81 0.00 0.00 179.45 177.18 1jjj h GLU 25 N -0.18 0.28 -0.99 1.90 4.57 -1.00 -3.05 114.58 116.11 1jjj h GLU 25 Ca 0.21 -0.26 0.28 0.00 -1.18 0.00 0.00 59.36 58.40 1jjj h GLU 25 Cb 0.51 0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 29.03 1jjj h GLU 25 CO -0.57 0.95 0.56 -0.07 -1.18 0.00 0.00 179.01 178.69 1jjj h LEU 26 N 0.17 0.56 -0.74 1.64 3.38 -1.23 -3.48 115.31 115.62 1jjj h LEU 26 Ca -0.04 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jjj h LEU 26 Cb 1.40 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1jjj h LEU 26 CO 0.13 -0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1jjj n GLY 27 N -1.31 0.62 3.07 0.83 0.00 -1.15 -5.11 105.19 102.15 1jjj n GLY 27 Ca 0.29 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1jjj n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jjj s VAL 28 N -2.25 1.65 0.63 1.61 1.01 -0.94 -4.99 120.40 117.11 1jjj s VAL 28 Ca 0.00 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1jjj s VAL 28 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1jjj s VAL 28 CO 0.00 0.47 1.17 -0.83 0.00 0.00 0.00 175.10 175.91 1jjj s GLY 29 N 1.07 2.50 0.23 4.51 0.00 -1.26 -4.65 107.32 109.72 1jjj s GLY 29 Ca -0.04 0.84 -0.06 0.00 0.00 0.00 0.00 44.72 45.46 1jjj s GLY 29 CO -0.04 1.22 1.76 0.16 0.00 0.00 0.00 173.10 176.20 1jjj h ILE 30 N 0.49 0.77 -0.74 0.90 3.07 -2.00 0.54 117.51 120.55 1jjj h ILE 30 Ca -0.49 -0.18 0.04 0.00 1.55 0.00 0.00 64.86 65.78 1jjj h ILE 30 Cb 1.28 0.20 -0.05 0.00 -0.27 0.00 0.00 36.82 37.98 1jjj h ILE 30 CO 0.54 0.10 0.46 0.00 -1.05 0.00 0.00 178.15 178.19 1jjj h ALA 31 N 1.47 0.99 -0.69 0.16 0.00 -1.99 -1.12 119.26 118.06 1jjj h ALA 31 Ca 0.37 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1jjj h ALA 31 Cb 0.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1jjj h ALA 31 CO -0.32 0.22 0.16 -0.07 0.00 0.00 0.00 179.25 179.24 1jjj h LEU 32 N 0.87 1.05 -0.25 0.00 3.38 -1.66 -1.24 115.31 117.46 1jjj h LEU 32 Ca 0.31 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1jjj h LEU 32 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1jjj h LEU 32 CO -0.13 1.01 0.14 0.03 0.09 0.00 0.00 178.44 179.58 1jjj h ARG 33 N 1.05 0.29 0.01 1.13 3.08 -0.81 -0.39 114.38 118.73 1jjj h ARG 33 Ca 0.22 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.27 1jjj h ARG 33 Cb 0.37 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1jjj h ARG 33 CO 0.00 0.19 -0.13 -0.22 -1.07 0.00 0.00 179.97 178.74 1jjj h LYS 34 N 0.29 -0.22 -0.27 0.04 3.64 -1.22 -2.09 116.57 116.75 1jjj h LYS 34 Ca 0.10 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1jjj h LYS 34 Cb 0.00 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.81 1jjj h LYS 34 CO -0.05 -0.15 -0.49 1.98 -2.27 0.00 0.00 179.45 178.47 1jjj h MET 35 N -0.23 -0.40 -0.86 1.90 4.05 -1.20 -1.05 114.93 117.15 1jjj h MET 35 Ca 0.04 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.59 1jjj h MET 35 Cb 0.28 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 31.10 1jjj h MET 35 CO -0.12 -0.27 0.50 0.78 0.23 0.00 0.00 176.91 178.04 1jjj h GLY 36 N -0.41 1.36 0.68 1.39 0.00 -1.08 -1.11 103.07 103.89 1jjj h GLY 36 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1jjj h GLY 36 CO -0.48 0.14 -0.06 0.00 0.00 0.00 0.00 176.54 176.14 1jjj h ALA 37 N 1.47 -0.18 -0.02 3.60 0.00 -1.37 -3.39 119.26 119.38 1jjj h ALA 37 Ca 0.42 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1jjj h ALA 37 Cb 0.39 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1jjj h ALA 37 CO -0.25 -0.44 -0.72 0.00 0.00 0.00 0.00 179.25 177.84 1jjj h MET 38 N -0.50 0.13 -0.03 0.00 3.00 -1.11 -3.36 114.93 113.06 1jjj h MET 38 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 59.70 59.58 1jjj h MET 38 Cb 0.40 0.03 -0.00 0.00 0.00 0.00 0.00 31.60 32.02 1jjj h MET 38 CO 0.03 0.80 0.04 0.00 0.00 0.00 0.00 176.91 177.77 1jjj h ALA 39 N 1.17 1.56 -5.31 -3.00 0.00 -1.38 -3.48 119.26 108.81 1jjj h ALA 39 Ca -0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1jjj h ALA 39 Cb 1.28 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.12 1jjj h ALA 39 CO 0.10 -0.06 -0.22 1.17 0.00 0.00 0.00 179.25 180.25 1jjj n LYS 40 N -3.81 -1.51 -2.10 0.00 3.00 -1.26 -1.61 118.16 110.87 1jjj n LYS 40 Ca -0.02 1.31 -0.39 0.00 -0.00 0.00 0.00 58.31 59.20 1jjj n LYS 40 Cb 0.13 -5.65 -0.01 0.00 0.00 0.00 0.00 35.03 29.50 1jjj n LYS 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1jjj s PRO 41 N -3.35 4.05 -0.36 1.64 0.04 -1.26 -4.62 135.00 131.13 1jjj s PRO 41 Ca 0.12 2.12 -0.14 0.00 0.04 0.00 0.00 61.00 63.13 1jjj s PRO 41 Cb -0.02 -2.80 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 1jjj s PRO 41 CO 0.72 -0.41 0.27 -0.51 0.04 0.00 0.00 177.00 177.11 1jjj s ASP 42 N -0.76 6.09 -0.43 6.66 1.11 0.22 -1.66 116.67 127.90 1jjj s ASP 42 Ca 0.55 -0.57 -0.20 0.00 0.18 0.00 0.00 52.55 52.51 1jjj s ASP 42 Cb -0.37 -2.15 0.02 0.00 1.07 0.00 0.00 42.92 41.49 1jjj s ASP 42 CO 0.48 -0.32 0.63 0.00 1.18 0.00 0.00 175.17 177.14 1jjj s ILE 44 N 2.77 5.05 -0.19 0.00 1.09 0.04 -1.32 121.20 128.63 1jjj s ILE 44 Ca 0.22 -0.71 -0.08 0.00 -1.10 0.00 0.00 60.65 58.98 1jjj s ILE 44 Cb -0.14 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1jjj s ILE 44 CO 0.18 -0.28 0.09 -0.63 -0.10 0.00 0.00 174.94 174.20 1jjj s ILE 45 N 1.64 5.00 -0.17 2.92 1.01 -0.52 -1.58 121.20 129.50 1jjj s ILE 45 Ca 0.04 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.65 1jjj s ILE 45 Cb -0.19 -3.27 0.07 0.00 0.01 0.00 0.00 42.46 39.07 1jjj s ILE 45 CO 0.09 0.44 0.39 -0.89 0.00 0.00 0.00 174.94 174.97 1jjj s THR 46 N 0.45 -0.20 -0.19 2.92 2.01 -0.50 -1.42 115.64 118.72 1jjj s THR 46 Ca 0.05 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 1jjj s THR 46 Cb -0.12 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1jjj s THR 46 CO -0.00 0.05 0.09 0.00 -0.69 0.00 0.00 174.62 174.07 1jjj h ASP 48 N 6.67 0.00 0.00 0.00 3.32 -1.93 -3.50 116.42 120.97 1jjj h ASP 48 Ca -0.39 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1jjj h ASP 48 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1jjj h ASP 48 CO 0.73 0.76 0.00 0.61 -1.72 0.00 0.00 179.24 179.61 1jjj n GLY 49 N 1.68 -1.53 0.13 2.75 0.00 -1.26 -4.97 105.19 101.99 1jjj n GLY 49 Ca -0.06 0.55 -0.20 0.00 0.00 0.00 0.00 46.02 46.31 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 0.34 -6.32 1.61 1.57 -1.94 -3.45 116.57 108.38 1jjj h LYS 50 Ca 0.00 -0.59 -0.54 0.00 -1.87 0.00 0.00 60.65 57.65 1jjj h LYS 50 Cb 0.00 0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 1jjj h LYS 50 CO 0.00 1.24 1.16 0.54 -0.57 0.00 0.00 179.45 181.82 1jjj s ASN 51 N -7.20 5.96 -0.39 0.86 4.22 -1.26 -0.41 114.94 116.73 1jjj s ASN 51 Ca -0.10 0.35 -0.14 0.00 -2.14 0.00 0.00 52.86 50.83 1jjj s ASN 51 Cb 0.06 -2.54 0.01 0.00 1.28 0.00 0.00 41.25 40.05 1jjj s ASN 51 CO 0.88 -1.83 0.29 -0.22 -2.04 0.00 0.00 177.10 174.17 1jjj s LEU 52 N 6.63 4.89 -0.33 3.54 2.96 -0.20 -2.77 118.68 133.40 1jjj s LEU 52 Ca 0.56 -0.72 -0.28 0.00 -0.22 0.00 0.00 54.13 53.48 1jjj s LEU 52 Cb -0.12 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.42 1jjj s LEU 52 CO 0.24 -0.38 1.01 -0.89 -1.32 0.00 0.00 176.35 175.01 1jjj s THR 53 N 1.72 4.55 -0.30 3.68 2.01 0.06 -0.92 115.64 126.44 1jjj s THR 53 Ca 0.06 1.53 0.02 0.00 0.31 0.00 0.00 61.69 63.61 1jjj s THR 53 Cb -0.18 -4.37 0.07 0.00 0.01 0.00 0.00 72.50 68.03 1jjj s THR 53 CO 0.10 -0.48 -0.03 -0.63 -0.69 0.00 0.00 174.62 172.90 1jjj s ILE 54 N 3.55 2.36 -0.21 1.82 1.01 0.08 -1.41 121.20 128.39 1jjj s ILE 54 Ca 0.42 -1.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.09 1jjj s ILE 54 Cb -0.12 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 1jjj s ILE 54 CO 0.16 -0.26 0.22 -0.75 0.00 0.00 0.00 174.94 174.31 1jjj s LYS 55 N 1.05 4.16 -0.61 2.79 2.20 -0.61 -2.01 119.74 126.70 1jjj s LYS 55 Ca -0.01 -0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.33 1jjj s LYS 55 Cb -0.20 -3.48 0.15 0.00 -1.51 0.00 0.00 37.83 32.78 1jjj s LYS 55 CO -0.06 0.14 0.59 0.99 -0.36 0.00 0.00 175.35 176.65 1jjj s THR 56 N 0.80 5.24 -0.73 3.43 2.01 0.52 -0.78 115.64 126.13 1jjj s THR 56 Ca 0.11 -1.65 -0.21 0.00 0.31 0.00 0.00 61.69 60.26 1jjj s THR 56 Cb -0.13 -4.39 0.09 0.00 0.01 0.00 0.00 72.50 68.08 1jjj s THR 56 CO 0.03 -0.94 0.98 -1.61 -0.69 0.00 0.00 174.62 172.39 1jjj s GLU 57 N 1.44 3.24 0.09 4.92 2.02 -0.16 -2.76 118.70 127.49 1jjj s GLU 57 Ca 0.07 -1.15 0.03 0.00 0.02 0.00 0.00 54.97 53.94 1jjj s GLU 57 Cb -0.25 -4.43 -0.04 0.00 0.10 0.00 0.00 34.13 29.51 1jjj s GLU 57 CO 0.01 -1.77 0.12 -1.54 0.02 0.00 0.00 175.26 172.09 1jjj s SER 58 N 3.67 5.71 0.00 -0.19 1.04 -1.08 -0.61 113.70 122.24 1jjj s SER 58 Ca 0.24 0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.65 1jjj s SER 58 Cb -0.14 -1.58 -0.23 0.00 0.10 0.00 0.00 66.02 64.17 1jjj s SER 58 CO 0.04 0.15 3.21 0.35 0.98 0.00 0.00 173.24 177.98 1jjj n THR 59 N 0.29 2.64 0.00 2.02 -2.24 -0.63 -3.67 114.28 112.69 1jjj n THR 59 Ca -0.08 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.41 1jjj n THR 59 Cb 0.52 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 1jjj n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jjj n LEU 60 N 2.47 0.00 -4.37 3.22 4.77 -1.26 -4.85 117.00 116.98 1jjj n LEU 60 Ca 0.36 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.15 1jjj n LEU 60 Cb 0.80 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.79 1jjj n LEU 60 CO 0.12 0.00 -0.28 -0.75 -1.33 0.00 0.00 177.39 175.15 1jjj s LYS 61 N 0.00 1.48 -0.02 3.23 2.20 -1.24 -5.18 119.74 120.21 1jjj s LYS 61 Ca 0.00 -1.80 -0.15 0.00 -0.36 0.00 0.00 55.97 53.67 1jjj s LYS 61 Cb 0.00 -0.60 0.02 0.00 -1.51 0.00 0.00 37.83 35.75 1jjj s LYS 61 CO 0.00 -0.19 0.31 0.99 -0.36 0.00 0.00 175.35 176.10 1jjj s THR 62 N -3.48 0.05 -0.18 3.43 2.01 -1.26 -2.62 115.64 113.59 1jjj s THR 62 Ca 0.35 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.75 1jjj s THR 62 Cb 0.08 -0.61 0.05 0.00 0.01 0.00 0.00 72.50 72.03 1jjj s THR 62 CO 0.13 -0.24 0.47 -0.89 -0.69 0.00 0.00 174.62 173.40 1jjj s THR 63 N -1.21 -0.00 -0.04 -0.82 2.01 -1.11 -4.93 115.64 109.54 1jjj s THR 63 Ca -0.13 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1jjj s THR 63 Cb -0.05 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.83 1jjj s THR 63 CO 0.04 0.00 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.34 1jjj s GLN 64 N 0.31 0.78 -0.06 4.92 0.74 -1.26 -0.35 119.66 124.73 1jjj s GLN 64 Ca -0.00 -0.13 -0.11 0.00 0.05 0.00 0.00 55.36 55.17 1jjj s GLN 64 Cb -0.03 -0.78 0.02 0.00 1.10 0.00 0.00 33.01 33.32 1jjj s GLN 64 CO -0.00 -0.04 0.27 -0.59 -0.55 0.00 0.00 175.29 174.38 1jjj s PHE 65 N 0.72 -0.21 -0.50 1.67 -0.12 -0.85 -5.01 117.98 113.67 1jjj s PHE 65 Ca -0.10 0.45 -0.16 0.00 -0.05 0.00 0.00 56.93 57.08 1jjj s PHE 65 Cb -0.13 0.08 0.10 0.00 -0.63 0.00 0.00 43.02 42.44 1jjj s PHE 65 CO 0.00 -0.25 0.44 -1.54 -0.05 0.00 0.00 175.22 173.83 1jjj s SER 66 N -0.57 6.17 -0.16 1.98 1.04 -1.26 -0.74 113.70 120.16 1jjj s SER 66 Ca -0.07 -1.52 -0.24 0.00 0.48 0.00 0.00 55.95 54.61 1jjj s SER 66 Cb -0.04 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 1jjj s SER 66 CO 0.02 -0.74 0.77 0.00 0.98 0.00 0.00 173.24 174.27 1jjj s THR 68 N 1.87 4.08 -0.24 0.00 2.01 -1.26 -1.03 115.64 121.07 1jjj s THR 68 Ca 0.36 1.05 -0.28 0.00 0.31 0.00 0.00 61.69 63.13 1jjj s THR 68 Cb -0.17 -4.61 0.01 0.00 0.01 0.00 0.00 72.50 67.74 1jjj s THR 68 CO 0.13 -1.13 0.99 -0.22 -0.69 0.00 0.00 174.62 173.70 1jjj s LEU 69 N 4.82 4.08 -0.49 4.42 2.96 0.45 -2.66 118.68 132.26 1jjj s LEU 69 Ca 0.47 1.25 -0.00 0.00 -0.22 0.00 0.00 54.13 55.63 1jjj s LEU 69 Cb -0.08 -3.45 -0.00 0.00 0.50 0.00 0.00 46.19 43.16 1jjj s LEU 69 CO 0.29 -0.66 0.41 0.61 -1.32 0.00 0.00 176.35 175.68 1jjj n GLY 70 N 3.50 0.11 0.00 7.98 0.00 0.83 -4.86 105.19 112.75 1jjj n GLY 70 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1jjj n GLY 70 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jjj n GLU 71 N -2.27 0.00 -3.44 1.61 0.00 -1.09 -5.04 120.64 110.41 1jjj n GLU 71 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.75 1jjj n GLU 71 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.97 1jjj n GLU 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1jjj s LYS 72 N -2.00 3.64 0.09 5.31 -2.85 -1.26 -2.51 119.74 120.16 1jjj s LYS 72 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 55.97 54.92 1jjj s LYS 72 Cb 0.00 -2.70 -0.03 0.00 -2.06 0.00 0.00 37.83 33.04 1jjj s LYS 72 CO 0.00 0.29 0.06 -0.59 0.10 0.00 0.00 175.35 175.21 1jjj s PHE 73 N -1.96 0.52 -0.55 1.78 -0.71 -0.80 -4.89 117.98 111.36 1jjj s PHE 73 Ca 0.43 -0.99 -0.27 0.00 -1.04 0.00 0.00 56.93 55.06 1jjj s PHE 73 Cb -0.11 -0.32 0.03 0.00 -1.21 0.00 0.00 43.02 41.42 1jjj s PHE 73 CO 0.28 -0.48 1.12 -2.00 -1.34 0.00 0.00 175.22 172.80 1jjj s GLU 74 N -3.94 3.51 0.27 1.99 2.12 -1.26 -0.70 118.70 120.69 1jjj s GLU 74 Ca 0.12 0.19 -0.22 0.00 0.36 0.00 0.00 54.97 55.42 1jjj s GLU 74 Cb 0.07 -4.00 -0.09 0.00 0.26 0.00 0.00 34.13 30.37 1jjj s GLU 74 CO -0.07 -1.57 0.82 -2.00 -0.54 0.00 0.00 175.26 171.90 1jjj s GLU 75 N 4.61 4.37 -0.21 4.30 -6.30 -0.10 -4.95 118.70 120.41 1jjj s GLU 75 Ca 0.41 1.05 -0.03 0.00 -2.50 0.00 0.00 54.97 53.89 1jjj s GLU 75 Cb -0.08 -2.80 -0.00 0.00 0.00 0.00 0.00 34.13 31.24 1jjj s GLU 75 CO 0.25 0.32 -0.07 0.99 0.02 0.00 0.00 175.26 176.78 1jjj s THR 76 N -1.60 3.19 0.66 -1.70 2.01 -1.26 -0.86 115.64 116.07 1jjj s THR 76 Ca 0.47 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.76 1jjj s THR 76 Cb -0.17 -2.44 -0.00 0.00 0.01 0.00 0.00 72.50 69.90 1jjj s THR 76 CO 0.22 0.44 1.13 0.42 -0.69 0.00 0.00 174.62 176.14 1jjj s THR 77 N 1.40 3.04 0.54 -0.82 -4.23 -0.24 -4.96 115.64 110.37 1jjj s THR 77 Ca 0.05 0.51 0.24 0.00 -1.18 0.00 0.00 61.69 61.31 1jjj s THR 77 Cb -0.14 -3.05 0.36 0.00 1.34 0.00 0.00 72.50 71.01 1jjj s THR 77 CO -0.04 -0.27 2.04 0.00 -0.54 0.00 0.00 174.62 175.81 1jjj h ALA 78 N 0.13 2.26 -0.10 3.99 0.00 -1.91 -3.04 119.26 120.60 1jjj h ALA 78 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1jjj h ALA 78 Cb 1.26 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1jjj h ALA 78 CO 0.54 -0.46 -0.06 -0.44 0.00 0.00 0.00 179.25 178.83 1jjj h ASP 79 N 0.00 0.22 0.00 0.00 3.32 -1.98 -3.49 116.42 114.49 1jjj h ASP 79 Ca 0.17 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1jjj h ASP 79 Cb 0.72 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1jjj h ASP 79 CO -0.00 0.60 0.00 0.61 -1.72 0.00 0.00 179.24 178.73 1jjj n GLY 80 N 0.06 2.09 3.77 2.75 0.00 -1.15 -5.10 105.19 107.61 1jjj n GLY 80 Ca -0.07 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 4.06 -0.14 1.61 0.52 -1.26 -4.79 118.95 118.95 1jjj s ARG 81 Ca 0.00 2.35 -0.02 0.00 -0.52 0.00 0.00 55.73 57.53 1jjj s ARG 81 Cb 0.00 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1jjj s ARG 81 CO 0.00 -0.49 -0.07 0.15 0.02 0.00 0.00 175.30 174.92 1jjj s LYS 82 N -2.12 3.50 -0.03 3.54 1.02 -1.26 -1.08 119.74 123.31 1jjj s LYS 82 Ca 0.54 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 56.00 1jjj s LYS 82 Cb -0.42 -2.80 -0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1jjj s LYS 82 CO 0.56 0.28 -0.14 0.95 -0.92 0.00 0.00 175.35 176.08 1jjj s THR 83 N 0.23 1.17 -0.64 2.17 -4.23 -0.04 -4.77 115.64 109.53 1jjj s THR 83 Ca -0.04 -0.59 -0.25 0.00 -1.18 0.00 0.00 61.69 59.62 1jjj s THR 83 Cb -0.14 -1.01 0.04 0.00 1.34 0.00 0.00 72.50 72.73 1jjj s THR 83 CO 0.04 0.34 1.09 -1.10 -0.54 0.00 0.00 174.62 174.45 1jjj s GLN 84 N -0.00 3.27 -0.32 3.99 -1.52 0.37 -0.93 119.66 124.52 1jjj s GLN 84 Ca -0.01 -0.30 -0.04 0.00 -1.95 0.00 0.00 55.36 53.06 1jjj s GLN 84 Cb -0.09 -4.13 0.05 0.00 -0.22 0.00 0.00 33.01 28.62 1jjj s GLN 84 CO 0.01 -1.80 0.06 0.99 -0.25 0.00 0.00 175.29 174.30 1jjj s THR 85 N 4.69 3.40 -0.23 -0.19 2.01 0.13 -1.77 115.64 123.67 1jjj s THR 85 Ca 0.32 -1.27 -0.23 0.00 0.31 0.00 0.00 61.69 60.82 1jjj s THR 85 Cb -0.11 -2.94 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 1jjj s THR 85 CO 0.17 -0.16 0.74 0.54 -0.69 0.00 0.00 174.62 175.23 1jjj s VAL 86 N 1.33 4.91 -0.21 3.82 0.11 -0.92 -1.91 120.40 127.52 1jjj s VAL 86 Ca -0.03 1.39 -0.05 0.00 -2.93 0.00 0.00 61.98 60.36 1jjj s VAL 86 Cb -0.20 -4.04 -0.02 0.00 -1.53 0.00 0.00 36.38 30.59 1jjj s VAL 86 CO 0.01 -0.01 0.01 0.00 -3.33 0.00 0.00 175.10 171.78 1jjj s ASN 88 N 1.23 1.38 -0.39 0.00 0.01 -0.63 -0.12 114.94 116.42 1jjj s ASN 88 Ca 0.03 -0.17 -0.20 0.00 -0.71 0.00 0.00 52.86 51.81 1jjj s ASN 88 Cb -0.15 -0.57 0.01 0.00 0.41 0.00 0.00 41.25 40.96 1jjj s ASN 88 CO 0.01 -0.07 0.62 0.12 -1.51 0.00 0.00 177.10 176.26 1jjj s PHE 89 N 1.18 3.11 -0.88 2.20 5.36 -1.26 -0.79 117.98 126.90 1jjj s PHE 89 Ca -0.06 0.12 -0.10 0.00 -0.96 0.00 0.00 56.93 55.92 1jjj s PHE 89 Cb -0.14 -3.20 0.23 0.00 -0.34 0.00 0.00 43.02 39.57 1jjj s PHE 89 CO -0.01 -0.73 0.81 -0.08 -1.46 0.00 0.00 175.22 173.74 1jjj s THR 90 N 2.70 5.32 -0.22 0.12 -1.32 -0.16 -4.92 115.64 117.16 1jjj s THR 90 Ca 0.22 -2.91 -0.01 0.00 -1.21 0.00 0.00 61.69 57.78 1jjj s THR 90 Cb -0.14 -4.28 0.00 0.00 -1.51 0.00 0.00 72.50 66.57 1jjj s THR 90 CO 0.17 -1.05 0.16 -0.67 -2.21 0.00 0.00 174.62 171.02 1jjj n ASP 91 N 3.43 -1.31 0.00 8.08 2.03 -1.26 -2.50 116.55 125.02 1jjj n ASP 91 Ca 0.16 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1jjj n ASP 91 Cb 0.43 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.75 3.40 3.22 0.27 0.00 -1.26 -5.11 105.19 104.97 1jjj n GLY 92 Ca -0.08 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 2.59 -0.50 4.61 0.00 -1.04 -3.46 121.76 123.96 1jjj s ALA 93 Ca 0.00 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.55 1jjj s ALA 93 Cb 0.00 -1.47 0.04 0.00 0.00 0.00 0.00 23.12 21.69 1jjj s ALA 93 CO 0.00 -0.40 0.75 -1.17 0.00 0.00 0.00 175.76 174.94 1jjj s LEU 94 N 1.39 4.50 -0.44 0.00 2.96 -0.10 -0.99 118.68 126.01 1jjj s LEU 94 Ca 0.05 -0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 53.25 1jjj s LEU 94 Cb -0.14 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.88 1jjj s LEU 94 CO -0.08 -0.98 0.60 -0.69 -1.32 0.00 0.00 176.35 173.88 1jjj s VAL 95 N 3.18 4.88 -0.49 1.68 1.01 0.03 -0.98 120.40 129.71 1jjj s VAL 95 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 1jjj s VAL 95 Cb -0.15 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.11 1jjj s VAL 95 CO 0.17 -0.56 0.60 -1.58 0.00 0.00 0.00 175.10 173.73 1jjj s GLN 96 N 2.67 3.13 -0.47 2.72 0.74 -0.47 -1.61 119.66 126.37 1jjj s GLN 96 Ca 0.20 -0.84 -0.15 0.00 0.05 0.00 0.00 55.36 54.62 1jjj s GLN 96 Cb -0.15 -4.07 0.08 0.00 1.10 0.00 0.00 33.01 29.97 1jjj s GLN 96 CO 0.18 -1.16 0.39 -1.58 -0.55 0.00 0.00 175.29 172.58 1jjj s HIS 97 N 2.56 3.25 -0.45 1.67 5.65 -0.39 -1.50 115.29 126.08 1jjj s HIS 97 Ca 0.15 -0.97 -0.16 0.00 0.25 0.00 0.00 55.06 54.34 1jjj s HIS 97 Cb -0.19 -3.19 0.05 0.00 -1.18 0.00 0.00 32.58 28.07 1jjj s HIS 97 CO 0.13 -0.81 0.37 -0.65 -0.65 0.00 0.00 174.74 173.13 1jjj s GLN 98 N 1.63 2.99 -0.26 2.88 -1.52 0.08 -2.17 119.66 123.30 1jjj s GLN 98 Ca 0.04 -1.17 -0.10 0.00 -1.95 0.00 0.00 55.36 52.18 1jjj s GLN 98 Cb -0.24 -4.06 -0.04 0.00 -0.22 0.00 0.00 33.01 28.44 1jjj s GLN 98 CO 0.06 -0.92 0.14 -1.21 -0.25 0.00 0.00 175.29 173.11 1jjj s GLU 99 N 1.72 3.88 -0.13 2.91 0.41 -0.73 -1.96 118.70 124.79 1jjj s GLU 99 Ca 0.05 -0.36 -0.07 0.00 -0.41 0.00 0.00 54.97 54.18 1jjj s GLU 99 Cb -0.22 -3.51 0.05 0.00 -1.78 0.00 0.00 34.13 28.67 1jjj s GLU 99 CO 0.09 -0.12 0.32 1.67 -0.49 0.00 0.00 175.26 176.72 1jjj s TRP 100 N 1.53 -0.45 -1.53 1.61 -2.14 -0.77 -0.48 118.94 116.70 1jjj s TRP 100 Ca 0.07 1.01 -0.13 0.00 2.66 0.00 0.00 56.10 59.71 1jjj s TRP 100 Cb -0.15 0.14 0.09 0.00 -3.10 0.00 0.00 33.47 30.45 1jjj s TRP 100 CO 0.07 -0.28 0.93 -0.25 -2.66 0.00 0.00 176.95 174.76 1jjj n ASP 101 N 4.26 -4.28 -2.34 -2.66 8.00 -1.26 -1.16 116.55 117.11 1jjj n ASP 101 Ca -0.24 -0.81 -0.19 0.00 0.71 0.00 0.00 54.79 54.26 1jjj n ASP 101 Cb 0.54 -3.76 0.01 0.00 -0.02 0.00 0.00 41.12 37.88 1jjj n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 102 N -1.66 -0.38 2.80 0.44 0.00 -1.26 -5.05 105.19 100.08 1jjj n GLY 102 Ca 0.01 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.19 0.54 -0.07 1.61 1.02 -0.31 -5.15 119.74 112.18 1jjj s LYS 103 Ca 0.12 0.08 -0.04 0.00 0.02 0.00 0.00 55.97 56.14 1jjj s LYS 103 Cb -0.05 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.42 1jjj s LYS 103 CO 0.14 -0.22 0.13 -1.83 -0.92 0.00 0.00 175.35 172.65 1jjj s GLU 104 N 1.56 3.33 -0.08 1.68 -1.05 -1.26 -1.85 118.70 121.04 1jjj s GLU 104 Ca -0.02 -0.27 0.03 0.00 -0.15 0.00 0.00 54.97 54.57 1jjj s GLU 104 Cb -0.13 -3.07 0.01 0.00 -0.44 0.00 0.00 34.13 30.50 1jjj s GLU 104 CO -0.03 0.72 -0.17 0.45 0.95 0.00 0.00 175.26 177.18 1jjj s SER 105 N -1.37 2.31 -0.33 0.83 0.15 -0.83 -4.60 113.70 109.86 1jjj s SER 105 Ca 0.19 -0.40 -0.03 0.00 0.70 0.00 0.00 55.95 56.41 1jjj s SER 105 Cb -0.12 -1.02 0.06 0.00 -1.71 0.00 0.00 66.02 63.23 1jjj s SER 105 CO 0.09 0.09 0.07 0.42 1.20 0.00 0.00 173.24 175.12 1jjj s THR 106 N 0.47 3.25 -0.47 6.45 -4.23 -0.35 -0.74 115.64 120.03 1jjj s THR 106 Ca -0.15 -1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 1jjj s THR 106 Cb -0.16 -2.93 0.10 0.00 1.34 0.00 0.00 72.50 70.85 1jjj s THR 106 CO 0.06 -0.24 0.36 -0.63 -0.54 0.00 0.00 174.62 173.62 1jjj s ILE 107 N 1.27 4.52 -0.68 2.99 -1.09 -0.56 -1.07 121.20 126.58 1jjj s ILE 107 Ca -0.02 -1.53 -0.17 0.00 -2.23 0.00 0.00 60.65 56.70 1jjj s ILE 107 Cb -0.20 -3.87 0.15 0.00 -1.58 0.00 0.00 42.46 36.95 1jjj s ILE 107 CO -0.01 -0.69 0.71 -0.89 -1.23 0.00 0.00 174.94 172.83 1jjj s THR 108 N 1.46 5.14 -0.45 2.92 2.01 -0.87 -1.36 115.64 124.49 1jjj s THR 108 Ca 0.04 -1.61 -0.24 0.00 0.31 0.00 0.00 61.69 60.19 1jjj s THR 108 Cb -0.26 -4.47 0.03 0.00 0.01 0.00 0.00 72.50 67.81 1jjj s THR 108 CO 0.02 -1.06 0.83 -0.13 -0.69 0.00 0.00 174.62 173.58 1jjj s ARG 109 N 1.67 3.46 0.03 4.92 0.52 -0.15 -1.40 118.95 128.00 1jjj s ARG 109 Ca 0.13 0.00 0.03 0.00 -0.52 0.00 0.00 55.73 55.37 1jjj s ARG 109 Cb -0.20 -3.93 -0.02 0.00 0.52 0.00 0.00 34.95 31.32 1jjj s ARG 109 CO -0.00 -1.14 -0.09 -1.59 0.02 0.00 0.00 175.30 172.50 1jjj s LYS 110 N 3.44 0.59 -0.35 3.54 -2.85 -0.51 -0.92 119.74 122.68 1jjj s LYS 110 Ca 0.32 -0.59 -0.23 0.00 -1.00 0.00 0.00 55.97 54.47 1jjj s LYS 110 Cb -0.11 -0.48 0.01 0.00 -2.06 0.00 0.00 37.83 35.18 1jjj s LYS 110 CO 0.24 0.11 0.78 -1.17 0.10 0.00 0.00 175.35 175.41 1jjj s LEU 111 N -1.06 4.13 -0.17 2.77 1.98 -1.22 -0.87 118.68 124.23 1jjj s LEU 111 Ca -0.04 0.39 -0.01 0.00 -2.89 0.00 0.00 54.13 51.58 1jjj s LEU 111 Cb -0.07 -3.02 0.05 0.00 0.66 0.00 0.00 46.19 43.80 1jjj s LEU 111 CO 0.00 -0.71 -0.01 -0.54 -1.89 0.00 0.00 176.35 173.21 1jjj s LYS 112 N 3.06 1.04 -1.56 1.98 1.02 -0.21 -4.87 119.74 120.21 1jjj s LYS 112 Ca 0.31 -0.44 -0.04 0.00 0.02 0.00 0.00 55.97 55.82 1jjj s LYS 112 Cb -0.13 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 1jjj s LYS 112 CO 0.16 -0.51 0.52 -3.47 -0.92 0.00 0.00 175.35 171.13 1jjj n ASP 113 N 4.96 -6.03 0.00 2.83 2.03 -1.26 -1.75 116.55 117.33 1jjj n ASP 113 Ca -0.10 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 54.96 1jjj n ASP 113 Cb 0.47 -4.87 0.00 0.00 -0.72 0.00 0.00 41.12 36.01 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 -1.45 0.25 3.64 0.27 0.00 -1.26 -5.05 105.19 101.59 1jjj n GLY 114 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1jjj n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 115 N -1.02 2.72 -0.65 1.61 3.01 -0.72 -4.08 119.74 120.62 1jjj s LYS 115 Ca 0.00 -0.62 -0.25 0.00 -1.01 0.00 0.00 55.97 54.09 1jjj s LYS 115 Cb 0.00 -2.62 0.04 0.00 -1.01 0.00 0.00 37.83 34.25 1jjj s LYS 115 CO 0.00 0.63 1.09 -1.17 0.51 0.00 0.00 175.35 176.41 1jjj s LEU 116 N -1.34 3.81 -0.38 3.17 2.96 -0.12 -1.04 118.68 125.74 1jjj s LEU 116 Ca 0.17 -0.51 -0.17 0.00 -0.22 0.00 0.00 54.13 53.40 1jjj s LEU 116 Cb -0.11 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 43.91 1jjj s LEU 116 CO 0.07 -1.52 0.43 -0.69 -1.32 0.00 0.00 176.35 173.32 1jjj s VAL 117 N 4.68 5.10 -0.64 1.68 1.01 -0.05 -1.52 120.40 130.65 1jjj s VAL 117 Ca 0.31 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 1jjj s VAL 117 Cb -0.12 -3.96 0.16 0.00 0.00 0.00 0.00 36.38 32.47 1jjj s VAL 117 CO 0.16 -0.29 0.58 -0.69 0.00 0.00 0.00 175.10 174.86 1jjj s VAL 118 N 2.15 5.19 -0.75 2.92 1.01 0.14 -1.42 120.40 129.64 1jjj s VAL 118 Ca 0.13 -1.95 -0.18 0.00 0.00 0.00 0.00 61.98 59.98 1jjj s VAL 118 Cb -0.17 -4.29 0.13 0.00 0.00 0.00 0.00 36.38 32.06 1jjj s VAL 118 CO 0.13 -0.92 0.87 -1.61 0.00 0.00 0.00 175.10 173.58 1jjj s GLU 119 N 0.97 3.34 0.18 2.72 2.02 -0.49 -1.30 118.70 126.14 1jjj s GLU 119 Ca 0.09 -1.66 -0.09 0.00 0.02 0.00 0.00 54.97 53.33 1jjj s GLU 119 Cb -0.22 -4.51 -0.07 0.00 0.10 0.00 0.00 34.13 29.44 1jjj s GLU 119 CO -0.02 -1.59 0.49 0.00 0.02 0.00 0.00 175.26 174.17 1jjj s VAL 121 N -1.67 -0.07 -0.00 0.00 0.11 -0.24 -1.50 120.40 117.03 1jjj s VAL 121 Ca 0.43 0.24 -0.09 0.00 -2.93 0.00 0.00 61.98 59.63 1jjj s VAL 121 Cb -0.12 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.58 1jjj s VAL 121 CO 0.21 0.10 0.68 -0.03 -3.33 0.00 0.00 175.10 172.73 1jjj h MET 122 N 7.45 -0.30 0.00 1.54 4.05 -1.63 -0.90 114.93 125.14 1jjj h MET 122 Ca -0.41 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1jjj h MET 122 Cb 1.12 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 1jjj h MET 122 CO 0.43 -0.20 0.00 0.27 0.23 0.00 0.00 176.91 177.64 1jjj n ASN 123 N -3.35 0.00 0.05 1.39 0.23 -1.26 -4.49 115.26 107.82 1jjj n ASN 123 Ca -0.04 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.81 1jjj n ASN 123 Cb 0.12 0.06 -0.14 0.00 -2.08 0.00 0.00 39.78 37.74 1jjj n ASN 123 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1jjj h ASN 124 N 0.00 0.49 -3.36 0.53 -0.73 -2.00 -3.49 115.58 107.02 1jjj h ASN 124 Ca 0.00 -0.82 -0.56 0.00 1.87 0.00 0.00 56.30 56.79 1jjj h ASN 124 Cb 0.00 -0.16 -0.06 0.00 0.27 0.00 0.00 38.32 38.37 1jjj h ASN 124 CO 0.00 1.70 0.16 -0.69 -0.37 0.00 0.00 177.43 178.23 1jjj s VAL 125 N -2.58 5.00 0.20 2.57 1.01 -1.26 -5.06 120.40 120.29 1jjj s VAL 125 Ca -0.16 1.49 0.07 0.00 0.00 0.00 0.00 61.98 63.39 1jjj s VAL 125 Cb 0.06 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1jjj s VAL 125 CO 0.83 0.19 0.04 0.42 0.00 0.00 0.00 175.10 176.59 1jjj s THR 126 N 1.14 3.85 -0.04 3.92 -4.23 -1.26 -1.81 115.64 117.22 1jjj s THR 126 Ca 0.38 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1jjj s THR 126 Cb -0.18 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.69 1jjj s THR 126 CO 0.17 -0.20 -0.09 0.00 -0.54 0.00 0.00 174.62 173.96 1jjj s THR 128 N 0.42 3.89 -0.26 0.00 2.01 -0.27 -1.03 115.64 120.41 1jjj s THR 128 Ca -0.07 -2.10 -0.09 0.00 0.31 0.00 0.00 61.69 59.74 1jjj s THR 128 Cb -0.11 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1jjj s THR 128 CO 0.01 -0.78 0.13 -0.13 -0.69 0.00 0.00 174.62 173.17 1jjj s ARG 129 N 1.00 3.84 -0.21 4.92 0.52 -0.42 -3.31 118.95 125.28 1jjj s ARG 129 Ca 0.09 -0.38 -0.14 0.00 -0.52 0.00 0.00 55.73 54.77 1jjj s ARG 129 Cb -0.23 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 1jjj s ARG 129 CO -0.03 -0.15 0.33 0.42 0.02 0.00 0.00 175.30 175.90 1jjj s ILE 130 N 1.60 5.24 -0.14 1.52 1.09 -0.97 -0.69 121.20 128.86 1jjj s ILE 130 Ca 0.07 0.56 0.03 0.00 -1.10 0.00 0.00 60.65 60.20 1jjj s ILE 130 Cb -0.15 -3.67 0.01 0.00 -1.06 0.00 0.00 42.46 37.59 1jjj s ILE 130 CO 0.07 0.28 -0.22 -0.31 -0.10 0.00 0.00 174.94 174.66 1jjj s TYR 131 N 1.25 2.66 0.07 3.97 1.51 -0.57 -1.22 117.35 125.03 1jjj s TYR 131 Ca 0.16 -1.29 -0.12 0.00 -1.01 0.00 0.00 57.07 54.81 1jjj s TYR 131 Cb -0.14 -1.81 -0.06 0.00 -0.11 0.00 0.00 41.96 39.84 1jjj s TYR 131 CO 0.07 -0.58 0.43 -1.83 -1.11 0.00 0.00 175.55 172.53 1jjj s GLU 132 N 0.76 3.84 -0.16 -0.62 -1.05 -0.14 -0.94 118.70 120.39 1jjj s GLU 132 Ca -0.08 0.29 -0.29 0.00 -0.15 0.00 0.00 54.97 54.74 1jjj s GLU 132 Cb -0.16 -3.05 -0.02 0.00 -0.44 0.00 0.00 34.13 30.47 1jjj s GLU 132 CO -0.00 0.58 1.28 0.21 0.95 0.00 0.00 175.26 178.28 1jjj s LYS 133 N -1.68 4.23 -0.92 -4.83 2.20 -1.26 -0.68 119.74 116.81 1jjj s LYS 133 Ca 0.31 1.69 -0.16 0.00 -0.36 0.00 0.00 55.97 57.45 1jjj s LYS 133 Cb -0.15 -3.77 0.17 0.00 -1.51 0.00 0.00 37.83 32.57 1jjj s LYS 133 CO 0.17 -0.71 1.01 0.08 -0.36 0.00 0.00 175.35 175.55 1jjj s VAL 134 N 3.49 5.11 0.00 4.02 1.01 0.11 -4.99 120.40 129.15 1jjj s VAL 134 Ca 0.56 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.51 1jjj s VAL 134 Cb -0.22 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.49 1jjj s VAL 134 CO 0.16 -1.33 0.00 -1.84 0.00 0.00 0.00 175.10 172.09