#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 1.13 -0.32 2.28 3.04 -1.99 -2.06 116.25 118.33 1jjj h VAL 4 Ca 0.00 -0.51 -0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1jjj h VAL 4 Cb 0.00 1.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.28 1jjj h VAL 4 CO 0.00 0.17 0.18 1.56 -1.01 0.00 0.00 177.57 178.47 1jjj h GLN 5 N 0.26 0.43 -0.30 4.17 4.20 -1.98 -2.84 115.11 119.05 1jjj h GLN 5 Ca 0.06 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1jjj h GLN 5 Cb 0.21 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1jjj h GLN 5 CO 0.01 0.31 0.00 1.96 -0.67 0.00 0.00 178.83 180.44 1jjj h GLN 6 N 0.44 0.46 0.00 1.46 4.20 -1.83 -2.64 115.11 117.19 1jjj h GLN 6 Ca 0.12 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1jjj h GLN 6 Cb -0.00 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1jjj h GLN 6 CO -0.02 0.48 0.00 1.28 -0.67 0.00 0.00 178.83 179.90 1jjj n LEU 7 N -4.31 0.00 -4.67 1.46 4.77 -1.07 -4.88 117.00 108.30 1jjj n LEU 7 Ca 0.01 0.20 -0.43 0.00 -0.03 0.00 0.00 56.01 55.77 1jjj n LEU 7 Cb 0.22 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1jjj n LEU 7 CO 0.38 -0.12 0.90 -0.70 -1.33 0.00 0.00 177.39 176.52 1jjj s GLU 8 N -2.41 4.31 0.00 3.23 -6.30 -1.00 -4.67 118.70 111.87 1jjj s GLU 8 Ca 0.14 1.43 0.00 0.00 -2.50 0.00 0.00 54.97 54.04 1jjj s GLU 8 Cb 0.08 -3.62 0.00 0.00 0.00 0.00 0.00 34.13 30.59 1jjj s GLU 8 CO 0.17 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.33 1jjj n GLY 9 N 3.29 -2.79 3.48 -1.50 0.00 -0.68 -5.01 105.19 101.99 1jjj n GLY 9 Ca 0.11 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.96 3.17 -0.36 1.61 3.52 -1.18 -1.36 118.95 122.40 1jjj s ARG 10 Ca 0.00 -0.67 -0.06 0.00 -0.13 0.00 0.00 55.73 54.87 1jjj s ARG 10 Cb 0.00 -4.02 0.06 0.00 -1.56 0.00 0.00 34.95 29.43 1jjj s ARG 10 CO 0.00 -1.07 0.14 -1.58 -0.81 0.00 0.00 175.30 171.98 1jjj s TRP 11 N 2.60 3.32 -0.11 5.12 0.52 -0.03 -0.47 118.94 129.90 1jjj s TRP 11 Ca 0.17 -1.62 -0.18 0.00 0.02 0.00 0.00 56.10 54.49 1jjj s TRP 11 Cb -0.17 -2.53 -0.04 0.00 -1.15 0.00 0.00 33.47 29.58 1jjj s TRP 11 CO 0.15 -0.80 0.48 0.50 0.02 0.00 0.00 176.95 177.30 1jjj s ARG 12 N 1.36 4.32 0.08 4.98 3.52 -0.50 -0.42 118.95 132.29 1jjj s ARG 12 Ca 0.00 0.46 -0.31 0.00 -0.13 0.00 0.00 55.73 55.75 1jjj s ARG 12 Cb -0.21 -3.42 -0.09 0.00 -1.56 0.00 0.00 34.95 29.68 1jjj s ARG 12 CO 0.01 0.20 1.67 -1.17 -0.81 0.00 0.00 175.30 175.20 1jjj s LEU 13 N 0.49 4.37 0.17 -0.88 2.96 -1.04 -1.05 118.68 123.70 1jjj s LEU 13 Ca 0.26 2.53 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 1jjj s LEU 13 Cb -0.15 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1jjj s LEU 13 CO 0.11 -0.90 0.00 1.33 -1.32 0.00 0.00 176.35 175.57 1jjj n VAL 14 N 4.66 0.81 -4.14 1.68 0.24 -0.95 -4.70 118.33 115.93 1jjj n VAL 14 Ca 0.16 0.27 -0.35 0.00 -2.04 0.00 0.00 64.34 62.37 1jjj n VAL 14 Cb 0.40 -1.22 -0.09 0.00 -1.47 0.00 0.00 33.84 31.47 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 -5.66 5.65 -0.34 -1.34 2.15 -1.21 -5.00 116.67 110.91 1jjj s ASP 15 Ca 0.00 0.21 0.02 0.00 0.43 0.00 0.00 52.55 53.21 1jjj s ASP 15 Cb 0.00 -1.77 0.15 0.00 -0.30 0.00 0.00 42.92 41.00 1jjj s ASP 15 CO 0.00 0.33 0.35 -0.94 -0.17 0.00 0.00 175.17 174.75 1jjj s SER 16 N -0.58 1.28 -0.20 -0.34 1.04 -1.26 -1.00 113.70 112.64 1jjj s SER 16 Ca 0.11 -1.29 -0.08 0.00 0.48 0.00 0.00 55.95 55.16 1jjj s SER 16 Cb -0.12 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1jjj s SER 16 CO 0.02 -0.30 0.09 -1.59 0.98 0.00 0.00 173.24 172.44 1jjj s LYS 17 N 1.75 4.03 0.00 4.02 -2.85 -1.06 -4.32 119.74 121.30 1jjj s LYS 17 Ca 0.14 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.80 1jjj s LYS 17 Cb -0.15 -3.31 0.00 0.00 -2.06 0.00 0.00 37.83 32.31 1jjj s LYS 17 CO -0.13 0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.96 1jjj n GLY 18 N 3.68 1.12 0.08 0.59 0.00 -1.26 -1.58 105.19 107.83 1jjj n GLY 18 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.06 -0.96 1.61 3.57 -1.82 -1.45 116.94 117.82 1jjj h PHE 19 Ca 0.00 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1jjj h PHE 19 Cb 0.00 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.68 1jjj h PHE 19 CO 0.00 0.47 0.61 0.22 -2.23 0.00 0.00 178.31 177.37 1jjj h ASP 20 N -0.65 0.74 -0.06 0.41 3.58 -1.95 -0.57 116.42 117.93 1jjj h ASP 20 Ca -0.01 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1jjj h ASP 20 Cb 0.56 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1jjj h ASP 20 CO 0.01 0.34 0.03 -0.33 -2.88 0.00 0.00 179.24 176.41 1jjj h GLU 21 N 0.76 0.09 -0.64 0.28 4.39 -1.94 -0.43 114.58 117.09 1jjj h GLU 21 Ca 0.51 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.28 1jjj h GLU 21 Cb 0.77 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.33 1jjj h GLU 21 CO -0.27 0.19 0.28 -0.92 -1.16 0.00 0.00 179.01 177.13 1jjj h TYR 22 N -0.04 0.49 -0.76 4.33 3.20 -1.11 -1.72 116.97 121.36 1jjj h TYR 22 Ca 0.02 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.97 1jjj h TYR 22 Cb 0.14 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 1jjj h TYR 22 CO -0.03 0.15 0.47 0.52 -1.64 0.00 0.00 178.16 177.63 1jjj h MET 23 N 0.48 0.86 -0.33 1.82 2.86 -0.99 -0.15 114.93 119.47 1jjj h MET 23 Ca 0.32 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.96 1jjj h MET 23 Cb 0.37 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 1jjj h MET 23 CO -0.29 0.57 0.04 0.87 1.06 0.00 0.00 176.91 179.16 1jjj h LYS 24 N 0.89 0.14 -0.63 1.72 1.57 -0.94 -1.39 116.57 117.93 1jjj h LYS 24 Ca 0.32 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1jjj h LYS 24 Cb 0.09 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1jjj h LYS 24 CO -0.14 0.09 0.39 1.49 -0.57 0.00 0.00 179.45 180.71 1jjj h GLU 25 N 0.15 0.86 -0.93 3.15 4.81 -1.04 -3.07 114.58 118.50 1jjj h GLU 25 Ca 0.16 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.43 1jjj h GLU 25 Cb 0.19 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.32 1jjj h GLU 25 CO -0.23 0.61 0.60 -0.07 -0.73 0.00 0.00 179.01 179.18 1jjj h LEU 26 N 0.86 0.82 -0.31 1.64 3.38 -1.03 -3.48 115.31 117.19 1jjj h LEU 26 Ca 0.23 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1jjj h LEU 26 Cb -0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1jjj h LEU 26 CO -0.04 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1jjj n GLY 27 N -1.39 0.74 3.51 0.83 0.00 -0.97 -5.11 105.19 102.80 1jjj n GLY 27 Ca 0.17 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1jjj n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jjj s VAL 28 N -1.76 4.87 0.96 1.61 1.01 -0.56 -5.03 120.40 121.49 1jjj s VAL 28 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 1jjj s VAL 28 Cb 0.00 -3.36 0.16 0.00 0.00 0.00 0.00 36.38 33.18 1jjj s VAL 28 CO 0.00 0.21 1.09 -0.83 0.00 0.00 0.00 175.10 175.57 1jjj s GLY 29 N 1.68 1.61 0.13 4.51 0.00 -1.26 -4.60 107.32 109.39 1jjj s GLY 29 Ca 0.06 0.01 -0.19 0.00 0.00 0.00 0.00 44.72 44.60 1jjj s GLY 29 CO 0.08 0.54 1.74 -2.22 0.00 0.00 0.00 173.10 173.24 1jjj h ILE 30 N -1.83 0.92 -0.71 0.90 5.03 -1.99 0.25 117.51 120.09 1jjj h ILE 30 Ca -0.51 -0.05 -0.01 0.00 -0.12 0.00 0.00 64.86 64.18 1jjj h ILE 30 Cb 1.29 0.78 -0.03 0.00 -3.03 0.00 0.00 36.82 35.83 1jjj h ILE 30 CO 0.52 0.02 0.42 0.00 -0.68 0.00 0.00 178.15 178.43 1jjj h ALA 31 N 1.14 0.91 -0.78 1.87 0.00 -1.99 -1.89 119.26 118.52 1jjj h ALA 31 Ca 0.09 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jjj h ALA 31 Cb 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1jjj h ALA 31 CO -0.11 0.39 0.51 -0.07 0.00 0.00 0.00 179.25 179.96 1jjj h LEU 32 N 0.97 0.86 0.01 0.00 3.38 -1.82 -0.94 115.31 117.76 1jjj h LEU 32 Ca 0.25 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1jjj h LEU 32 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1jjj h LEU 32 CO -0.05 0.61 -0.10 0.03 0.09 0.00 0.00 178.44 179.03 1jjj h ARG 33 N 1.01 -0.17 0.08 1.13 3.08 -0.45 0.30 114.38 119.36 1jjj h ARG 33 Ca 0.29 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.38 1jjj h ARG 33 Cb -0.07 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1jjj h ARG 33 CO -0.08 -0.11 -0.26 -0.22 -1.07 0.00 0.00 179.97 178.23 1jjj h LYS 34 N -0.17 -0.42 0.11 0.04 3.64 -1.31 -1.89 116.57 116.56 1jjj h LYS 34 Ca 0.04 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1jjj h LYS 34 Cb 0.22 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1jjj h LYS 34 CO -0.10 -0.28 -0.39 1.98 -2.27 0.00 0.00 179.45 178.39 1jjj h MET 35 N -0.44 -0.60 -0.94 1.90 4.05 -1.18 -1.80 114.93 115.93 1jjj h MET 35 Ca 0.04 0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.57 1jjj h MET 35 Cb 0.49 0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 31.36 1jjj h MET 35 CO -0.18 -0.40 0.59 0.78 0.23 0.00 0.00 176.91 177.94 1jjj h GLY 36 N -0.62 1.43 0.68 1.39 0.00 -0.97 -1.23 103.07 103.75 1jjj h GLY 36 Ca 0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1jjj h GLY 36 CO -0.24 0.28 -0.06 0.00 0.00 0.00 0.00 176.54 176.52 1jjj h ALA 37 N 1.44 -0.16 -0.01 3.60 0.00 -1.37 -3.38 119.26 119.39 1jjj h ALA 37 Ca 0.42 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1jjj h ALA 37 Cb 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jjj h ALA 37 CO -0.19 -0.43 -0.63 0.00 0.00 0.00 0.00 179.25 178.00 1jjj h MET 38 N -0.49 0.03 -0.93 0.00 3.00 -1.29 -3.35 114.93 111.89 1jjj h MET 38 Ca -0.02 -0.02 0.03 0.00 0.00 0.00 0.00 59.70 59.69 1jjj h MET 38 Cb 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 31.60 31.95 1jjj h MET 38 CO 0.03 0.65 0.61 0.00 0.00 0.00 0.00 176.91 178.20 1jjj h ALA 39 N 1.34 1.22 -6.33 -3.00 0.00 -1.39 -3.49 119.26 107.62 1jjj h ALA 39 Ca -0.01 -0.05 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 1jjj h ALA 39 Cb 1.12 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.60 1jjj h ALA 39 CO 0.08 0.49 -0.80 0.36 0.00 0.00 0.00 179.25 179.39 1jjj n LYS 40 N -4.48 -1.27 -2.35 0.00 2.85 -1.26 -4.91 118.16 106.73 1jjj n LYS 40 Ca 0.12 0.77 -0.32 0.00 -1.05 0.00 0.00 58.31 57.83 1jjj n LYS 40 Cb 0.08 -3.56 -0.03 0.00 -0.65 0.00 0.00 35.03 30.87 1jjj n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1jjj s PRO 41 N -5.03 3.90 -0.79 -1.58 0.04 -1.26 -4.32 135.00 125.96 1jjj s PRO 41 Ca 0.18 0.95 -0.26 0.00 0.04 0.00 0.00 61.00 61.91 1jjj s PRO 41 Cb -0.07 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1jjj s PRO 41 CO 0.86 -0.31 1.28 -0.51 0.04 0.00 0.00 177.00 178.36 1jjj s ASP 42 N -3.14 6.23 -0.57 6.66 1.11 -0.62 -2.50 116.67 123.85 1jjj s ASP 42 Ca 0.59 -0.71 -0.21 0.00 0.18 0.00 0.00 52.55 52.40 1jjj s ASP 42 Cb -0.10 -2.55 0.07 0.00 1.07 0.00 0.00 42.92 41.41 1jjj s ASP 42 CO 0.33 -1.73 0.80 0.00 1.18 0.00 0.00 175.17 175.75 1jjj s ILE 44 N 3.31 4.20 -0.35 0.00 1.01 0.10 -0.85 121.20 128.63 1jjj s ILE 44 Ca 0.20 1.23 -0.15 0.00 0.00 0.00 0.00 60.65 61.93 1jjj s ILE 44 Cb -0.18 -4.60 -0.01 0.00 0.01 0.00 0.00 42.46 37.69 1jjj s ILE 44 CO 0.12 -1.00 0.33 -0.63 0.00 0.00 0.00 174.94 173.77 1jjj s ILE 45 N 4.47 5.20 -0.10 2.92 1.01 -0.46 -1.42 121.20 132.81 1jjj s ILE 45 Ca 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 61.05 1jjj s ILE 45 Cb -0.07 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.62 1jjj s ILE 45 CO 0.32 -0.10 -0.00 -0.89 0.00 0.00 0.00 174.94 174.27 1jjj s THR 46 N 1.94 0.48 -0.18 2.92 2.01 -0.55 -1.68 115.64 120.58 1jjj s THR 46 Ca 0.10 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.04 1jjj s THR 46 Cb -0.17 -0.70 0.03 0.00 0.01 0.00 0.00 72.50 71.67 1jjj s THR 46 CO 0.11 0.17 -0.16 0.00 -0.69 0.00 0.00 174.62 174.05 1jjj n ASP 48 N 4.66 8.26 0.00 0.00 8.00 -0.99 -4.87 116.55 131.61 1jjj n ASP 48 Ca -0.18 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.40 1jjj n ASP 48 Cb 0.49 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 1jjj n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 49 N 2.47 1.01 0.14 0.44 0.00 -1.26 -4.03 105.19 103.96 1jjj n GLY 49 Ca 0.68 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 46.49 1jjj n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jjj n LYS 50 N 0.00 0.61 -2.56 1.61 4.76 -1.26 -4.88 118.16 116.44 1jjj n LYS 50 Ca 0.00 0.22 -0.42 0.00 -2.87 0.00 0.00 58.31 55.24 1jjj n LYS 50 Cb 0.00 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.66 1jjj n LYS 50 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jjj s ASN 51 N -7.13 6.39 -0.38 4.39 4.22 -1.26 -0.46 114.94 120.71 1jjj s ASN 51 Ca -0.37 0.05 -0.14 0.00 -2.14 0.00 0.00 52.86 50.26 1jjj s ASN 51 Cb 0.13 -2.55 0.01 0.00 1.28 0.00 0.00 41.25 40.11 1jjj s ASN 51 CO 0.53 -1.54 0.27 -0.22 -2.04 0.00 0.00 177.10 174.10 1jjj s LEU 52 N 5.12 4.88 -0.32 3.54 0.20 -0.08 -2.35 118.68 129.66 1jjj s LEU 52 Ca 0.43 -0.77 -0.17 0.00 0.69 0.00 0.00 54.13 54.30 1jjj s LEU 52 Cb -0.08 -2.13 -0.01 0.00 -0.43 0.00 0.00 46.19 43.54 1jjj s LEU 52 CO 0.24 -0.38 0.48 -0.89 -0.29 0.00 0.00 176.35 175.52 1jjj s THR 53 N 1.67 5.06 -0.42 3.68 2.01 0.07 -0.73 115.64 126.98 1jjj s THR 53 Ca 0.05 0.44 -0.09 0.00 0.31 0.00 0.00 61.69 62.39 1jjj s THR 53 Cb -0.19 -3.90 0.08 0.00 0.01 0.00 0.00 72.50 68.51 1jjj s THR 53 CO 0.10 -0.11 0.26 -0.63 -0.69 0.00 0.00 174.62 173.55 1jjj s ILE 54 N 2.31 4.27 -0.44 1.82 1.01 -0.13 -1.48 121.20 128.56 1jjj s ILE 54 Ca 0.18 -1.38 -0.10 0.00 0.00 0.00 0.00 60.65 59.35 1jjj s ILE 54 Cb -0.16 -3.61 0.09 0.00 0.01 0.00 0.00 42.46 38.79 1jjj s ILE 54 CO 0.12 -0.51 0.30 -0.75 0.00 0.00 0.00 174.94 174.11 1jjj s LYS 55 N 1.43 2.66 -0.64 2.79 2.20 -0.51 -1.60 119.74 126.07 1jjj s LYS 55 Ca 0.03 -1.50 -0.22 0.00 -0.36 0.00 0.00 55.97 53.93 1jjj s LYS 55 Cb -0.23 -3.88 0.08 0.00 -1.51 0.00 0.00 37.83 32.29 1jjj s LYS 55 CO 0.02 -1.01 0.92 0.99 -0.36 0.00 0.00 175.35 175.91 1jjj s THR 56 N 1.46 4.41 -0.40 3.43 2.01 0.88 -0.72 115.64 126.71 1jjj s THR 56 Ca 0.04 -0.46 -0.17 0.00 0.31 0.00 0.00 61.69 61.40 1jjj s THR 56 Cb -0.24 -4.65 0.01 0.00 0.01 0.00 0.00 72.50 67.64 1jjj s THR 56 CO 0.02 -1.39 0.46 -1.61 -0.69 0.00 0.00 174.62 171.41 1jjj s GLU 57 N 3.81 3.29 0.02 4.92 0.41 -0.45 -1.41 118.70 129.30 1jjj s GLU 57 Ca 0.20 -0.55 -0.12 0.00 -0.41 0.00 0.00 54.97 54.09 1jjj s GLU 57 Cb -0.18 -3.91 0.01 0.00 -1.78 0.00 0.00 34.13 28.28 1jjj s GLU 57 CO 0.10 -0.77 0.26 -1.54 -0.49 0.00 0.00 175.26 172.81 1jjj s SER 58 N 1.81 -0.09 0.17 -0.19 1.04 -1.12 -1.58 113.70 113.73 1jjj s SER 58 Ca 0.14 -0.17 -0.14 0.00 0.48 0.00 0.00 55.95 56.27 1jjj s SER 58 Cb -0.16 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.33 1jjj s SER 58 CO 0.14 -0.53 1.76 0.71 0.98 0.00 0.00 173.24 176.30 1jjj h THR 59 N 3.55 1.19 -0.76 2.02 1.35 -1.96 -3.02 112.91 115.28 1jjj h THR 59 Ca -0.31 -0.51 -0.02 0.00 -0.55 0.00 0.00 66.41 65.02 1jjj h THR 59 Cb 1.19 0.54 -0.04 0.00 -1.73 0.00 0.00 68.15 68.12 1jjj h THR 59 CO 0.45 0.21 0.39 -0.07 -0.25 0.00 0.00 175.52 176.25 1jjj h LEU 60 N 0.72 0.97 -6.80 3.87 3.38 -1.97 -3.43 115.31 112.06 1jjj h LEU 60 Ca 0.19 -0.12 -0.31 0.00 0.09 0.00 0.00 57.88 57.73 1jjj h LEU 60 Cb 0.08 -0.25 -0.36 0.00 0.09 0.00 0.00 40.66 40.23 1jjj h LEU 60 CO -0.03 0.81 -0.62 -0.75 0.09 0.00 0.00 178.44 177.94 1jjj s LYS 61 N -5.78 0.19 -0.23 1.13 2.47 -1.19 -5.04 119.74 111.29 1jjj s LYS 61 Ca -0.13 0.24 -0.04 0.00 -1.56 0.00 0.00 55.97 54.49 1jjj s LYS 61 Cb 0.15 -1.13 -0.00 0.00 -1.46 0.00 0.00 37.83 35.39 1jjj s LYS 61 CO 0.81 -0.63 -0.04 0.99 0.16 0.00 0.00 175.35 176.63 1jjj s THR 62 N 2.33 3.28 0.01 3.43 2.01 -1.14 -2.81 115.64 122.74 1jjj s THR 62 Ca 0.07 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1jjj s THR 62 Cb -0.16 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.82 1jjj s THR 62 CO -0.12 0.36 -0.01 0.42 -0.69 0.00 0.00 174.62 174.58 1jjj s THR 63 N 1.45 0.06 -0.02 -0.82 -4.23 -0.50 -5.00 115.64 106.58 1jjj s THR 63 Ca 0.05 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1jjj s THR 63 Cb -0.15 -0.10 0.02 0.00 1.34 0.00 0.00 72.50 73.61 1jjj s THR 63 CO -0.03 -0.12 0.01 -1.58 -0.54 0.00 0.00 174.62 172.35 1jjj s GLN 64 N -0.39 0.09 -0.03 3.99 0.74 -1.26 -0.08 119.66 122.72 1jjj s GLN 64 Ca -0.04 0.08 -0.10 0.00 0.05 0.00 0.00 55.36 55.35 1jjj s GLN 64 Cb -0.03 -0.25 0.01 0.00 1.10 0.00 0.00 33.01 33.84 1jjj s GLN 64 CO -0.00 -0.09 0.22 -0.59 -0.55 0.00 0.00 175.29 174.27 1jjj s PHE 65 N 0.68 -0.10 -0.41 1.67 -0.12 -0.63 -5.02 117.98 114.05 1jjj s PHE 65 Ca -0.06 0.19 -0.10 0.00 -0.05 0.00 0.00 56.93 56.91 1jjj s PHE 65 Cb -0.09 0.03 0.06 0.00 -0.63 0.00 0.00 43.02 42.40 1jjj s PHE 65 CO -0.02 -0.28 0.26 -1.54 -0.05 0.00 0.00 175.22 173.60 1jjj s SER 66 N -0.97 5.71 -0.20 1.98 1.04 -1.26 -0.95 113.70 119.04 1jjj s SER 66 Ca -0.10 -1.35 -0.16 0.00 0.48 0.00 0.00 55.95 54.81 1jjj s SER 66 Cb -0.05 -2.01 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 1jjj s SER 66 CO 0.02 -0.51 0.39 0.00 0.98 0.00 0.00 173.24 174.13 1jjj s THR 68 N 1.31 4.51 0.07 0.00 2.01 -1.26 -0.91 115.64 121.38 1jjj s THR 68 Ca 0.19 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.70 1jjj s THR 68 Cb -0.15 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.14 1jjj s THR 68 CO 0.08 -0.06 1.05 -0.22 -0.69 0.00 0.00 174.62 174.78 1jjj s LEU 69 N 2.61 4.42 -1.13 4.42 2.96 0.39 -2.43 118.68 129.92 1jjj s LEU 69 Ca 0.51 1.85 -0.05 0.00 -0.22 0.00 0.00 54.13 56.22 1jjj s LEU 69 Cb -0.20 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.91 1jjj s LEU 69 CO 0.16 -0.26 0.67 0.61 -1.32 0.00 0.00 176.35 176.21 1jjj n GLY 70 N 2.69 -0.22 3.47 7.98 0.00 0.11 -4.98 105.19 114.24 1jjj n GLY 70 Ca 0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1jjj n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jjj s GLU 71 N -5.69 1.14 -0.22 1.61 -6.30 -1.02 -5.00 118.70 103.22 1jjj s GLU 71 Ca 0.33 -0.15 -0.05 0.00 -2.50 0.00 0.00 54.97 52.60 1jjj s GLU 71 Cb -0.15 0.53 -0.02 0.00 0.00 0.00 0.00 34.13 34.50 1jjj s GLU 71 CO 0.41 -0.45 -0.01 0.21 0.02 0.00 0.00 175.26 175.45 1jjj s LYS 72 N -2.62 3.51 0.29 4.30 2.20 -1.26 -2.61 119.74 123.54 1jjj s LYS 72 Ca -0.04 -0.56 0.10 0.00 -0.36 0.00 0.00 55.97 55.11 1jjj s LYS 72 Cb -0.01 -3.09 -0.06 0.00 -1.51 0.00 0.00 37.83 33.17 1jjj s LYS 72 CO -0.03 -0.13 -0.14 -0.59 -0.36 0.00 0.00 175.35 174.10 1jjj s PHE 73 N 1.35 2.21 -0.53 4.03 -0.71 -0.89 -4.89 117.98 118.55 1jjj s PHE 73 Ca 0.04 -0.46 -0.28 0.00 -1.04 0.00 0.00 56.93 55.19 1jjj s PHE 73 Cb -0.15 -1.10 0.01 0.00 -1.21 0.00 0.00 43.02 40.58 1jjj s PHE 73 CO -0.00 0.57 1.43 -2.00 -1.34 0.00 0.00 175.22 173.88 1jjj s GLU 74 N -3.59 3.34 -0.32 1.99 2.12 -1.26 -1.04 118.70 119.95 1jjj s GLU 74 Ca 0.30 0.57 -0.20 0.00 0.36 0.00 0.00 54.97 56.00 1jjj s GLU 74 Cb -0.01 -4.11 -0.01 0.00 0.26 0.00 0.00 34.13 30.26 1jjj s GLU 74 CO 0.14 -1.88 0.61 -2.00 -0.54 0.00 0.00 175.26 171.59 1jjj s GLU 75 N 5.42 3.82 -0.84 4.30 2.12 -0.15 -4.96 118.70 128.40 1jjj s GLU 75 Ca 0.55 0.18 -0.21 0.00 0.36 0.00 0.00 54.97 55.84 1jjj s GLU 75 Cb -0.11 -3.75 0.09 0.00 0.26 0.00 0.00 34.13 30.61 1jjj s GLU 75 CO 0.27 -0.61 1.14 0.99 -0.54 0.00 0.00 175.26 176.51 1jjj s THR 76 N 2.59 4.39 0.78 -1.70 2.01 -1.26 -1.16 115.64 121.29 1jjj s THR 76 Ca 0.24 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 1jjj s THR 76 Cb -0.15 -4.81 0.06 0.00 0.01 0.00 0.00 72.50 67.62 1jjj s THR 76 CO 0.13 -1.59 1.10 0.42 -0.69 0.00 0.00 174.62 173.98 1jjj s THR 77 N 3.75 3.21 0.32 -0.82 -4.23 -0.62 -4.91 115.64 112.35 1jjj s THR 77 Ca 0.32 0.40 0.08 0.00 -1.18 0.00 0.00 61.69 61.31 1jjj s THR 77 Cb -0.08 -2.84 0.34 0.00 1.34 0.00 0.00 72.50 71.26 1jjj s THR 77 CO -0.01 -0.51 1.63 0.00 -0.54 0.00 0.00 174.62 175.18 1jjj h ALA 78 N -1.18 1.59 -0.11 3.99 0.00 -1.96 -1.50 119.26 120.09 1jjj h ALA 78 Ca -0.43 0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1jjj h ALA 78 Cb 1.23 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1jjj h ALA 78 CO 0.50 -0.60 -0.70 -0.44 0.00 0.00 0.00 179.25 178.02 1jjj h ASP 79 N 0.17 0.56 0.00 0.00 3.32 -1.96 -3.49 116.42 115.02 1jjj h ASP 79 Ca 0.66 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1jjj h ASP 79 Cb 1.47 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1jjj h ASP 79 CO -0.71 1.09 0.00 0.61 -1.72 0.00 0.00 179.24 178.51 1jjj n GLY 80 N 0.51 0.81 3.72 2.75 0.00 -0.56 -5.13 105.19 107.29 1jjj n GLY 80 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 4.40 -0.46 1.61 0.52 -1.26 -4.76 118.95 119.00 1jjj s ARG 81 Ca 0.00 1.92 -0.28 0.00 -0.52 0.00 0.00 55.73 56.85 1jjj s ARG 81 Cb 0.00 -3.28 0.03 0.00 0.52 0.00 0.00 34.95 32.22 1jjj s ARG 81 CO 0.00 -0.28 1.05 0.15 0.02 0.00 0.00 175.30 176.24 1jjj s LYS 82 N 0.72 3.68 -0.14 3.54 -0.14 -1.26 -1.58 119.74 124.56 1jjj s LYS 82 Ca 0.59 0.44 0.00 0.00 -1.36 0.00 0.00 55.97 55.65 1jjj s LYS 82 Cb -0.33 -3.90 -0.01 0.00 -1.68 0.00 0.00 37.83 31.91 1jjj s LYS 82 CO 0.32 -1.29 -0.14 0.95 -0.76 0.00 0.00 175.35 174.43 1jjj s THR 83 N 4.14 2.90 -0.94 2.17 -4.23 -0.31 -4.70 115.64 114.67 1jjj s THR 83 Ca 0.44 -0.71 -0.24 0.00 -1.18 0.00 0.00 61.69 60.00 1jjj s THR 83 Cb -0.09 -2.22 0.04 0.00 1.34 0.00 0.00 72.50 71.57 1jjj s THR 83 CO 0.29 0.52 1.47 -1.10 -0.54 0.00 0.00 174.62 175.26 1jjj s GLN 84 N 0.53 3.39 -0.36 3.99 -1.52 0.49 -0.98 119.66 125.21 1jjj s GLN 84 Ca -0.09 -0.83 -0.15 0.00 -1.95 0.00 0.00 55.36 52.35 1jjj s GLN 84 Cb -0.16 -5.07 -0.01 0.00 -0.22 0.00 0.00 33.01 27.55 1jjj s GLN 84 CO 0.04 -2.32 0.33 0.99 -0.25 0.00 0.00 175.29 174.08 1jjj s THR 85 N 5.69 5.20 -0.31 -0.19 2.01 -0.20 -2.23 115.64 125.61 1jjj s THR 85 Ca 0.46 -0.13 -0.19 0.00 0.31 0.00 0.00 61.69 62.14 1jjj s THR 85 Cb -0.03 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 1jjj s THR 85 CO -0.03 -0.12 0.57 0.54 -0.69 0.00 0.00 174.62 174.88 1jjj s VAL 86 N 1.92 4.98 -0.36 3.82 0.11 -0.64 -2.09 120.40 128.15 1jjj s VAL 86 Ca 0.10 0.70 -0.13 0.00 -2.93 0.00 0.00 61.98 59.72 1jjj s VAL 86 Cb -0.17 -3.96 0.00 0.00 -1.53 0.00 0.00 36.38 30.73 1jjj s VAL 86 CO 0.11 -0.12 0.24 0.00 -3.33 0.00 0.00 175.10 172.00 1jjj s ASN 88 N 1.66 2.72 -0.07 0.00 0.01 -0.38 0.06 114.94 118.95 1jjj s ASN 88 Ca 0.05 -0.50 -0.22 0.00 -0.71 0.00 0.00 52.86 51.48 1jjj s ASN 88 Cb -0.18 -1.24 -0.04 0.00 0.41 0.00 0.00 41.25 40.20 1jjj s ASN 88 CO 0.09 0.05 0.62 0.12 -1.51 0.00 0.00 177.10 176.47 1jjj s PHE 89 N 0.88 3.57 -0.21 2.20 5.36 -1.26 -0.58 117.98 127.95 1jjj s PHE 89 Ca -0.08 1.14 -0.04 0.00 -0.96 0.00 0.00 56.93 56.99 1jjj s PHE 89 Cb -0.15 -2.71 0.08 0.00 -0.34 0.00 0.00 43.02 39.89 1jjj s PHE 89 CO -0.01 0.14 0.13 -0.08 -1.46 0.00 0.00 175.22 173.94 1jjj s THR 90 N 0.64 -0.14 -0.79 0.12 -1.32 -0.03 -5.00 115.64 109.12 1jjj s THR 90 Ca 0.33 -0.28 -0.02 0.00 -1.21 0.00 0.00 61.69 60.52 1jjj s THR 90 Cb -0.17 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 1jjj s THR 90 CO 0.16 -0.36 0.63 -0.67 -2.21 0.00 0.00 174.62 172.16 1jjj n ASP 91 N 5.28 -5.61 0.00 8.08 2.03 -1.26 -2.26 116.55 122.81 1jjj n ASP 91 Ca -0.06 -0.71 0.00 0.00 0.52 0.00 0.00 54.79 54.54 1jjj n ASP 91 Cb 0.48 -2.59 0.00 0.00 -0.72 0.00 0.00 41.12 38.29 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 -1.62 0.77 2.97 0.27 0.00 -1.26 -4.93 105.19 101.40 1jjj n GLY 92 Ca -0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.30 1.24 -0.45 4.61 0.00 -0.96 -2.25 121.76 120.65 1jjj s ALA 93 Ca 0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 1jjj s ALA 93 Cb 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.48 1jjj s ALA 93 CO 0.00 -0.08 0.60 -1.17 0.00 0.00 0.00 175.76 175.11 1jjj s LEU 94 N 1.04 4.69 -0.48 0.00 2.96 -0.24 -0.85 118.68 125.79 1jjj s LEU 94 Ca -0.08 -0.56 -0.22 0.00 -0.22 0.00 0.00 54.13 53.06 1jjj s LEU 94 Cb -0.15 -2.58 0.04 0.00 0.50 0.00 0.00 46.19 44.00 1jjj s LEU 94 CO -0.01 -0.77 0.74 -0.69 -1.32 0.00 0.00 176.35 174.30 1jjj s VAL 95 N 2.64 4.69 -0.58 1.68 1.01 0.25 -0.95 120.40 129.16 1jjj s VAL 95 Ca 0.19 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.10 1jjj s VAL 95 Cb -0.16 -4.33 0.14 0.00 0.00 0.00 0.00 36.38 32.03 1jjj s VAL 95 CO 0.16 -0.80 0.52 -1.58 0.00 0.00 0.00 175.10 173.40 1jjj s GLN 96 N 3.15 3.01 -0.50 2.72 0.74 -0.04 -1.25 119.66 127.49 1jjj s GLN 96 Ca 0.24 -1.84 -0.15 0.00 0.05 0.00 0.00 55.36 53.66 1jjj s GLN 96 Cb -0.14 -4.26 0.10 0.00 1.10 0.00 0.00 33.01 29.80 1jjj s GLN 96 CO 0.18 -1.30 0.43 -1.58 -0.55 0.00 0.00 175.29 172.47 1jjj s HIS 97 N 1.33 3.25 -0.46 1.67 2.46 -0.54 -1.37 115.29 121.62 1jjj s HIS 97 Ca 0.06 -1.10 -0.15 0.00 0.47 0.00 0.00 55.06 54.34 1jjj s HIS 97 Cb -0.26 -3.41 0.06 0.00 -0.13 0.00 0.00 32.58 28.84 1jjj s HIS 97 CO 0.01 -0.89 0.38 -0.65 -2.47 0.00 0.00 174.74 171.12 1jjj s GLN 98 N 1.62 2.97 -0.19 2.88 -0.21 0.35 -1.61 119.66 125.46 1jjj s GLN 98 Ca 0.04 -1.30 -0.05 0.00 0.02 0.00 0.00 55.36 54.07 1jjj s GLN 98 Cb -0.26 -4.10 -0.03 0.00 1.00 0.00 0.00 33.01 29.62 1jjj s GLN 98 CO 0.05 -0.98 -0.00 -1.21 -2.12 0.00 0.00 175.29 171.03 1jjj s GLU 99 N 1.64 3.66 -0.18 2.91 2.02 -0.95 -1.37 118.70 126.43 1jjj s GLU 99 Ca 0.04 -0.51 -0.19 0.00 0.02 0.00 0.00 54.97 54.34 1jjj s GLU 99 Cb -0.23 -3.06 0.05 0.00 0.10 0.00 0.00 34.13 30.99 1jjj s GLU 99 CO 0.07 0.08 0.53 1.67 0.02 0.00 0.00 175.26 177.62 1jjj s TRP 100 N 0.83 -0.56 -1.46 1.61 -2.14 -0.75 -0.38 118.94 116.08 1jjj s TRP 100 Ca 0.01 1.34 -0.07 0.00 2.66 0.00 0.00 56.10 60.04 1jjj s TRP 100 Cb -0.14 0.20 0.05 0.00 -3.10 0.00 0.00 33.47 30.48 1jjj s TRP 100 CO 0.02 -0.30 0.73 -3.47 -2.66 0.00 0.00 176.95 171.26 1jjj n ASP 101 N 2.62 -2.38 -1.10 -2.66 2.03 -1.26 -0.65 116.55 113.14 1jjj n ASP 101 Ca -0.14 -0.89 -0.14 0.00 0.52 0.00 0.00 54.79 54.14 1jjj n ASP 101 Cb 0.56 -3.54 -0.06 0.00 -0.72 0.00 0.00 41.12 37.36 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 -1.69 1.49 3.04 0.27 0.00 -1.26 -5.04 105.19 102.00 1jjj n GLY 102 Ca -0.14 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.21 0.47 0.08 1.61 1.02 0.17 -5.17 119.74 114.71 1jjj s LYS 103 Ca 0.00 -0.72 0.08 0.00 0.02 0.00 0.00 55.97 55.35 1jjj s LYS 103 Cb 0.00 -0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.09 1jjj s LYS 103 CO 0.00 0.02 -0.22 -1.83 -0.92 0.00 0.00 175.35 172.41 1jjj s GLU 104 N -1.56 1.29 -0.18 1.68 -1.05 -1.26 -1.82 118.70 115.81 1jjj s GLU 104 Ca -0.11 -1.08 0.00 0.00 -0.15 0.00 0.00 54.97 53.63 1jjj s GLU 104 Cb -0.10 -1.51 0.04 0.00 -0.44 0.00 0.00 34.13 32.12 1jjj s GLU 104 CO 0.00 0.37 -0.09 0.45 0.95 0.00 0.00 175.26 176.94 1jjj s SER 105 N -1.58 3.06 -0.22 0.83 0.15 -0.47 -4.41 113.70 111.07 1jjj s SER 105 Ca 0.08 -0.74 0.01 0.00 0.70 0.00 0.00 55.95 56.00 1jjj s SER 105 Cb -0.09 -1.09 0.05 0.00 -1.71 0.00 0.00 66.02 63.17 1jjj s SER 105 CO 0.03 -0.15 -0.10 -0.89 1.20 0.00 0.00 173.24 173.34 1jjj s THR 106 N 1.51 1.72 -0.23 6.45 2.01 0.50 -0.49 115.64 127.10 1jjj s THR 106 Ca 0.00 -1.15 0.02 0.00 0.31 0.00 0.00 61.69 60.87 1jjj s THR 106 Cb -0.15 -1.83 0.05 0.00 0.01 0.00 0.00 72.50 70.58 1jjj s THR 106 CO -0.08 0.10 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.21 1jjj s ILE 107 N 1.34 1.91 -0.57 1.82 1.01 -0.47 -1.73 121.20 124.52 1jjj s ILE 107 Ca -0.03 -1.34 -0.19 0.00 0.00 0.00 0.00 60.65 59.10 1jjj s ILE 107 Cb -0.17 -2.01 0.10 0.00 0.01 0.00 0.00 42.46 40.38 1jjj s ILE 107 CO -0.07 0.07 0.66 -0.89 0.00 0.00 0.00 174.94 174.70 1jjj s THR 108 N 1.25 4.88 -0.59 2.92 2.01 -0.18 -0.86 115.64 125.07 1jjj s THR 108 Ca -0.05 -0.94 -0.20 0.00 0.31 0.00 0.00 61.69 60.81 1jjj s THR 108 Cb -0.18 -4.42 0.09 0.00 0.01 0.00 0.00 72.50 67.99 1jjj s THR 108 CO -0.07 -1.02 0.75 -0.13 -0.69 0.00 0.00 174.62 173.46 1jjj s ARG 109 N 2.54 3.08 -0.01 4.92 0.52 -0.12 -1.52 118.95 128.36 1jjj s ARG 109 Ca 0.11 -1.12 0.06 0.00 -0.52 0.00 0.00 55.73 54.26 1jjj s ARG 109 Cb -0.24 -4.22 -0.01 0.00 0.52 0.00 0.00 34.95 31.00 1jjj s ARG 109 CO 0.07 -1.54 -0.18 -1.59 0.02 0.00 0.00 175.30 172.08 1jjj s LYS 110 N 2.99 1.42 -0.26 3.54 -2.85 -0.21 -1.08 119.74 123.30 1jjj s LYS 110 Ca 0.15 -0.65 -0.29 0.00 -1.00 0.00 0.00 55.97 54.17 1jjj s LYS 110 Cb -0.22 -1.38 -0.01 0.00 -2.06 0.00 0.00 37.83 34.17 1jjj s LYS 110 CO 0.08 0.38 1.32 -1.17 0.10 0.00 0.00 175.35 176.06 1jjj s LEU 111 N -0.47 3.97 0.00 2.77 1.98 -0.95 -0.81 118.68 125.16 1jjj s LEU 111 Ca 0.07 1.37 0.00 0.00 -2.89 0.00 0.00 54.13 52.68 1jjj s LEU 111 Cb -0.07 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.24 1jjj s LEU 111 CO -0.01 -1.01 0.00 1.17 -1.89 0.00 0.00 176.35 174.62 1jjj n LYS 112 N 7.15 0.00 -2.29 1.98 3.00 0.04 -4.94 118.16 123.09 1jjj n LYS 112 Ca 0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.04 1jjj n LYS 112 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 1jjj n LYS 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1jjj n ASP 113 N 0.00 6.69 0.00 3.14 8.00 -1.26 -4.36 116.55 128.77 1jjj n ASP 113 Ca 0.00 -3.21 0.00 0.00 0.71 0.00 0.00 54.79 52.29 1jjj n ASP 113 Cb 0.00 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.72 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 114 N 1.92 3.01 3.30 0.44 0.00 -1.26 -5.06 105.19 107.53 1jjj n GLY 114 Ca 0.48 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.34 1jjj n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 115 N -0.25 1.20 -0.33 1.61 1.02 -1.26 -4.78 119.74 116.95 1jjj s LYS 115 Ca 0.00 -1.54 -0.25 0.00 0.02 0.00 0.00 55.97 54.20 1jjj s LYS 115 Cb 0.00 -0.78 0.01 0.00 -0.52 0.00 0.00 37.83 36.54 1jjj s LYS 115 CO 0.00 0.07 0.87 -1.17 -0.92 0.00 0.00 175.35 174.20 1jjj s LEU 116 N -3.24 4.05 -0.26 3.17 2.96 -0.64 -0.78 118.68 123.93 1jjj s LEU 116 Ca 0.21 0.67 -0.18 0.00 -0.22 0.00 0.00 54.13 54.61 1jjj s LEU 116 Cb 0.02 -3.19 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 1jjj s LEU 116 CO 0.04 -0.73 0.54 -0.69 -1.32 0.00 0.00 176.35 174.19 1jjj s VAL 117 N 3.20 5.05 -0.44 1.68 1.01 0.01 -0.92 120.40 130.00 1jjj s VAL 117 Ca 0.36 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 63.21 1jjj s VAL 117 Cb -0.13 -3.85 0.11 0.00 0.00 0.00 0.00 36.38 32.51 1jjj s VAL 117 CO 0.15 0.08 0.27 -0.69 0.00 0.00 0.00 175.10 174.90 1jjj s VAL 118 N 2.32 3.70 -0.54 2.92 1.01 -0.05 -1.04 120.40 128.71 1jjj s VAL 118 Ca 0.22 -1.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.08 1jjj s VAL 118 Cb -0.16 -3.49 0.09 0.00 0.00 0.00 0.00 36.38 32.82 1jjj s VAL 118 CO 0.09 -0.73 0.62 -1.61 0.00 0.00 0.00 175.10 173.47 1jjj s GLU 119 N 1.24 3.06 0.10 2.72 2.02 -0.57 -1.36 118.70 125.91 1jjj s GLU 119 Ca 0.07 -1.20 -0.01 0.00 0.02 0.00 0.00 54.97 53.85 1jjj s GLU 119 Cb -0.24 -4.19 -0.04 0.00 0.10 0.00 0.00 34.13 29.75 1jjj s GLU 119 CO -0.03 -1.34 0.27 0.00 0.02 0.00 0.00 175.26 174.18 1jjj s VAL 121 N -1.59 -0.01 0.00 0.00 0.11 -0.70 -1.57 120.40 116.63 1jjj s VAL 121 Ca 0.36 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 1jjj s VAL 121 Cb -0.12 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1jjj s VAL 121 CO 0.27 0.01 0.00 0.80 -3.33 0.00 0.00 175.10 172.86 1jjj n MET 122 N 3.24 0.00 0.00 1.54 1.56 -1.21 -0.37 117.12 121.89 1jjj n MET 122 Ca -0.16 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.28 1jjj n MET 122 Cb 0.57 -0.18 0.00 0.00 2.15 0.00 0.00 33.22 35.76 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 -1.69 0.00 -0.10 6.12 5.03 -1.26 -4.61 115.26 118.75 1jjj n ASN 123 Ca 0.00 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.34 1jjj n ASN 123 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 39.78 38.61 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 -2.37 0.29 -4.72 6.41 4.13 -1.26 -5.03 115.26 112.71 1jjj n ASN 124 Ca 0.00 -0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.91 1jjj n ASN 124 Cb 0.00 0.77 -0.08 0.00 -1.54 0.00 0.00 39.78 38.93 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1jjj s VAL 125 N -2.50 5.40 0.17 2.41 1.01 -1.26 -5.10 120.40 120.52 1jjj s VAL 125 Ca -0.13 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.12 1jjj s VAL 125 Cb 0.06 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1jjj s VAL 125 CO 0.80 0.43 0.12 0.42 0.00 0.00 0.00 175.10 176.87 1jjj s THR 126 N 0.44 4.39 -0.01 3.92 -4.23 -1.26 -3.28 115.64 115.60 1jjj s THR 126 Ca 0.09 -1.13 0.04 0.00 -1.18 0.00 0.00 61.69 59.51 1jjj s THR 126 Cb -0.11 -3.24 -0.01 0.00 1.34 0.00 0.00 72.50 70.48 1jjj s THR 126 CO -0.01 -0.11 -0.13 0.00 -0.54 0.00 0.00 174.62 173.84 1jjj s THR 128 N -0.21 4.22 -0.20 0.00 2.01 -0.61 -1.15 115.64 119.68 1jjj s THR 128 Ca 0.03 -1.04 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 1jjj s THR 128 Cb -0.06 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1jjj s THR 128 CO -0.00 -0.25 0.02 -0.13 -0.69 0.00 0.00 174.62 173.57 1jjj s ARG 129 N 1.48 3.68 -0.22 4.92 0.52 -0.46 -2.56 118.95 126.31 1jjj s ARG 129 Ca 0.01 -0.48 -0.18 0.00 -0.52 0.00 0.00 55.73 54.55 1jjj s ARG 129 Cb -0.20 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1jjj s ARG 129 CO 0.05 0.02 0.50 0.42 0.02 0.00 0.00 175.30 176.31 1jjj s ILE 130 N 0.99 5.11 -0.19 1.52 -1.09 -0.17 -0.87 121.20 126.50 1jjj s ILE 130 Ca 0.02 0.88 -0.02 0.00 -2.23 0.00 0.00 60.65 59.31 1jjj s ILE 130 Cb -0.14 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1jjj s ILE 130 CO 0.02 0.15 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.49 1jjj s TYR 131 N 1.84 2.90 -0.02 3.97 1.51 -0.10 -2.23 117.35 125.23 1jjj s TYR 131 Ca 0.22 -0.95 -0.16 0.00 -1.01 0.00 0.00 57.07 55.17 1jjj s TYR 131 Cb -0.15 -2.01 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 1jjj s TYR 131 CO 0.09 -0.49 0.43 -1.83 -1.11 0.00 0.00 175.55 172.65 1jjj s GLU 132 N 1.14 4.03 -0.40 -0.62 4.04 -0.22 -1.63 118.70 125.05 1jjj s GLU 132 Ca 0.01 0.44 -0.29 0.00 0.04 0.00 0.00 54.97 55.18 1jjj s GLU 132 Cb -0.14 -3.27 0.02 0.00 0.02 0.00 0.00 34.13 30.75 1jjj s GLU 132 CO -0.02 0.58 1.25 0.21 -1.84 0.00 0.00 175.26 175.44 1jjj s LYS 133 N -0.74 3.76 -0.19 -4.83 2.20 -1.26 -1.40 119.74 117.28 1jjj s LYS 133 Ca 0.24 0.89 -0.07 0.00 -0.36 0.00 0.00 55.97 56.67 1jjj s LYS 133 Cb -0.17 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 1jjj s LYS 133 CO 0.13 -1.32 0.07 0.08 -0.36 0.00 0.00 175.35 173.94 1jjj s VAL 134 N 4.65 4.74 -1.11 4.02 1.01 0.38 -5.02 120.40 129.06 1jjj s VAL 134 Ca 0.54 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.56 1jjj s VAL 134 Cb -0.12 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.19 1jjj s VAL 134 CO 0.28 0.44 0.78 -0.62 0.00 0.00 0.00 175.10 175.98