#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juj n ILE 2 N 0.00 0.12 -0.04 2.02 2.08 -1.26 -4.81 119.36 117.46 3juj n ILE 2 Ca 0.00 -0.20 -0.10 0.00 0.56 0.00 0.00 62.75 63.01 3juj n ILE 2 Cb 0.00 -1.35 -0.15 0.00 -0.75 0.00 0.00 39.64 37.40 3juj n ILE 2 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3juj n LYS 3 N 8.08 0.65 -4.28 0.38 3.00 -1.26 -4.11 118.16 120.61 3juj n LYS 3 Ca 0.46 0.21 -0.33 0.00 -0.00 0.00 0.00 58.31 58.66 3juj n LYS 3 Cb 0.16 -1.71 -0.09 0.00 0.00 0.00 0.00 35.03 33.39 3juj n LYS 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3juj s LYS 4 N -2.57 2.79 -0.08 1.64 1.02 -1.26 -0.96 119.74 120.32 3juj s LYS 4 Ca -0.07 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.32 3juj s LYS 4 Cb 0.07 -2.67 0.02 0.00 -0.52 0.00 0.00 37.83 34.73 3juj s LYS 4 CO 0.82 0.63 -0.11 0.00 -0.92 0.00 0.00 175.35 175.77 3juj s LEU 6 N 1.04 4.05 -0.39 0.00 1.98 0.13 -1.22 118.68 124.28 3juj s LEU 6 Ca -0.07 0.10 -0.08 0.00 -2.89 0.00 0.00 54.13 51.18 3juj s LEU 6 Cb -0.15 -2.19 0.06 0.00 0.66 0.00 0.00 46.19 44.58 3juj s LEU 6 CO -0.01 -0.05 0.19 -0.36 -1.89 0.00 0.00 176.35 174.24 3juj s PHE 7 N 1.62 3.32 -0.32 5.38 0.40 -0.08 -2.07 117.98 126.23 3juj s PHE 7 Ca 0.09 -1.51 -0.29 0.00 -0.60 0.00 0.00 56.93 54.62 3juj s PHE 7 Cb -0.15 -2.69 -0.01 0.00 0.51 0.00 0.00 43.02 40.68 3juj s PHE 7 CO 0.09 -0.80 1.47 -2.14 0.70 0.00 0.00 175.22 174.54 3juj s PRO 8 N 1.41 3.72 -0.10 0.24 0.02 -1.25 -1.71 135.00 137.32 3juj s PRO 8 Ca 0.02 1.27 0.14 0.00 0.02 0.00 0.00 61.00 62.45 3juj s PRO 8 Cb -0.21 -4.00 0.27 0.00 0.02 0.00 0.00 34.50 30.58 3juj s PRO 8 CO 0.02 -1.38 1.13 0.00 -0.33 0.00 0.00 177.00 176.45 3juj n ALA 9 N 8.48 2.54 1.01 -1.55 0.00 0.81 -4.73 120.51 127.07 3juj n ALA 9 Ca 0.17 -2.38 0.13 0.00 0.00 0.00 0.00 53.44 51.36 3juj n ALA 9 Cb 0.47 -0.45 0.36 0.00 0.00 0.00 0.00 19.45 19.83 3juj n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3juj n ALA 10 N -0.78 3.18 -1.22 0.00 0.00 -1.11 -4.00 120.51 116.58 3juj n ALA 10 Ca 0.12 -0.28 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 3juj n ALA 10 Cb 0.73 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 19.00 3juj n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3juj n GLY 11 N 1.49 -2.60 0.06 0.00 0.00 -1.26 -4.67 105.19 98.21 3juj n GLY 11 Ca 0.06 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.82 3juj n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3juj n TYR 12 N -2.09 0.52 -3.51 1.61 4.01 -1.26 -4.77 117.16 111.67 3juj n TYR 12 Ca 0.07 0.15 -0.21 0.00 -0.16 0.00 0.00 57.90 57.75 3juj n TYR 12 Cb 0.50 -0.66 0.08 0.00 -0.31 0.00 0.00 39.34 38.95 3juj n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3juj n GLY 13 N 1.28 -0.45 0.38 2.72 0.00 -1.26 -4.83 105.19 103.04 3juj n GLY 13 Ca 0.00 0.18 0.20 0.00 0.00 0.00 0.00 46.02 46.41 3juj n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3juj h THR 14 N -2.40 0.74 0.00 2.61 2.02 -1.94 0.08 112.91 114.02 3juj h THR 14 Ca -0.55 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 3juj h THR 14 Cb 1.35 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3juj h THR 14 CO 0.52 0.01 -0.13 0.03 0.37 0.00 0.00 175.52 176.32 3juj h ARG 15 N 0.04 0.00 -0.59 6.66 3.08 -1.90 -3.00 114.38 118.67 3juj h ARG 15 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3juj h ARG 15 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3juj h ARG 15 CO -0.01 0.13 0.00 1.19 -1.07 0.00 0.00 179.97 180.20 3juj n PHE 16 N -3.27 1.53 -1.31 3.04 3.01 0.01 -4.88 117.46 115.60 3juj n PHE 16 Ca 0.00 -0.66 -0.33 0.00 1.01 0.00 0.00 57.45 57.47 3juj n PHE 16 Cb 0.38 -0.30 0.10 0.00 -0.01 0.00 0.00 39.48 39.65 3juj n PHE 16 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3juj s LEU 17 N -2.10 3.22 0.18 4.37 2.01 -1.14 -3.02 118.68 122.19 3juj s LEU 17 Ca 0.50 2.27 0.24 0.00 0.01 0.00 0.00 54.13 57.14 3juj s LEU 17 Cb 0.34 -4.58 0.24 0.00 0.01 0.00 0.00 46.19 42.20 3juj s LEU 17 CO 0.21 -2.36 1.26 1.55 1.01 0.00 0.00 176.35 178.02 3juj h PRO 18 N -0.62 0.00 -0.73 1.29 0.13 -1.93 -3.46 132.00 126.68 3juj h PRO 18 Ca -0.46 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.83 3juj h PRO 18 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 3juj h PRO 18 CO 0.49 0.00 0.49 0.97 -0.23 0.00 0.00 178.00 179.72 3juj h ILE 19 N 0.00 0.76 0.00 -3.56 2.10 -1.94 0.19 117.51 115.06 3juj h ILE 19 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 3juj h ILE 19 Cb 0.85 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 3juj h ILE 19 CO 0.00 0.06 0.00 1.07 -1.08 0.00 0.00 178.15 178.20 3juj n THR 20 N -4.45 0.00 0.94 2.19 5.66 -1.17 -1.96 114.28 115.49 3juj n THR 20 Ca 0.14 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.26 3juj n THR 20 Cb 0.59 -0.29 0.23 0.00 -1.55 0.00 0.00 70.33 69.31 3juj n THR 20 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3juj n LYS 21 N -0.56 0.04 0.00 1.09 2.85 0.67 -4.46 118.16 117.79 3juj n LYS 21 Ca 0.02 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 3juj n LYS 21 Cb 0.01 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 3juj n LYS 21 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3juj n THR 22 N -1.58 0.00 -3.63 0.58 -1.04 -0.90 -4.95 114.28 102.77 3juj n THR 22 Ca 0.05 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.68 3juj n THR 22 Cb 0.35 -0.18 -0.11 0.00 -1.82 0.00 0.00 70.33 68.57 3juj n THR 22 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3juj s ILE 23 N -1.21 4.85 0.33 12.58 -1.09 -0.83 -4.83 121.20 131.01 3juj s ILE 23 Ca 0.00 -0.23 -0.29 0.00 -2.23 0.00 0.00 60.65 57.90 3juj s ILE 23 Cb 0.00 -3.42 -0.11 0.00 -1.58 0.00 0.00 42.46 37.35 3juj s ILE 23 CO 0.00 0.12 1.43 -2.16 -1.23 0.00 0.00 174.94 173.10 3juj s PRO 24 N 1.67 4.22 0.25 2.79 0.04 -1.26 -4.17 135.00 138.54 3juj s PRO 24 Ca 0.06 2.41 -0.14 0.00 0.04 0.00 0.00 61.00 63.37 3juj s PRO 24 Cb -0.17 -3.03 0.33 0.00 0.04 0.00 0.00 34.50 31.67 3juj s PRO 24 CO 0.08 -0.40 1.56 -0.22 0.04 0.00 0.00 177.00 178.05 3juj h LYS 25 N 3.60 -0.00 0.00 4.56 1.63 -1.86 0.23 116.57 124.73 3juj h LYS 25 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 3juj h LYS 25 Cb 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 3juj h LYS 25 CO 0.68 -0.00 0.32 0.93 -3.45 0.00 0.00 179.45 177.93 3juj h GLU 26 N -0.00 0.00 -0.01 1.90 3.07 -1.91 0.94 114.58 118.58 3juj h GLU 26 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3juj h GLU 26 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3juj h GLU 26 CO -1.00 0.00 -0.67 -1.33 -1.40 0.00 0.00 179.01 174.61 3juj n MET 27 N -2.12 0.47 -1.81 2.33 2.81 0.81 -0.21 117.12 119.40 3juj n MET 27 Ca -0.01 -0.36 -0.41 0.00 -1.81 0.00 0.00 57.70 55.11 3juj n MET 27 Cb 0.35 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.35 3juj n MET 27 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3juj s LEU 28 N -2.78 4.35 0.54 4.03 1.43 0.32 -4.53 118.68 122.03 3juj s LEU 28 Ca 0.14 2.93 -0.15 0.00 -1.03 0.00 0.00 54.13 56.02 3juj s LEU 28 Cb 0.17 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.69 3juj s LEU 28 CO 0.71 -0.88 0.99 -2.16 0.23 0.00 0.00 176.35 175.24 3juj s PRO 29 N -0.75 3.84 0.00 1.29 0.04 -1.26 -1.28 135.00 136.88 3juj s PRO 29 Ca 0.61 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.52 3juj s PRO 29 Cb -0.47 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 31.94 3juj s PRO 29 CO 0.50 -0.34 0.00 -0.89 0.04 0.00 0.00 177.00 176.31 3juj n ILE 30 N -1.90 0.00 -0.12 0.56 2.08 0.05 -4.84 119.36 115.18 3juj n ILE 30 Ca 0.06 0.00 -0.25 0.00 0.56 0.00 0.00 62.75 63.13 3juj n ILE 30 Cb 0.54 -0.49 -0.08 0.00 -0.75 0.00 0.00 39.64 38.86 3juj n ILE 30 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 3juj n VAL 31 N -0.99 1.44 -1.64 1.39 0.24 -1.26 -4.77 118.33 112.76 3juj n VAL 31 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3juj n VAL 31 Cb 0.00 -1.94 0.00 0.00 -1.47 0.00 0.00 33.84 30.43 3juj n VAL 31 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3juj n ASP 32 N -4.21 0.00 -4.69 -1.34 5.68 -1.26 -5.09 116.55 105.63 3juj n ASP 32 Ca -0.45 -1.00 -0.33 0.00 -0.50 0.00 0.00 54.79 52.51 3juj n ASP 32 Cb 0.80 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.69 3juj n ASP 32 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3juj s LYS 33 N 0.00 2.85 0.44 0.11 1.02 -1.26 -5.01 119.74 117.90 3juj s LYS 33 Ca 0.00 -0.55 -0.22 0.00 0.02 0.00 0.00 55.97 55.22 3juj s LYS 33 Cb 0.00 -2.71 -0.09 0.00 -0.52 0.00 0.00 37.83 34.50 3juj s LYS 33 CO 0.00 0.65 1.01 -1.25 -0.92 0.00 0.00 175.35 174.83 3juj s PRO 34 N -1.41 4.06 0.24 -1.68 0.04 -1.26 -0.77 135.00 134.21 3juj s PRO 34 Ca 0.18 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.45 3juj s PRO 34 Cb -0.11 -2.26 0.37 0.00 0.04 0.00 0.00 34.50 32.54 3juj s PRO 34 CO 0.09 -0.20 1.62 -0.07 0.04 0.00 0.00 177.00 178.47 3juj h LEU 35 N 1.97 -0.55 -2.00 -3.56 4.07 -0.92 0.18 115.31 114.50 3juj h LEU 35 Ca -0.49 0.21 0.16 0.00 0.08 0.00 0.00 57.88 57.84 3juj h LEU 35 Cb 1.21 0.42 -0.02 0.00 1.08 0.00 0.00 40.66 43.34 3juj h LEU 35 CO 0.61 -0.22 0.40 -0.29 -1.08 0.00 0.00 178.44 177.85 3juj h ILE 36 N 0.04 0.72 -0.21 1.22 6.09 -0.89 -2.30 117.51 122.19 3juj h ILE 36 Ca 0.39 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 63.79 3juj h ILE 36 Cb 0.64 0.73 -0.00 0.00 0.47 0.00 0.00 36.82 38.65 3juj h ILE 36 CO -0.73 0.00 -0.19 -0.61 -3.07 0.00 0.00 178.15 173.54 3juj h GLN 37 N 0.00 0.51 -0.29 2.19 4.15 -1.22 -1.19 115.11 119.26 3juj h GLN 37 Ca 0.26 -0.26 0.06 0.00 0.77 0.00 0.00 58.65 59.48 3juj h GLN 37 Cb 1.05 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.68 3juj h GLN 37 CO -0.00 0.84 -0.14 1.88 -1.93 0.00 0.00 178.83 179.47 3juj h TYR 38 N 0.19 -0.34 -0.62 3.99 0.05 -1.43 0.18 116.97 118.99 3juj h TYR 38 Ca 0.04 0.03 0.10 0.00 0.05 0.00 0.00 58.73 58.95 3juj h TYR 38 Cb 0.74 0.20 -0.08 0.00 1.01 0.00 0.00 36.73 38.60 3juj h TYR 38 CO 0.08 -0.21 0.21 0.00 -1.05 0.00 0.00 178.16 177.18 3juj h ALA 39 N 1.13 0.79 -0.28 3.88 0.00 -1.33 0.05 119.26 123.49 3juj h ALA 39 Ca 0.15 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 3juj h ALA 39 Cb 0.33 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3juj h ALA 39 CO -0.35 -0.22 -0.52 0.28 0.00 0.00 0.00 179.25 178.43 3juj h VAL 40 N 0.37 1.28 0.13 0.00 2.07 -0.36 -2.43 116.25 117.31 3juj h VAL 40 Ca 0.32 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3juj h VAL 40 Cb 0.42 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3juj h VAL 40 CO -0.34 0.56 -0.11 -0.08 0.02 0.00 0.00 177.57 177.62 3juj h GLU 41 N 0.63 -0.24 -0.61 1.57 4.57 -0.05 0.22 114.58 120.68 3juj h GLU 41 Ca 0.02 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.34 3juj h GLU 41 Cb 1.11 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 29.66 3juj h GLU 41 CO 0.11 -0.16 0.02 1.49 -1.18 0.00 0.00 179.01 179.29 3juj h GLU 42 N -0.25 0.13 -0.28 1.92 4.81 -0.97 0.17 114.58 120.10 3juj h GLU 42 Ca -0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3juj h GLU 42 Cb 0.23 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3juj h GLU 42 CO -0.01 0.09 -0.00 0.00 -0.73 0.00 0.00 179.01 178.35 3juj h ALA 43 N 1.55 0.38 -0.59 2.92 0.00 -0.99 -2.35 119.26 120.18 3juj h ALA 43 Ca 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3juj h ALA 43 Cb 0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3juj h ALA 43 CO -0.51 0.13 0.38 1.98 0.00 0.00 0.00 179.25 181.24 3juj h MET 44 N 0.29 0.78 0.00 0.00 1.85 0.26 0.57 114.93 118.68 3juj h MET 44 Ca 0.08 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 59.09 3juj h MET 44 Cb 0.43 -0.17 -0.00 0.00 0.43 0.00 0.00 31.60 32.28 3juj h MET 44 CO 0.02 0.52 -0.12 0.93 -0.40 0.00 0.00 176.91 177.86 3juj h GLU 45 N 0.80 0.00 -0.04 0.39 5.08 -0.40 -2.30 114.58 118.11 3juj h GLU 45 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3juj h GLU 45 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3juj h GLU 45 CO -0.05 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 3juj n ALA 46 N -2.19 2.60 -0.04 3.43 0.00 0.16 -4.87 120.51 119.61 3juj n ALA 46 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3juj n ALA 46 Cb 0.33 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3juj n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3juj n GLY 47 N 1.06 0.82 3.74 0.00 0.00 -0.87 -4.83 105.19 105.11 3juj n GLY 47 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3juj n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juj n GLU 49 N 2.00 1.22 -4.19 0.00 1.02 -0.13 -4.43 120.64 116.13 3juj n GLU 49 Ca -0.00 -0.06 -0.34 0.00 -0.02 0.00 0.00 57.16 56.74 3juj n GLU 49 Cb 0.48 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 30.41 3juj n GLU 49 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3juj s VAL 50 N -2.61 3.02 -0.75 2.62 1.01 -0.89 -1.48 120.40 121.33 3juj s VAL 50 Ca -0.06 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 3juj s VAL 50 Cb 0.06 -2.33 0.19 0.00 0.00 0.00 0.00 36.38 34.31 3juj s VAL 50 CO 0.56 0.47 0.69 -0.04 0.00 0.00 0.00 175.10 176.78 3juj s MET 51 N 1.13 3.40 -0.43 2.72 -1.94 0.94 -1.68 119.30 123.44 3juj s MET 51 Ca 0.01 -2.28 -0.28 0.00 -1.71 0.00 0.00 55.69 51.43 3juj s MET 51 Cb -0.14 -4.36 0.02 0.00 2.01 0.00 0.00 34.83 32.36 3juj s MET 51 CO -0.03 -1.29 1.05 0.00 -0.01 0.00 0.00 175.02 174.74 3juj s ALA 52 N 0.51 3.27 -0.15 3.03 0.00 -0.35 -2.15 121.76 125.92 3juj s ALA 52 Ca 0.14 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 3juj s ALA 52 Cb -0.15 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 3juj s ALA 52 CO -0.06 -1.97 -0.05 0.42 0.00 0.00 0.00 175.76 174.11 3juj s ILE 53 N 4.00 3.82 -0.38 0.00 1.01 0.56 -0.90 121.20 129.31 3juj s ILE 53 Ca 0.44 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.54 3juj s ILE 53 Cb -0.09 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.71 3juj s ILE 53 CO 0.26 0.50 0.41 -0.69 0.00 0.00 0.00 174.94 175.42 3juj s VAL 54 N 0.34 5.11 0.35 2.92 1.01 -0.70 -2.38 120.40 127.06 3juj s VAL 54 Ca -0.05 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.88 3juj s VAL 54 Cb -0.14 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3juj s VAL 54 CO 0.03 -0.27 0.48 0.42 0.00 0.00 0.00 175.10 175.76 3juj s THR 55 N 2.11 3.92 0.00 3.92 -4.23 -0.62 -0.14 115.64 120.61 3juj s THR 55 Ca 0.13 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 3juj s THR 55 Cb -0.17 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.32 3juj s THR 55 CO 0.13 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3juj n GLY 56 N -1.66 2.54 0.00 3.99 0.00 -1.26 -0.69 105.19 108.11 3juj n GLY 56 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3juj n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3juj n ARG 57 N 0.00 0.00 -2.96 1.61 3.00 -1.26 -4.43 116.66 112.61 3juj n ARG 57 Ca 0.00 0.13 -0.44 0.00 -0.00 0.00 0.00 57.85 57.54 3juj n ARG 57 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 32.46 31.39 3juj n ARG 57 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 3juj s ASN 58 N -1.91 6.24 -0.00 6.15 -0.87 -1.26 -4.76 114.94 118.53 3juj s ASN 58 Ca 0.00 -1.31 0.12 0.00 -1.57 0.00 0.00 52.86 50.09 3juj s ASN 58 Cb 0.00 -2.37 -0.13 0.00 -0.02 0.00 0.00 41.25 38.72 3juj s ASN 58 CO 0.00 -1.26 0.47 2.29 -2.57 0.00 0.00 177.10 176.03 3juj n LYS 59 N 7.01 2.79 -0.13 -0.60 -0.00 -1.26 -4.28 118.16 121.69 3juj n LYS 59 Ca -0.02 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.31 58.21 3juj n LYS 59 Cb 0.45 -1.08 -0.00 0.00 -0.00 0.00 0.00 35.03 34.39 3juj n LYS 59 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3juj h ARG 60 N 0.00 -0.20 -0.76 -1.58 9.65 -1.95 0.21 114.38 119.75 3juj h ARG 60 Ca 0.00 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.92 3juj h ARG 60 Cb 0.31 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.89 3juj h ARG 60 CO 0.00 -0.14 0.49 0.77 2.80 0.00 0.00 179.97 183.89 3juj h SER 61 N -0.21 0.82 0.90 -3.80 0.02 -1.92 0.11 113.55 109.47 3juj h SER 61 Ca 0.19 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3juj h SER 61 Cb 0.52 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.87 3juj h SER 61 CO -0.54 0.58 -0.44 -0.07 -1.14 0.00 0.00 176.83 175.22 3juj h LEU 62 N 0.97 -1.05 -1.14 5.07 3.38 -1.47 -0.86 115.31 120.21 3juj h LEU 62 Ca 0.29 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 3juj h LEU 62 Cb -0.04 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3juj h LEU 62 CO -0.09 -0.74 0.20 -0.33 0.09 0.00 0.00 178.44 177.57 3juj h GLU 63 N -1.22 0.80 -0.19 1.13 5.08 -0.91 -2.72 114.58 116.54 3juj h GLU 63 Ca -0.12 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 3juj h GLU 63 Cb 0.94 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3juj h GLU 63 CO 0.19 0.67 -0.37 -0.44 -1.00 0.00 0.00 179.01 178.07 3juj h ASP 64 N 0.79 0.45 -0.56 1.42 3.32 -0.69 -3.05 116.42 118.09 3juj h ASP 64 Ca 0.18 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3juj h ASP 64 Cb 0.19 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3juj h ASP 64 CO -0.01 0.78 0.37 0.22 -1.72 0.00 0.00 179.24 178.88 3juj h TYR 65 N 0.36 0.67 -0.44 4.55 3.20 -0.82 -1.03 116.97 123.46 3juj h TYR 65 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3juj h TYR 65 Cb 0.82 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3juj h TYR 65 CO 0.02 0.41 0.00 1.19 -1.64 0.00 0.00 178.16 178.15 3juj n PHE 66 N -4.46 0.90 -3.51 -3.82 0.99 -1.16 -4.84 117.46 101.56 3juj n PHE 66 Ca 0.06 -0.37 -0.31 0.00 -0.00 0.00 0.00 57.45 56.82 3juj n PHE 66 Cb 0.08 -0.13 -0.05 0.00 -1.00 0.00 0.00 39.48 38.38 3juj n PHE 66 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3juj s ASP 67 N -0.82 6.54 -0.42 4.37 -0.00 -0.39 -4.89 116.67 121.06 3juj s ASP 67 Ca 0.33 0.76 -0.29 0.00 -0.00 0.00 0.00 52.55 53.35 3juj s ASP 67 Cb 0.20 -2.16 0.02 0.00 -0.00 0.00 0.00 42.92 40.98 3juj s ASP 67 CO 0.18 -0.04 1.29 0.28 -0.00 0.00 0.00 175.17 176.87 3juj s THR 68 N -1.80 4.06 -1.00 -1.27 -1.32 -1.26 -4.95 115.64 108.10 3juj s THR 68 Ca 0.44 1.10 -0.22 0.00 -1.21 0.00 0.00 61.69 61.80 3juj s THR 68 Cb -0.11 -4.35 0.06 0.00 -1.51 0.00 0.00 72.50 66.60 3juj s THR 68 CO 0.24 -0.80 1.39 -0.55 -2.21 0.00 0.00 174.62 172.69 3juj s SER 69 N 3.20 6.52 0.14 8.08 0.15 -1.26 -4.88 113.70 125.64 3juj s SER 69 Ca 0.55 -1.54 -0.16 0.00 0.70 0.00 0.00 55.95 55.51 3juj s SER 69 Cb -0.12 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3juj s SER 69 CO 0.30 -1.43 1.74 1.88 1.20 0.00 0.00 173.24 176.93 3juj h TYR 70 N 9.63 0.56 0.00 3.44 -1.99 -2.01 -3.25 116.97 123.35 3juj h TYR 70 Ca 0.18 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.89 3juj h TYR 70 Cb 1.01 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.57 3juj h TYR 70 CO 1.25 0.44 0.00 -1.91 -0.00 0.00 0.00 178.16 177.95 3juj n GLU 71 N -4.72 0.00 0.25 4.88 2.13 -1.26 -3.29 120.64 118.63 3juj n GLU 71 Ca 0.00 0.54 0.13 0.00 0.66 0.00 0.00 57.16 58.49 3juj n GLU 71 Cb 0.09 -1.28 0.79 0.00 0.27 0.00 0.00 31.44 31.31 3juj n GLU 71 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 3juj h ILE 72 N 0.00 0.70 0.00 6.31 2.10 -1.95 -1.53 117.51 123.14 3juj h ILE 72 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 3juj h ILE 72 Cb 0.00 0.96 -0.00 0.00 -1.09 0.00 0.00 36.82 36.69 3juj h ILE 72 CO 0.00 0.00 -0.03 -0.08 -1.08 0.00 0.00 178.15 176.96 3juj h GLU 73 N 0.00 0.00 0.07 2.19 4.81 -1.59 -0.74 114.58 119.33 3juj h GLU 73 Ca 0.03 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.93 3juj h GLU 73 Cb 0.15 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3juj h GLU 73 CO -0.00 0.03 -1.82 1.58 -0.73 0.00 0.00 179.01 178.07 3juj n HIS 74 N -3.13 1.06 1.30 0.92 -0.00 -0.86 -2.48 115.22 112.02 3juj n HIS 74 Ca 0.01 0.29 0.05 0.00 0.46 0.00 0.00 57.72 58.54 3juj n HIS 74 Cb 0.37 -1.13 0.28 0.00 -0.12 0.00 0.00 29.99 29.40 3juj n HIS 74 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 3juj n GLN 75 N -3.81 0.65 0.00 1.57 0.00 -0.63 -1.16 117.38 114.00 3juj n GLN 75 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.66 3juj n GLN 75 Cb 0.92 -1.23 0.00 0.00 0.00 0.00 0.00 30.24 29.93 3juj n GLN 75 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 3juj n ILE 76 N -0.73 0.00 -1.95 1.69 0.00 -0.29 -4.99 119.36 113.08 3juj n ILE 76 Ca 0.07 -0.25 -0.37 0.00 0.00 0.00 0.00 62.75 62.20 3juj n ILE 76 Cb 0.03 0.79 0.03 0.00 0.00 0.00 0.00 39.64 40.49 3juj n ILE 76 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 3juj s GLN 77 N -0.98 3.21 0.00 9.51 0.74 -0.31 -2.20 119.66 129.62 3juj s GLN 77 Ca 0.00 2.02 0.00 0.00 0.05 0.00 0.00 55.36 57.43 3juj s GLN 77 Cb 0.00 -2.18 0.00 0.00 1.10 0.00 0.00 33.01 31.93 3juj s GLN 77 CO 0.00 -1.07 0.00 0.41 -0.55 0.00 0.00 175.29 174.08 3juj n GLY 78 N 0.62 1.99 0.00 2.59 0.00 -1.26 -4.96 105.19 104.17 3juj n GLY 78 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3juj n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3juj n THR 79 N -2.00 0.00 -1.64 2.61 -1.04 -0.94 -5.03 114.28 106.25 3juj n THR 79 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 3juj n THR 79 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 3juj n THR 79 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3juj n ASN 80 N 0.00 1.31 -0.16 8.00 6.94 -1.26 -4.71 115.26 125.38 3juj n ASN 80 Ca 0.00 -2.72 0.05 0.00 -0.02 0.00 0.00 54.58 51.89 3juj n ASN 80 Cb 0.00 -0.35 0.07 0.00 -2.36 0.00 0.00 39.78 37.14 3juj n ASN 80 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3juj n LYS 81 N -0.67 1.15 0.13 -3.83 4.01 -1.26 -4.67 118.16 113.01 3juj n LYS 81 Ca 0.10 -1.83 0.13 0.00 -0.51 0.00 0.00 58.31 56.20 3juj n LYS 81 Cb 0.73 -1.08 0.42 0.00 -0.51 0.00 0.00 35.03 34.59 3juj n LYS 81 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 3juj h GLU 82 N 0.00 0.00 -0.40 1.97 9.09 -1.84 -2.91 114.58 120.48 3juj h GLU 82 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 3juj h GLU 82 Cb 1.01 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.10 3juj h GLU 82 CO 0.00 0.00 -0.00 -0.97 0.05 0.00 0.00 179.01 178.09 3juj h ASN 83 N 0.00 0.70 -0.37 3.06 -0.00 -1.96 -2.91 115.58 114.10 3juj h ASN 83 Ca 0.00 -0.31 0.11 0.00 -0.00 0.00 0.00 56.30 56.10 3juj h ASN 83 Cb 0.65 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.77 3juj h ASN 83 CO 0.00 0.84 0.41 0.00 -0.00 0.00 0.00 177.43 178.68 3juj h ALA 84 N 0.89 2.06 -0.09 1.57 0.00 -1.86 -0.76 119.26 121.06 3juj h ALA 84 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3juj h ALA 84 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3juj h ALA 84 CO 0.02 -0.60 0.00 1.28 0.00 0.00 0.00 179.25 179.95 3juj n LEU 85 N -3.71 2.61 0.12 0.00 4.77 -1.11 -4.59 117.00 115.10 3juj n LEU 85 Ca 0.06 -1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 54.78 3juj n LEU 85 Cb 0.57 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 3juj n LEU 85 CO 0.27 0.49 0.72 0.50 -1.33 0.00 0.00 177.39 178.05 3juj h LYS 86 N 3.45 -0.40 0.50 3.23 3.64 -1.03 -1.28 116.57 124.68 3juj h LYS 86 Ca 0.00 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3juj h LYS 86 Cb 0.76 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3juj h LYS 86 CO 0.00 -0.27 -0.37 0.66 -2.27 0.00 0.00 179.45 177.21 3juj h SER 87 N -0.42 -0.96 -0.48 4.20 4.64 -1.81 -0.92 113.55 117.80 3juj h SER 87 Ca 0.02 0.06 0.08 0.00 -0.47 0.00 0.00 61.79 61.48 3juj h SER 87 Cb 0.42 0.29 -0.07 0.00 -0.31 0.00 0.00 62.40 62.74 3juj h SER 87 CO -0.09 -0.53 0.10 -0.29 -0.87 0.00 0.00 176.83 175.15 3juj h ILE 88 N -0.83 0.74 -0.94 0.95 6.09 -1.84 -0.43 117.51 121.25 3juj h ILE 88 Ca -0.07 -0.08 0.11 0.00 -1.37 0.00 0.00 64.86 63.45 3juj h ILE 88 Cb 0.69 0.48 -0.07 0.00 0.47 0.00 0.00 36.82 38.38 3juj h ILE 88 CO 0.03 0.04 0.60 -0.09 -3.07 0.00 0.00 178.15 175.67 3juj h ARG 89 N 0.24 0.90 0.38 2.19 2.43 -1.15 -1.64 114.38 117.73 3juj h ARG 89 Ca 0.24 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3juj h ARG 89 Cb 0.31 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3juj h ARG 89 CO -0.31 0.59 -0.27 -0.97 -1.51 0.00 0.00 179.97 177.50 3juj h ASN 90 N 0.93 -0.70 -0.42 -3.80 -0.00 0.36 -2.08 115.58 109.86 3juj h ASN 90 Ca 0.45 0.05 0.08 0.00 -0.00 0.00 0.00 56.30 56.88 3juj h ASN 90 Cb 0.45 0.22 -0.07 0.00 -0.00 0.00 0.00 38.32 38.92 3juj h ASN 90 CO -0.21 -0.42 -0.04 0.40 -0.00 0.00 0.00 177.43 177.16 3juj h ILE 91 N -0.64 0.64 -0.47 2.57 2.04 -0.76 -1.01 117.51 119.87 3juj h ILE 91 Ca -0.03 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3juj h ILE 91 Cb 0.55 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 3juj h ILE 91 CO 0.01 0.01 0.19 0.40 0.00 0.00 0.00 178.15 178.76 3juj h ILE 92 N 0.06 0.87 -0.08 -0.67 2.04 -1.08 0.47 117.51 119.14 3juj h ILE 92 Ca 0.21 -0.13 -0.16 0.00 1.00 0.00 0.00 64.86 65.78 3juj h ILE 92 Cb 0.31 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3juj h ILE 92 CO -0.38 0.07 -0.65 1.05 0.00 0.00 0.00 178.15 178.24 3juj h GLU 93 N 0.37 0.31 -0.01 2.37 4.11 -1.00 -3.28 114.58 117.45 3juj h GLU 93 Ca 0.22 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3juj h GLU 93 Cb 0.20 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3juj h GLU 93 CO -0.21 0.85 -0.27 1.63 0.07 0.00 0.00 179.01 181.08 3juj n LYS 94 N -3.86 1.19 -4.41 1.06 5.02 -0.42 -4.95 118.16 111.80 3juj n LYS 94 Ca -0.03 -0.83 -0.26 0.00 -2.02 0.00 0.00 58.31 55.17 3juj n LYS 94 Cb 0.65 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 34.07 3juj n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3juj s PHE 97 N -0.18 2.64 0.07 0.00 0.40 -1.26 -0.04 117.98 119.61 3juj s PHE 97 Ca 0.01 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 3juj s PHE 97 Cb -0.13 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 3juj s PHE 97 CO 0.03 0.08 -0.11 -1.54 0.70 0.00 0.00 175.22 174.38 3juj s SER 98 N -0.56 1.32 0.07 1.36 1.04 -0.91 -4.96 113.70 111.06 3juj s SER 98 Ca 0.08 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 55.87 3juj s SER 98 Cb -0.11 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 3juj s SER 98 CO 0.01 -0.17 -0.05 -0.31 0.98 0.00 0.00 173.24 173.69 3juj s TYR 99 N -1.64 0.69 -0.24 5.02 1.51 -1.26 -0.32 117.35 121.10 3juj s TYR 99 Ca -0.03 -0.87 -0.16 0.00 -1.01 0.00 0.00 57.07 55.00 3juj s TYR 99 Cb -0.08 -0.43 0.07 0.00 -0.11 0.00 0.00 41.96 41.41 3juj s TYR 99 CO 0.01 -0.22 0.61 0.54 -1.11 0.00 0.00 175.55 175.38 3juj s VAL 100 N -3.21 -0.01 0.02 0.71 0.11 -1.00 -4.96 120.40 112.07 3juj s VAL 100 Ca 0.05 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.82 3juj s VAL 100 Cb 0.03 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 3juj s VAL 100 CO -0.05 0.01 1.06 -0.60 -3.33 0.00 0.00 175.10 172.18 3juj s ARG 101 N 1.25 4.52 0.04 1.54 6.06 -1.26 -1.59 118.95 129.50 3juj s ARG 101 Ca -0.07 1.54 -0.30 0.00 -2.50 0.00 0.00 55.73 54.40 3juj s ARG 101 Cb -0.06 -3.42 -0.06 0.00 0.06 0.00 0.00 34.95 31.48 3juj s ARG 101 CO -0.13 -0.12 1.34 -1.14 -2.50 0.00 0.00 175.30 172.75 3juj s GLN 102 N 1.02 4.33 0.00 5.12 -0.44 0.13 -4.92 119.66 124.90 3juj s GLN 102 Ca 0.54 1.93 0.00 0.00 -2.50 0.00 0.00 55.36 55.33 3juj s GLN 102 Cb -0.24 -3.44 0.00 0.00 -1.64 0.00 0.00 33.01 27.69 3juj s GLN 102 CO 0.28 -0.46 0.00 1.17 0.50 0.00 0.00 175.29 176.78 3juj n LYS 103 N 4.67 1.76 -1.55 1.67 3.00 -1.26 -4.46 118.16 122.00 3juj n LYS 103 Ca 0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.19 3juj n LYS 103 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.39 3juj n LYS 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3juj n GLN 104 N 0.00 0.63 -0.37 1.64 6.02 -1.26 -4.71 117.38 119.33 3juj n GLN 104 Ca 0.00 -0.44 -0.11 0.00 -0.01 0.00 0.00 57.00 56.44 3juj n GLN 104 Cb 0.00 -3.22 -0.04 0.00 1.02 0.00 0.00 30.24 28.00 3juj n GLN 104 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 3juj n MET 105 N 8.54 0.00 -2.65 -1.09 1.56 -1.26 -4.88 117.12 117.34 3juj n MET 105 Ca 0.47 0.00 -0.25 0.00 -0.27 0.00 0.00 57.70 57.65 3juj n MET 105 Cb 0.42 -0.38 -0.01 0.00 2.15 0.00 0.00 33.22 35.39 3juj n MET 105 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 3juj n LYS 106 N 2.12 3.06 0.00 2.12 5.02 -1.26 -5.08 118.16 124.13 3juj n LYS 106 Ca 0.16 -4.44 0.00 0.00 -2.02 0.00 0.00 58.31 52.01 3juj n LYS 106 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 3juj n LYS 106 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3juj n GLY 107 N -0.35 -1.20 0.24 0.72 0.00 -1.26 -3.58 105.19 99.77 3juj n GLY 107 Ca 0.33 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 45.29 3juj n GLY 107 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3juj h LEU 108 N 0.00 0.00 0.83 0.99 5.85 -1.99 -2.87 115.31 118.12 3juj h LEU 108 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3juj h LEU 108 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 3juj h LEU 108 CO 0.00 0.13 -0.40 1.23 -0.34 0.00 0.00 178.44 179.06 3juj h GLY 109 N 2.23 -1.16 2.00 3.75 0.00 -1.72 -2.67 103.07 105.50 3juj h GLY 109 Ca -0.00 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3juj h GLY 109 CO 0.02 -0.42 0.00 1.57 0.00 0.00 0.00 176.54 177.70 3juj n HIS 110 N -5.51 0.45 -0.09 5.60 -0.00 -1.23 -1.98 115.22 112.46 3juj n HIS 110 Ca -0.14 0.16 -0.13 0.00 -0.00 0.00 0.00 57.72 57.61 3juj n HIS 110 Cb 0.44 -0.76 -0.05 0.00 -0.00 0.00 0.00 29.99 29.62 3juj n HIS 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3juj h ALA 111 N 2.50 0.38 -0.13 1.57 0.00 -1.40 0.67 119.26 122.86 3juj h ALA 111 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.32 3juj h ALA 111 Cb 0.42 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3juj h ALA 111 CO 0.00 0.33 -0.80 0.82 0.00 0.00 0.00 179.25 179.60 3juj h ILE 112 N 0.33 1.29 -0.19 0.00 2.04 -1.28 -1.22 117.51 118.48 3juj h ILE 112 Ca 0.05 -2.03 -0.02 0.00 1.00 0.00 0.00 64.86 63.86 3juj h ILE 112 Cb 0.77 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 3juj h ILE 112 CO 0.06 0.64 0.06 0.25 0.00 0.00 0.00 178.15 179.15 3juj h LEU 113 N 0.48 0.27 -0.97 1.44 6.46 -1.32 -2.41 115.31 119.27 3juj h LEU 113 Ca -0.06 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.55 3juj h LEU 113 Cb 1.42 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 41.22 3juj h LEU 113 CO 0.16 0.41 0.63 0.74 -0.62 0.00 0.00 178.44 179.76 3juj h THR 114 N 0.13 1.12 0.00 1.05 2.02 0.38 -1.52 112.91 116.09 3juj h THR 114 Ca 0.06 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3juj h THR 114 Cb 0.23 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 3juj h THR 114 CO -0.00 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.71 3juj n GLY 115 N -1.36 -0.44 0.28 2.16 0.00 -0.47 -2.62 105.19 102.74 3juj n GLY 115 Ca 0.14 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.24 3juj n GLY 115 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3juj h GLU 116 N 0.00 0.00 0.00 1.61 4.81 -1.07 0.15 114.58 120.07 3juj h GLU 116 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3juj h GLU 116 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3juj h GLU 116 CO 0.00 0.08 0.00 0.00 -0.73 0.00 0.00 179.01 178.36 3juj n ALA 117 N -2.23 1.76 -0.03 2.92 0.00 -1.08 -1.55 120.51 120.30 3juj n ALA 117 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3juj n ALA 117 Cb 0.21 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 3juj n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3juj n LEU 118 N -1.48 0.00 -0.09 0.00 4.77 0.45 -4.79 117.00 115.85 3juj n LEU 118 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3juj n LEU 118 Cb 0.19 0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 3juj n LEU 118 CO 0.15 0.13 -0.65 -0.38 -1.33 0.00 0.00 177.39 175.31 3juj n ILE 119 N -2.15 1.48 -2.64 -0.08 -0.00 -0.81 -4.97 119.36 110.18 3juj n ILE 119 Ca -0.10 0.07 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 3juj n ILE 119 Cb 0.58 -2.26 0.00 0.00 -0.00 0.00 0.00 39.64 37.96 3juj n ILE 119 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3juj n GLY 120 N 1.48 -1.72 3.46 7.39 0.00 -0.60 -4.59 105.19 110.61 3juj n GLY 120 Ca -0.20 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 43.81 3juj n GLY 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3juj s ASN 121 N -4.00 6.99 -0.28 1.61 3.84 -1.26 -4.90 114.94 116.94 3juj s ASN 121 Ca 0.00 -2.83 -0.25 0.00 0.21 0.00 0.00 52.86 49.99 3juj s ASN 121 Cb 0.00 -2.40 0.11 0.00 -0.55 0.00 0.00 41.25 38.41 3juj s ASN 121 CO 0.00 -0.79 0.94 -1.83 -2.79 0.00 0.00 177.10 172.63 3juj s GLU 122 N 1.71 0.60 0.41 0.43 -1.05 -1.26 -4.99 118.70 114.55 3juj s GLU 122 Ca 0.40 0.72 -0.25 0.00 -0.15 0.00 0.00 54.97 55.69 3juj s GLU 122 Cb -0.03 0.29 -0.11 0.00 -0.44 0.00 0.00 34.13 33.84 3juj s GLU 122 CO -0.02 -0.07 1.08 -0.35 0.95 0.00 0.00 175.26 176.84 3juj n PRO 123 N 2.36 1.49 -4.11 -4.83 -0.04 -1.26 -4.37 135.00 124.24 3juj n PRO 123 Ca -0.13 0.53 -0.11 0.00 -0.04 0.00 0.00 63.50 63.76 3juj n PRO 123 Cb 0.56 -2.11 -0.08 0.00 -0.04 0.00 0.00 33.50 31.82 3juj n PRO 123 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3juj s PHE 124 N -1.24 0.82 0.20 0.54 -0.12 -0.25 -4.63 117.98 113.30 3juj s PHE 124 Ca 0.62 -1.10 0.05 0.00 -0.05 0.00 0.00 56.93 56.46 3juj s PHE 124 Cb -0.55 -0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 41.54 3juj s PHE 124 CO 0.57 -0.77 0.20 0.00 -0.05 0.00 0.00 175.22 175.17 3juj s ALA 125 N -4.09 3.66 -0.04 1.99 0.00 -0.52 -0.04 121.76 122.72 3juj s ALA 125 Ca 0.31 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 3juj s ALA 125 Cb 0.04 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.75 3juj s ALA 125 CO 0.10 0.40 0.02 0.08 0.00 0.00 0.00 175.76 176.36 3juj s VAL 126 N -1.89 0.10 -0.05 0.00 1.01 -0.20 0.20 120.40 119.57 3juj s VAL 126 Ca 0.32 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.56 3juj s VAL 126 Cb -0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 3juj s VAL 126 CO 0.25 0.17 -0.19 -0.63 0.00 0.00 0.00 175.10 174.70 3juj s ILE 127 N 1.57 1.59 -0.54 2.22 1.01 -0.88 -1.25 121.20 124.93 3juj s ILE 127 Ca -0.02 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 3juj s ILE 127 Cb -0.13 -1.37 0.12 0.00 0.01 0.00 0.00 42.46 41.10 3juj s ILE 127 CO -0.03 0.45 0.50 -0.76 0.00 0.00 0.00 174.94 175.10 3juj s LEU 128 N 0.05 6.11 0.56 2.97 1.43 -1.02 -3.82 118.68 124.96 3juj s LEU 128 Ca -0.05 -1.73 0.38 0.00 -1.03 0.00 0.00 54.13 51.69 3juj s LEU 128 Cb -0.13 -2.21 1.51 0.00 0.03 0.00 0.00 46.19 45.40 3juj s LEU 128 CO 0.03 -0.85 1.70 0.00 0.23 0.00 0.00 176.35 177.46 3juj h ALA 129 N 8.89 3.18 0.00 4.21 0.00 -1.90 0.65 119.26 134.28 3juj h ALA 129 Ca -0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3juj h ALA 129 Cb 1.10 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3juj h ALA 129 CO 1.03 -1.65 0.00 -0.44 0.00 0.00 0.00 179.25 178.19 3juj h ASP 130 N 0.00 0.00 -3.58 0.00 5.19 -1.92 -3.33 116.42 112.79 3juj h ASP 130 Ca 0.60 0.00 -0.79 0.00 -0.62 0.00 0.00 57.03 56.23 3juj h ASP 130 Cb 2.58 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 41.83 3juj h ASP 130 CO -0.01 0.00 0.34 -1.81 -3.12 0.00 0.00 179.24 174.64 3juj s ASP 131 N -5.35 7.02 -0.47 6.45 1.01 0.23 -1.14 116.67 124.42 3juj s ASP 131 Ca -0.00 -3.07 -0.28 0.00 0.71 0.00 0.00 52.55 49.90 3juj s ASP 131 Cb 0.10 -2.23 0.01 0.00 1.01 0.00 0.00 42.92 41.82 3juj s ASP 131 CO 0.48 -0.48 1.39 -0.22 0.21 0.00 0.00 175.17 176.56 3juj s LEU 132 N -0.29 3.53 -0.10 1.23 2.96 -1.07 -4.84 118.68 120.09 3juj s LEU 132 Ca 0.25 0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 54.77 3juj s LEU 132 Cb -0.09 -3.38 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 3juj s LEU 132 CO -0.08 -1.52 -0.06 0.00 -1.32 0.00 0.00 176.35 173.37 3juj s ILE 134 N -0.40 1.01 -0.32 0.00 2.07 0.63 -4.91 121.20 119.29 3juj s ILE 134 Ca 0.06 -0.52 -0.06 0.00 -1.41 0.00 0.00 60.65 58.71 3juj s ILE 134 Cb -0.12 -0.86 0.03 0.00 0.13 0.00 0.00 42.46 41.64 3juj s ILE 134 CO 0.02 0.29 0.08 -0.94 -1.91 0.00 0.00 174.94 172.49 3juj s SER 135 N -0.15 5.18 -0.72 4.50 1.04 -1.26 0.17 113.70 122.46 3juj s SER 135 Ca 0.02 -0.96 -0.26 0.00 0.48 0.00 0.00 55.95 55.23 3juj s SER 135 Cb -0.07 -1.86 -0.13 0.00 0.10 0.00 0.00 66.02 64.07 3juj s SER 135 CO 0.00 -0.26 2.42 0.00 0.98 0.00 0.00 173.24 176.37 3juj n HIS 136 N 4.82 1.20 -4.22 5.02 1.44 -1.26 -3.14 115.22 119.08 3juj n HIS 136 Ca -0.13 0.02 -0.32 0.00 -2.01 0.00 0.00 57.72 55.27 3juj n HIS 136 Cb 0.46 -2.58 -0.07 0.00 0.12 0.00 0.00 29.99 27.92 3juj n HIS 136 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3juj n ASP 137 N 17.79 -0.00 -4.13 4.39 3.85 -1.26 -4.96 116.55 132.22 3juj n ASP 137 Ca 0.45 -1.24 -0.09 0.00 -0.71 0.00 0.00 54.79 53.20 3juj n ASP 137 Cb 0.45 -1.84 -0.10 0.00 -1.35 0.00 0.00 41.12 38.27 3juj n ASP 137 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.20 175.19 3juj s HIS 138 N -4.20 0.72 0.72 2.11 3.76 -1.19 -5.14 115.29 112.08 3juj s HIS 138 Ca 0.07 -1.01 -0.15 0.00 -0.15 0.00 0.00 55.06 53.83 3juj s HIS 138 Cb -0.04 -0.46 0.03 0.00 1.11 0.00 0.00 32.58 33.22 3juj s HIS 138 CO 0.98 -0.28 1.16 -2.14 -0.85 0.00 0.00 174.74 173.61 3juj s PRO 139 N -3.89 2.31 0.40 8.40 0.02 -1.26 -4.69 135.00 136.28 3juj s PRO 139 Ca 0.11 1.60 -0.26 0.00 0.02 0.00 0.00 61.00 62.46 3juj s PRO 139 Cb 0.07 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.61 3juj s PRO 139 CO -0.07 -1.67 1.27 -1.13 -0.33 0.00 0.00 177.00 175.08 3juj n SER 140 N -2.73 2.61 -0.34 2.53 3.41 -1.26 -4.63 113.62 113.21 3juj n SER 140 Ca 0.12 1.14 0.21 0.00 -0.26 0.00 0.00 58.87 60.08 3juj n SER 140 Cb 0.51 -1.50 0.40 0.00 -0.26 0.00 0.00 64.21 63.37 3juj n SER 140 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3juj h VAL 141 N 2.22 0.01 -0.59 -3.33 2.07 -1.91 0.56 116.25 115.28 3juj h VAL 141 Ca -0.47 -0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 3juj h VAL 141 Cb 1.29 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3juj h VAL 141 CO 0.61 0.00 0.10 0.25 0.02 0.00 0.00 177.57 178.54 3juj h LEU 142 N 0.01 0.91 -0.74 2.57 6.46 -1.87 -2.27 115.31 120.36 3juj h LEU 142 Ca 0.69 -0.20 -0.09 0.00 -0.12 0.00 0.00 57.88 58.17 3juj h LEU 142 Cb 1.61 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.28 3juj h LEU 142 CO -0.87 0.91 0.02 0.50 -0.62 0.00 0.00 178.44 178.38 3juj h LYS 143 N 0.90 0.98 -0.91 1.25 3.64 -0.17 0.20 116.57 122.46 3juj h LYS 143 Ca 0.19 -0.28 0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3juj h LYS 143 Cb 0.39 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 3juj h LYS 143 CO 0.01 0.95 0.59 1.96 -2.27 0.00 0.00 179.45 180.69 3juj h GLN 144 N 0.90 0.97 -0.07 1.90 4.20 -0.99 -0.79 115.11 121.24 3juj h GLN 144 Ca 0.17 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.60 3juj h GLN 144 Cb 0.50 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 28.08 3juj h GLN 144 CO 0.02 0.64 -0.82 0.52 -0.67 0.00 0.00 178.83 178.53 3juj h MET 145 N 1.00 0.68 -0.44 1.46 2.86 -0.61 -1.76 114.93 118.13 3juj h MET 145 Ca 0.40 -0.64 -0.10 0.00 -2.06 0.00 0.00 59.70 57.31 3juj h MET 145 Cb 0.26 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3juj h MET 145 CO -0.16 1.24 -0.12 1.79 1.06 0.00 0.00 176.91 180.73 3juj h THR 146 N 0.36 1.26 0.35 2.22 1.35 -0.40 0.19 112.91 118.24 3juj h THR 146 Ca -0.08 -1.19 -0.02 0.00 -0.55 0.00 0.00 66.41 64.58 3juj h THR 146 Cb 1.47 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3juj h THR 146 CO 0.17 0.41 -0.17 -1.28 -0.25 0.00 0.00 175.52 174.40 3juj h SER 147 N 0.72 -0.39 -0.71 5.36 0.87 -1.16 -2.02 113.55 116.22 3juj h SER 147 Ca 0.12 -0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.75 3juj h SER 147 Cb 0.60 0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 62.59 3juj h SER 147 CO 0.04 -0.21 0.31 0.25 -0.53 0.00 0.00 176.83 176.69 3juj h LEU 148 N -0.55 0.34 -1.33 2.23 6.46 -1.12 -0.99 115.31 120.35 3juj h LEU 148 Ca -0.05 0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.88 3juj h LEU 148 Cb 0.41 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.33 3juj h LEU 148 CO 0.08 0.18 0.51 0.22 -0.62 0.00 0.00 178.44 178.81 3juj h TYR 149 N 0.50 0.81 -0.17 1.25 3.20 -0.64 -0.26 116.97 121.67 3juj h TYR 149 Ca 0.37 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.31 3juj h TYR 149 Cb 0.47 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3juj h TYR 149 CO -0.14 0.40 0.18 0.37 -1.64 0.00 0.00 178.16 177.33 3juj h GLN 150 N 0.77 0.00 0.06 1.82 5.75 -0.44 0.32 115.11 123.39 3juj h GLN 150 Ca 0.35 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.49 3juj h GLN 150 Cb 0.36 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 3juj h GLN 150 CO -0.13 0.00 -2.10 1.17 -2.65 0.00 0.00 178.83 175.12 3juj n LYS 151 N -3.85 0.68 0.08 1.69 4.81 -0.19 -4.59 118.16 116.80 3juj n LYS 151 Ca 0.01 0.27 0.04 0.00 -0.87 0.00 0.00 58.31 57.76 3juj n LYS 151 Cb 0.30 -1.63 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 3juj n LYS 151 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 3juj h TYR 152 N -0.20 0.00 -6.48 5.64 0.05 -1.01 -3.49 116.97 111.48 3juj h TYR 152 Ca -0.49 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 57.80 3juj h TYR 152 Cb 1.85 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.59 3juj h TYR 152 CO 0.05 0.37 -0.93 1.04 -1.05 0.00 0.00 178.16 177.64 3juj n GLN 153 N -2.89 -1.96 -3.83 4.88 1.13 0.11 -4.95 117.38 109.88 3juj n GLN 153 Ca -0.05 0.36 -0.06 0.00 -1.94 0.00 0.00 57.00 55.31 3juj n GLN 153 Cb 0.73 -4.05 -0.00 0.00 0.11 0.00 0.00 30.24 27.02 3juj n GLN 153 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3juj s SER 155 N -3.00 6.54 -0.13 0.00 0.01 -1.26 -4.82 113.70 111.04 3juj s SER 155 Ca 0.13 2.79 0.01 0.00 1.31 0.00 0.00 55.95 60.19 3juj s SER 155 Cb -0.05 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.57 3juj s SER 155 CO 0.07 -0.78 -0.15 -0.63 0.41 0.00 0.00 173.24 172.17 3juj s ILE 156 N -0.13 1.55 -0.20 1.44 1.01 0.12 -1.44 121.20 123.55 3juj s ILE 156 Ca 0.60 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 3juj s ILE 156 Cb -0.44 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 3juj s ILE 156 CO 0.47 0.45 -0.06 0.54 0.00 0.00 0.00 174.94 176.34 3juj s VAL 157 N 1.29 3.31 0.09 2.92 0.11 -1.04 -1.28 120.40 125.80 3juj s VAL 157 Ca 0.00 -0.52 -0.30 0.00 -2.93 0.00 0.00 61.98 58.23 3juj s VAL 157 Cb -0.14 -2.48 -0.06 0.00 -1.53 0.00 0.00 36.38 32.17 3juj s VAL 157 CO -0.07 0.44 1.21 0.00 -3.33 0.00 0.00 175.10 173.35 3juj s ALA 158 N 1.27 3.41 0.32 1.54 0.00 -0.53 -1.18 121.76 126.60 3juj s ALA 158 Ca 0.03 0.89 0.07 0.00 0.00 0.00 0.00 51.96 52.95 3juj s ALA 158 Cb -0.14 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 3juj s ALA 158 CO -0.02 -0.42 -0.04 0.96 0.00 0.00 0.00 175.76 176.23 3juj s ILE 159 N 0.79 1.78 0.12 0.00 -4.36 0.31 -0.73 121.20 119.12 3juj s ILE 159 Ca 0.58 -2.11 -0.20 0.00 -0.26 0.00 0.00 60.65 58.65 3juj s ILE 159 Cb -0.31 -2.63 0.05 0.00 1.25 0.00 0.00 42.46 40.83 3juj s ILE 159 CO 0.31 -0.19 0.51 -1.83 0.24 0.00 0.00 174.94 173.98 3juj s GLU 160 N -3.72 1.15 0.01 0.37 -1.05 -0.33 -3.47 118.70 111.67 3juj s GLU 160 Ca 0.32 -0.52 -0.23 0.00 -0.15 0.00 0.00 54.97 54.40 3juj s GLU 160 Cb 0.05 0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 34.21 3juj s GLU 160 CO 0.14 -0.47 0.68 -1.21 0.95 0.00 0.00 175.26 175.35 3juj s GLU 161 N -3.52 4.40 0.26 -4.83 2.02 -1.26 0.26 118.70 116.03 3juj s GLU 161 Ca 0.01 0.89 0.09 0.00 0.02 0.00 0.00 54.97 55.98 3juj s GLU 161 Cb 0.00 -3.36 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 3juj s GLU 161 CO -0.10 0.31 -0.15 0.14 0.02 0.00 0.00 175.26 175.48 3juj s VAL 162 N -0.08 2.04 0.22 2.63 -7.23 -0.44 -4.94 120.40 112.60 3juj s VAL 162 Ca 0.35 -2.27 -0.31 0.00 -1.81 0.00 0.00 61.98 57.93 3juj s VAL 162 Cb -0.19 -2.25 -0.11 0.00 0.56 0.00 0.00 36.38 34.38 3juj s VAL 162 CO 0.20 -0.45 1.67 0.00 -0.31 0.00 0.00 175.10 176.21 3juj s ALA 163 N -2.78 3.87 0.58 1.32 0.00 -1.26 -4.80 121.76 118.68 3juj s ALA 163 Ca 0.27 1.55 0.41 0.00 0.00 0.00 0.00 51.96 54.20 3juj s ALA 163 Cb -0.01 -3.67 1.42 0.00 0.00 0.00 0.00 23.12 20.85 3juj s ALA 163 CO 0.11 -0.92 1.46 1.25 0.00 0.00 0.00 175.76 177.67 3juj h LEU 164 N 6.31 0.00 0.03 0.00 7.12 -1.97 1.31 115.31 128.10 3juj h LEU 164 Ca -0.44 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.57 3juj h LEU 164 Cb 1.21 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 3juj h LEU 164 CO 0.91 0.00 -0.02 -0.08 -0.13 0.00 0.00 178.44 179.12 3juj h GLU 165 N 0.00 -0.04 -0.40 1.25 4.22 -1.97 -3.25 114.58 114.38 3juj h GLU 165 Ca 0.77 0.00 0.12 0.00 0.08 0.00 0.00 59.36 60.33 3juj h GLU 165 Cb 3.47 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 32.71 3juj h GLU 165 CO -0.01 0.64 0.52 0.93 -2.18 0.00 0.00 179.01 178.91 3juj h GLU 166 N -0.80 0.00 -1.03 1.92 4.39 0.14 -3.12 114.58 116.07 3juj h GLU 166 Ca -0.00 0.00 0.35 0.00 0.34 0.00 0.00 59.36 60.04 3juj h GLU 166 Cb 0.70 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.20 3juj h GLU 166 CO 0.01 0.00 0.59 -0.24 -1.16 0.00 0.00 179.01 178.21 3juj h VAL 167 N 0.00 0.24 -0.15 3.13 3.04 -1.48 -1.95 116.25 119.07 3juj h VAL 167 Ca 0.19 -0.09 0.04 0.00 -1.01 0.00 0.00 66.70 65.84 3juj h VAL 167 Cb 1.23 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 3juj h VAL 167 CO -0.00 0.05 0.19 0.77 -1.01 0.00 0.00 177.57 177.57 3juj h SER 168 N 0.25 0.00 -0.81 3.17 4.64 -1.51 -2.59 113.55 116.70 3juj h SER 168 Ca 0.76 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.53 3juj h SER 168 Cb 1.85 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.62 3juj h SER 168 CO -0.61 0.00 0.08 2.29 -0.87 0.00 0.00 176.83 177.72 3juj n LYS 169 N -3.69 2.88 -4.16 4.77 2.85 -0.73 -3.89 118.16 116.19 3juj n LYS 169 Ca 0.01 -3.59 -0.11 0.00 -1.05 0.00 0.00 58.31 53.56 3juj n LYS 169 Cb 0.31 -2.21 -0.09 0.00 -0.65 0.00 0.00 35.03 32.39 3juj n LYS 169 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3juj s TYR 170 N -3.63 1.00 -0.33 5.58 1.51 -0.98 -4.91 117.35 115.60 3juj s TYR 170 Ca 0.56 -1.27 -0.15 0.00 -1.01 0.00 0.00 57.07 55.20 3juj s TYR 170 Cb 0.46 -0.45 -0.02 0.00 -0.11 0.00 0.00 41.96 41.84 3juj s TYR 170 CO 0.02 -0.66 0.37 0.20 -1.11 0.00 0.00 175.55 174.37 3juj s GLY 171 N -3.12 1.89 0.07 0.71 0.00 -1.26 0.51 107.32 106.12 3juj s GLY 171 Ca 0.34 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.95 3juj s GLY 171 CO 0.10 1.01 0.11 0.14 0.00 0.00 0.00 173.10 174.45 3juj s VAL 172 N 2.05 4.74 0.38 1.40 1.01 -0.90 -0.62 120.40 128.47 3juj s VAL 172 Ca 0.13 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3juj s VAL 172 Cb -0.16 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 3juj s VAL 172 CO 0.12 0.14 0.54 -0.63 0.00 0.00 0.00 175.10 175.26 3juj s ILE 173 N -1.41 3.88 -0.36 2.22 1.09 -0.55 -1.34 121.20 124.73 3juj s ILE 173 Ca 0.30 -0.87 0.06 0.00 -1.10 0.00 0.00 60.65 59.04 3juj s ILE 173 Cb -0.12 -3.36 0.18 0.00 -1.06 0.00 0.00 42.46 38.09 3juj s ILE 173 CO 0.23 -0.17 0.55 -0.60 -0.10 0.00 0.00 174.94 174.86 3juj s ARG 174 N -4.30 0.68 0.32 2.79 3.00 -1.10 -3.91 118.95 116.43 3juj s ARG 174 Ca 0.47 -0.11 0.05 0.00 -1.00 0.00 0.00 55.73 55.14 3juj s ARG 174 Cb -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 34.95 34.79 3juj s ARG 174 CO 0.33 -1.14 0.18 0.41 0.00 0.00 0.00 175.30 175.08 3juj n GLY 175 N 4.75 3.23 3.55 8.12 0.00 -1.26 -1.51 105.19 122.07 3juj n GLY 175 Ca 0.08 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 3juj n GLY 175 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3juj s GLU 176 N -3.25 3.63 0.24 1.61 2.02 -0.76 -4.79 118.70 117.39 3juj s GLU 176 Ca 0.25 -0.44 -0.31 0.00 0.02 0.00 0.00 54.97 54.50 3juj s GLU 176 Cb 0.01 -3.77 -0.14 0.00 0.10 0.00 0.00 34.13 30.33 3juj s GLU 176 CO 0.18 -0.43 1.23 1.87 0.02 0.00 0.00 175.26 178.13 3juj n TRP 177 N 5.25 1.70 0.00 1.61 -0.00 -1.26 -1.90 117.44 122.84 3juj n TRP 177 Ca -0.11 0.58 0.00 0.00 -0.00 0.00 0.00 57.50 57.97 3juj n TRP 177 Cb 0.50 -2.35 0.00 0.00 -0.00 0.00 0.00 31.31 29.46 3juj n TRP 177 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3juj n LEU 178 N 1.77 1.73 0.00 5.87 4.32 -0.86 -4.89 117.00 124.95 3juj n LEU 178 Ca 0.12 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 56.04 3juj n LEU 178 Cb 0.30 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.09 3juj n LEU 178 CO 0.61 0.29 0.11 1.21 -1.22 0.00 0.00 177.39 178.39 3juj n GLU 179 N -2.07 0.38 -1.57 3.23 2.13 -1.22 -4.98 120.64 116.54 3juj n GLU 179 Ca 0.00 -1.36 -0.24 0.00 0.66 0.00 0.00 57.16 56.22 3juj n GLU 179 Cb 0.32 1.36 -0.05 0.00 0.27 0.00 0.00 31.44 33.34 3juj n GLU 179 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3juj s GLU 180 N -2.35 1.84 0.00 5.31 2.56 -1.26 -2.15 118.70 122.66 3juj s GLU 180 Ca 0.14 0.92 0.00 0.00 0.00 0.00 0.00 54.97 56.02 3juj s GLU 180 Cb -0.01 -4.69 0.00 0.00 2.00 0.00 0.00 34.13 31.43 3juj s GLU 180 CO 0.10 -3.89 0.00 0.41 -0.56 0.00 0.00 175.26 171.32 3juj n GLY 181 N 6.43 0.63 3.80 -1.50 0.00 -1.26 -4.96 105.19 108.33 3juj n GLY 181 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 3juj n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3juj s VAL 182 N -2.54 4.72 0.08 1.61 1.01 -0.91 -1.63 120.40 122.74 3juj s VAL 182 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3juj s VAL 182 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3juj s VAL 182 CO 0.00 0.22 0.08 -0.31 0.00 0.00 0.00 175.10 175.09 3juj s TYR 183 N -1.32 0.40 -0.31 5.22 1.51 -0.55 -2.02 117.35 120.28 3juj s TYR 183 Ca 0.27 -0.88 -0.07 0.00 -1.01 0.00 0.00 57.07 55.39 3juj s TYR 183 Cb -0.12 -0.25 0.02 0.00 -0.11 0.00 0.00 41.96 41.50 3juj s TYR 183 CO 0.19 -0.48 0.09 -2.00 -1.11 0.00 0.00 175.55 172.25 3juj s GLU 184 N -3.91 2.90 0.23 -0.62 2.12 -0.80 -1.12 118.70 117.51 3juj s GLU 184 Ca 0.09 -0.99 -0.32 0.00 0.36 0.00 0.00 54.97 54.11 3juj s GLU 184 Cb 0.06 -3.42 -0.13 0.00 0.26 0.00 0.00 34.13 30.91 3juj s GLU 184 CO -0.09 -0.54 1.55 -0.89 -0.54 0.00 0.00 175.26 174.76 3juj n ILE 185 N 4.85 0.60 0.00 -3.70 2.08 -0.81 -1.84 119.36 120.55 3juj n ILE 185 Ca -0.14 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.02 3juj n ILE 185 Cb 0.47 -1.72 0.00 0.00 -0.75 0.00 0.00 39.64 37.64 3juj n ILE 185 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3juj n LYS 186 N 2.69 2.62 -3.61 0.38 4.76 -0.57 -4.77 118.16 119.67 3juj n LYS 186 Ca 0.13 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.53 3juj n LYS 186 Cb 0.33 -0.78 -0.02 0.00 -1.84 0.00 0.00 35.03 32.72 3juj n LYS 186 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3juj s ASP 187 N -1.51 -0.12 -0.04 4.39 3.68 -1.14 -4.85 116.67 117.08 3juj s ASP 187 Ca 0.00 0.02 -0.02 0.00 2.13 0.00 0.00 52.55 54.68 3juj s ASP 187 Cb 0.00 0.12 0.03 0.00 -1.45 0.00 0.00 42.92 41.62 3juj s ASP 187 CO 0.00 -0.19 0.08 -0.04 0.13 0.00 0.00 175.17 175.16 3juj s MET 188 N -2.21 -0.00 -0.30 4.34 -1.94 -1.26 -2.71 119.30 115.22 3juj s MET 188 Ca 0.09 0.32 0.02 0.00 -1.71 0.00 0.00 55.69 54.41 3juj s MET 188 Cb -0.01 -0.28 0.07 0.00 2.01 0.00 0.00 34.83 36.62 3juj s MET 188 CO -0.04 -0.21 -0.03 0.14 -0.01 0.00 0.00 175.02 174.86 3juj s VAL 189 N 1.44 2.47 0.46 -6.03 -7.23 -0.45 -4.91 120.40 106.16 3juj s VAL 189 Ca -0.05 -1.74 -0.24 0.00 -1.81 0.00 0.00 61.98 58.13 3juj s VAL 189 Cb -0.12 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.21 3juj s VAL 189 CO -0.04 -0.20 1.37 -0.70 -0.31 0.00 0.00 175.10 175.22 3juj s GLU 190 N 1.10 3.62 0.00 4.82 2.56 -1.26 -2.11 118.70 127.43 3juj s GLU 190 Ca -0.03 2.28 0.00 0.00 0.00 0.00 0.00 54.97 57.22 3juj s GLU 190 Cb -0.20 -2.57 0.00 0.00 2.00 0.00 0.00 34.13 33.36 3juj s GLU 190 CO -0.05 -0.82 0.00 1.63 -0.56 0.00 0.00 175.26 175.46 3juj n LYS 191 N -0.34 0.00 -2.92 4.30 5.02 0.18 -4.88 118.16 119.51 3juj n LYS 191 Ca 0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.05 3juj n LYS 191 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.41 3juj n LYS 191 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3juj s PRO 192 N -1.05 3.79 0.36 1.97 0.04 -1.25 -4.87 135.00 133.98 3juj s PRO 192 Ca 0.00 0.45 -0.25 0.00 0.04 0.00 0.00 61.00 61.24 3juj s PRO 192 Cb 0.00 -2.42 -0.10 0.00 0.04 0.00 0.00 34.50 32.03 3juj s PRO 192 CO 0.00 0.00 0.99 -0.80 0.04 0.00 0.00 177.00 177.24 3juj s ASN 193 N -3.07 7.09 0.06 6.66 0.01 -1.26 -3.24 114.94 121.19 3juj s ASN 193 Ca 0.51 1.92 -0.06 0.00 -0.71 0.00 0.00 52.86 54.52 3juj s ASN 193 Cb -0.10 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 39.02 3juj s ASN 193 CO 0.30 -0.25 0.42 1.67 -1.51 0.00 0.00 177.10 177.73 3juj n GLN 194 N 0.28 -0.08 -0.21 -0.60 -0.06 -1.26 0.12 117.38 115.56 3juj n GLN 194 Ca 0.03 0.41 0.05 0.00 -2.00 0.00 0.00 57.00 55.49 3juj n GLN 194 Cb 0.50 -0.61 0.15 0.00 -4.06 0.00 0.00 30.24 26.22 3juj n GLN 194 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 3juj n GLU 195 N -4.38 1.95 -0.05 3.69 0.00 -1.26 -3.91 120.64 116.68 3juj n GLU 195 Ca 0.02 -1.23 -0.07 0.00 0.00 0.00 0.00 57.16 55.88 3juj n GLU 195 Cb 0.10 -1.37 -0.05 0.00 0.00 0.00 0.00 31.44 30.12 3juj n GLU 195 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3juj n ASP 196 N 0.43 3.12 -3.79 -1.84 8.00 0.32 -5.02 116.55 117.76 3juj n ASP 196 Ca 0.11 -0.05 -0.54 0.00 0.71 0.00 0.00 54.79 55.02 3juj n ASP 196 Cb 0.36 -0.16 -0.08 0.00 -0.02 0.00 0.00 41.12 41.21 3juj n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3juj n ALA 197 N -2.82 -0.90 1.49 2.24 0.00 -0.77 -4.80 120.51 114.95 3juj n ALA 197 Ca -0.18 0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.75 3juj n ALA 197 Cb 0.69 -1.58 0.72 0.00 0.00 0.00 0.00 19.45 19.27 3juj n ALA 197 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3juj n PRO 198 N 3.71 0.71 0.00 0.00 -0.04 -1.26 -4.90 135.00 133.22 3juj n PRO 198 Ca 0.28 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 3juj n PRO 198 Cb -0.05 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 3juj n PRO 198 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3juj n SER 199 N -1.05 0.00 -1.37 3.54 3.41 -1.25 -4.78 113.62 112.12 3juj n SER 199 Ca 0.17 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.81 3juj n SER 199 Cb 0.10 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.34 3juj n SER 199 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3juj n ASN 200 N 0.00 4.18 -4.39 4.04 6.94 -1.26 -4.83 115.26 119.93 3juj n ASN 200 Ca 0.00 -3.18 -0.44 0.00 -0.02 0.00 0.00 54.58 50.93 3juj n ASN 200 Cb 0.00 -0.63 -0.08 0.00 -2.36 0.00 0.00 39.78 36.71 3juj n ASN 200 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3juj s LEU 201 N -2.94 5.56 0.13 -4.53 1.02 -1.26 -1.32 118.68 115.34 3juj s LEU 201 Ca 0.48 -1.28 -0.08 0.00 0.02 0.00 0.00 54.13 53.27 3juj s LEU 201 Cb 0.39 -2.18 -0.06 0.00 0.02 0.00 0.00 46.19 44.36 3juj s LEU 201 CO 0.10 -0.62 0.43 0.00 0.02 0.00 0.00 176.35 176.27 3juj s ALA 202 N 1.64 3.71 0.12 4.21 0.00 0.14 -1.49 121.76 130.10 3juj s ALA 202 Ca 0.04 -0.41 -0.27 0.00 0.00 0.00 0.00 51.96 51.32 3juj s ALA 202 Cb -0.24 -2.26 -0.07 0.00 0.00 0.00 0.00 23.12 20.56 3juj s ALA 202 CO 0.07 0.59 0.85 0.08 0.00 0.00 0.00 175.76 177.35 3juj s VAL 203 N -1.57 4.49 0.26 0.00 1.01 0.21 -1.18 120.40 123.61 3juj s VAL 203 Ca 0.39 1.85 0.11 0.00 0.00 0.00 0.00 61.98 64.33 3juj s VAL 203 Cb -0.13 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 3juj s VAL 203 CO 0.21 0.40 -0.15 -0.63 0.00 0.00 0.00 175.10 174.94 3juj s ILE 204 N -0.43 2.76 -0.51 2.22 1.09 0.09 -4.69 121.20 121.73 3juj s ILE 204 Ca 0.41 -2.21 -0.18 0.00 -1.10 0.00 0.00 60.65 57.57 3juj s ILE 204 Cb -0.23 -2.44 -0.17 0.00 -1.06 0.00 0.00 42.46 38.56 3juj s ILE 204 CO 0.27 -0.36 1.76 0.61 -0.10 0.00 0.00 174.94 177.12 3juj n GLY 205 N -0.59 2.07 3.11 6.18 0.00 -1.26 -4.52 105.19 110.17 3juj n GLY 205 Ca -0.06 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 45.03 3juj n GLY 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3juj s ARG 206 N 5.17 0.53 0.28 1.61 1.81 -1.26 -2.42 118.95 124.66 3juj s ARG 206 Ca 0.49 0.86 0.04 0.00 -1.72 0.00 0.00 55.73 55.40 3juj s ARG 206 Cb 0.12 0.34 -0.06 0.00 -0.45 0.00 0.00 34.95 34.90 3juj s ARG 206 CO 0.13 -0.68 0.02 0.71 -0.68 0.00 0.00 175.30 174.79 3juj s TYR 207 N 2.80 1.79 -0.23 -0.53 2.02 -0.38 -1.45 117.35 121.36 3juj s TYR 207 Ca 0.18 -0.92 -0.03 0.00 -0.37 0.00 0.00 57.07 55.93 3juj s TYR 207 Cb -0.14 -1.09 0.10 0.00 -0.40 0.00 0.00 41.96 40.43 3juj s TYR 207 CO -0.21 0.01 0.24 0.42 -1.57 0.00 0.00 175.55 174.44 3juj s ILE 208 N -3.33 -0.34 0.10 2.71 1.01 -0.41 -1.03 121.20 119.92 3juj s ILE 208 Ca 0.32 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.81 3juj s ILE 208 Cb 0.07 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 3juj s ILE 208 CO 0.12 -0.30 -0.14 -0.76 0.00 0.00 0.00 174.94 173.86 3juj s LEU 209 N 2.33 2.84 0.16 2.97 1.43 0.94 0.11 118.68 129.46 3juj s LEU 209 Ca 0.08 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 3juj s LEU 209 Cb -0.15 -1.66 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 3juj s LEU 209 CO -0.18 0.19 0.67 0.42 0.23 0.00 0.00 176.35 177.68 3juj s THR 210 N -1.14 4.61 0.46 5.49 -4.23 -1.26 -1.09 115.64 118.48 3juj s THR 210 Ca 0.19 1.30 0.36 0.00 -1.18 0.00 0.00 61.69 62.36 3juj s THR 210 Cb -0.11 -3.92 0.55 0.00 1.34 0.00 0.00 72.50 70.37 3juj s THR 210 CO 0.11 0.38 1.54 -2.65 -0.54 0.00 0.00 174.62 173.46 3juj n PRO 211 N 1.21 -0.03 0.32 3.99 -0.02 -1.26 -0.60 135.00 138.61 3juj n PRO 211 Ca -0.06 1.20 0.19 0.00 -2.02 0.00 0.00 63.50 62.81 3juj n PRO 211 Cb 0.51 -2.45 1.05 0.00 -0.02 0.00 0.00 33.50 32.59 3juj n PRO 211 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3juj h ASP 212 N 0.00 0.00 -0.86 2.55 2.03 -1.96 -1.79 116.42 116.39 3juj h ASP 212 Ca 0.89 0.00 0.12 0.00 -0.73 0.00 0.00 57.03 57.31 3juj h ASP 212 Cb 3.03 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 41.45 3juj h ASP 212 CO -0.36 0.00 0.48 -0.29 -1.03 0.00 0.00 179.24 178.04 3juj h ILE 213 N 0.00 0.83 -0.10 4.15 6.09 -1.24 -1.79 117.51 125.44 3juj h ILE 213 Ca -0.00 -0.25 0.02 0.00 -1.37 0.00 0.00 64.86 63.26 3juj h ILE 213 Cb 0.01 0.03 -0.05 0.00 0.47 0.00 0.00 36.82 37.27 3juj h ILE 213 CO 0.00 0.13 -0.46 -0.26 -3.07 0.00 0.00 178.15 174.49 3juj h PHE 214 N 0.74 -1.37 -0.68 2.19 0.05 -1.53 0.31 116.94 116.65 3juj h PHE 214 Ca 0.44 0.05 0.14 0.00 3.82 0.00 0.00 57.97 62.42 3juj h PHE 214 Cb 0.51 0.61 -0.13 0.00 2.00 0.00 0.00 35.95 38.95 3juj h PHE 214 CO -0.07 -0.47 -0.12 1.49 -0.18 0.00 0.00 178.31 178.96 3juj h GLU 215 N -0.51 0.02 0.66 1.51 4.57 -1.54 0.32 114.58 119.62 3juj h GLU 215 Ca 0.02 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3juj h GLU 215 Cb 0.58 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 3juj h GLU 215 CO -0.36 0.02 -0.47 0.82 -1.18 0.00 0.00 179.01 177.83 3juj h ILE 216 N 0.03 0.06 -0.77 2.32 2.04 -0.33 -2.13 117.51 118.72 3juj h ILE 216 Ca 0.34 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.37 3juj h ILE 216 Cb 0.53 0.06 -0.14 0.00 -0.74 0.00 0.00 36.82 36.53 3juj h ILE 216 CO -0.67 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 177.34 3juj h LEU 217 N -1.09 -0.50 -1.84 1.44 -0.00 0.25 0.90 115.31 114.48 3juj h LEU 217 Ca -0.08 0.21 0.14 0.00 -0.00 0.00 0.00 57.88 58.15 3juj h LEU 217 Cb 0.90 0.40 -0.02 0.00 -0.00 0.00 0.00 40.66 41.94 3juj h LEU 217 CO 0.04 -0.22 0.56 -1.28 -0.00 0.00 0.00 178.44 177.55 3juj h SER 218 N 0.05 0.00 -0.00 -0.43 0.87 -0.31 0.12 113.55 113.85 3juj h SER 218 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 3juj h SER 218 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3juj h SER 218 CO -0.73 0.00 -0.86 -0.62 -0.53 0.00 0.00 176.83 174.09 3juj n GLU 219 N -3.61 0.43 -2.36 2.24 1.02 0.31 -4.96 120.64 113.71 3juj n GLU 219 Ca 0.10 -0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 56.60 3juj n GLU 219 Cb 0.76 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.68 3juj n GLU 219 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3juj s THR 220 N -2.83 4.04 0.31 2.62 2.01 0.41 -5.00 115.64 117.20 3juj s THR 220 Ca 0.10 1.38 -0.29 0.00 0.31 0.00 0.00 61.69 63.19 3juj s THR 220 Cb 0.16 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.69 3juj s THR 220 CO 0.78 -0.02 1.17 -0.54 -0.69 0.00 0.00 174.62 175.33 3juj s LYS 221 N 2.46 4.51 0.37 4.92 1.02 -1.26 -4.99 119.74 126.76 3juj s LYS 221 Ca 0.59 1.94 -0.24 0.00 0.02 0.00 0.00 55.97 58.28 3juj s LYS 221 Cb -0.27 -3.11 -0.10 0.00 -0.52 0.00 0.00 37.83 33.83 3juj s LYS 221 CO 0.23 0.05 0.96 -1.25 -0.92 0.00 0.00 175.35 174.42 3juj s PRO 222 N -1.62 4.41 0.00 -1.68 0.04 -1.26 -4.82 135.00 130.07 3juj s PRO 222 Ca 0.47 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3juj s PRO 222 Cb -0.34 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.62 3juj s PRO 222 CO 0.45 0.12 0.00 0.41 0.04 0.00 0.00 177.00 178.02 3juj n GLY 223 N 0.17 1.03 3.72 0.56 0.00 -0.45 -4.78 105.19 105.45 3juj n GLY 223 Ca 0.04 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3juj n GLY 223 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3juj s LYS 224 N 4.16 4.14 -1.36 1.61 2.20 -1.26 -1.17 119.74 128.05 3juj s LYS 224 Ca 0.00 2.57 -0.06 0.00 -0.36 0.00 0.00 55.97 58.12 3juj s LYS 224 Cb 0.00 -3.08 0.03 0.00 -1.51 0.00 0.00 37.83 33.27 3juj s LYS 224 CO 0.00 -0.72 0.99 0.09 -0.36 0.00 0.00 175.35 175.35 3juj n ASN 225 N 3.81 -3.92 -3.10 1.43 4.13 -1.26 -2.33 115.26 114.02 3juj n ASN 225 Ca 0.15 -0.68 -0.00 0.00 1.68 0.00 0.00 54.58 55.73 3juj n ASN 225 Cb 0.36 -4.56 -0.00 0.00 -1.54 0.00 0.00 39.78 34.04 3juj n ASN 225 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3juj n ASN 226 N -3.00 -0.01 -4.87 6.41 0.23 -0.31 -4.83 115.26 108.86 3juj n ASN 226 Ca -0.11 -0.01 -0.34 0.00 -0.53 0.00 0.00 54.58 53.59 3juj n ASN 226 Cb 0.60 -0.01 -0.05 0.00 -2.08 0.00 0.00 39.78 38.24 3juj n ASN 226 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3juj s GLU 227 N -3.99 3.77 -0.81 -3.83 -6.30 -0.98 -4.72 118.70 101.84 3juj s GLU 227 Ca 0.00 0.18 -0.10 0.00 -2.50 0.00 0.00 54.97 52.55 3juj s GLU 227 Cb -0.00 -2.89 0.21 0.00 0.00 0.00 0.00 34.13 31.45 3juj s GLU 227 CO 0.01 0.48 0.72 0.42 0.02 0.00 0.00 175.26 176.91 3juj s ILE 228 N -1.54 5.11 -0.33 -3.70 1.01 -1.26 -1.34 121.20 119.15 3juj s ILE 228 Ca 0.38 -2.76 -0.38 0.00 0.00 0.00 0.00 60.65 57.90 3juj s ILE 228 Cb -0.13 -4.18 -0.14 0.00 0.01 0.00 0.00 42.46 38.02 3juj s ILE 228 CO 0.20 -1.01 2.00 0.00 0.00 0.00 0.00 174.94 176.13 3juj n GLN 229 N 3.65 1.04 0.18 2.79 1.13 -1.26 -3.66 117.38 121.24 3juj n GLN 229 Ca 0.14 0.33 0.10 0.00 -1.94 0.00 0.00 57.00 55.63 3juj n GLN 229 Cb 0.44 -2.22 0.62 0.00 0.11 0.00 0.00 30.24 29.19 3juj n GLN 229 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3juj h ILE 230 N 6.29 0.96 -0.93 5.09 5.03 -1.96 0.11 117.51 132.10 3juj h ILE 230 Ca -0.34 -0.02 0.04 0.00 -0.12 0.00 0.00 64.86 64.42 3juj h ILE 230 Cb 1.33 0.89 -0.06 0.00 -3.03 0.00 0.00 36.82 35.95 3juj h ILE 230 CO 1.00 0.01 0.60 0.71 -0.68 0.00 0.00 178.15 179.79 3juj h THR 231 N 0.07 1.14 0.47 -0.27 1.35 -1.96 0.57 112.91 114.27 3juj h THR 231 Ca 0.07 -0.39 -0.02 0.00 -0.55 0.00 0.00 66.41 65.51 3juj h THR 231 Cb 0.19 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 3juj h THR 231 CO -0.01 0.21 -0.25 0.44 -0.25 0.00 0.00 175.52 175.66 3juj h ASP 232 N 1.15 -0.60 -0.14 5.36 3.32 -1.32 0.35 116.42 124.53 3juj h ASP 232 Ca 0.38 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.50 3juj h ASP 232 Cb 0.04 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 3juj h ASP 232 CO -0.13 -0.41 -0.14 0.00 -1.72 0.00 0.00 179.24 176.84 3juj h ALA 233 N -0.15 -0.04 -0.67 3.45 0.00 -1.17 0.20 119.26 120.89 3juj h ALA 233 Ca -0.06 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3juj h ALA 233 Cb 0.53 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3juj h ALA 233 CO 0.09 -0.59 0.41 -0.07 0.00 0.00 0.00 179.25 179.10 3juj h LEU 234 N -0.16 0.80 -0.51 0.00 3.38 0.24 0.60 115.31 119.65 3juj h LEU 234 Ca 0.09 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3juj h LEU 234 Cb 0.30 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3juj h LEU 234 CO -0.24 0.61 0.31 -0.09 0.09 0.00 0.00 178.44 179.13 3juj h ARG 235 N 0.91 0.60 -0.08 1.13 2.43 0.30 1.24 114.38 120.91 3juj h ARG 235 Ca 0.24 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3juj h ARG 235 Cb -0.04 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 3juj h ARG 235 CO -0.05 0.40 -0.13 1.15 -1.51 0.00 0.00 179.97 179.83 3juj h THR 236 N 0.62 0.65 -0.42 0.20 2.02 0.04 0.89 112.91 116.90 3juj h THR 236 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 3juj h THR 236 Cb 0.01 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3juj h THR 236 CO -0.09 0.00 0.18 -0.61 0.37 0.00 0.00 175.52 175.37 3juj h GLN 237 N -0.19 0.63 -0.78 6.66 4.15 -0.13 -2.50 115.11 122.95 3juj h GLN 237 Ca 0.07 -0.11 0.08 0.00 0.77 0.00 0.00 58.65 59.47 3juj h GLN 237 Cb 0.29 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 27.81 3juj h GLN 237 CO -0.19 0.57 0.45 0.00 -1.93 0.00 0.00 178.83 177.73 3juj h ALA 238 N 1.03 1.09 0.00 3.38 0.00 0.20 0.87 119.26 125.83 3juj h ALA 238 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3juj h ALA 238 Cb 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3juj h ALA 238 CO -0.01 0.10 0.00 0.87 0.00 0.00 0.00 179.25 180.21 3juj h LYS 239 N 0.78 0.00 0.04 0.00 1.57 -0.60 -3.09 116.57 115.27 3juj h LYS 239 Ca 0.37 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.02 3juj h LYS 239 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3juj h LYS 239 CO -0.22 0.00 -0.66 0.00 -0.57 0.00 0.00 179.45 178.00 3juj h ARG 240 N 0.00 0.08 -3.78 3.15 3.08 -0.57 -3.49 114.38 112.85 3juj h ARG 240 Ca 0.00 -0.14 -0.20 0.00 0.07 0.00 0.00 59.98 59.71 3juj h ARG 240 Cb 0.53 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 3juj h ARG 240 CO 0.00 1.07 -0.04 -1.59 -1.07 0.00 0.00 179.97 178.34 3juj s LYS 241 N -2.33 2.04 0.02 0.04 0.00 0.10 -5.11 119.74 114.51 3juj s LYS 241 Ca -0.21 -1.68 -0.30 0.00 0.00 0.00 0.00 55.97 53.78 3juj s LYS 241 Cb 0.01 0.50 -0.06 0.00 0.00 0.00 0.00 37.83 38.28 3juj s LYS 241 CO 0.70 -0.89 1.42 0.50 0.00 0.00 0.00 175.35 177.08 3juj s ARG 242 N -2.76 4.28 0.01 1.78 3.52 -1.26 -4.16 118.95 120.36 3juj s ARG 242 Ca 0.26 2.01 0.01 0.00 -0.13 0.00 0.00 55.73 57.88 3juj s ARG 242 Cb -0.02 -3.54 -0.01 0.00 -1.56 0.00 0.00 34.95 29.82 3juj s ARG 242 CO 0.18 -0.58 -0.04 0.96 -0.81 0.00 0.00 175.30 175.01 3juj s ILE 243 N 2.29 0.31 0.45 4.11 -4.36 -1.26 -4.71 121.20 118.02 3juj s ILE 243 Ca 0.65 -0.44 -0.05 0.00 -0.26 0.00 0.00 60.65 60.55 3juj s ILE 243 Cb -0.33 -0.32 -0.04 0.00 1.25 0.00 0.00 42.46 43.02 3juj s ILE 243 CO 0.27 -0.09 0.74 -0.63 0.24 0.00 0.00 174.94 175.47 3juj s ILE 244 N -0.53 4.94 -0.20 8.37 -1.09 -0.52 -1.92 121.20 130.25 3juj s ILE 244 Ca -0.03 0.12 -0.01 0.00 -2.23 0.00 0.00 60.65 58.50 3juj s ILE 244 Cb -0.04 -3.85 0.05 0.00 -1.58 0.00 0.00 42.46 37.04 3juj s ILE 244 CO -0.00 -0.76 -0.03 0.00 -1.23 0.00 0.00 174.94 172.92 3juj s ALA 245 N -2.62 1.55 -0.11 9.38 0.00 -0.27 -2.49 121.76 127.20 3juj s ALA 245 Ca 0.46 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 3juj s ALA 245 Cb -0.10 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3juj s ALA 245 CO 0.42 -1.01 -0.07 -0.47 0.00 0.00 0.00 175.76 174.63 3juj s TYR 246 N 1.60 2.94 -0.78 0.00 5.04 -0.32 -1.48 117.35 124.34 3juj s TYR 246 Ca -0.02 -0.19 -0.18 0.00 -2.44 0.00 0.00 57.07 54.24 3juj s TYR 246 Cb -0.17 -1.81 0.13 0.00 0.35 0.00 0.00 41.96 40.46 3juj s TYR 246 CO -0.07 0.12 0.92 -1.14 -1.34 0.00 0.00 175.55 174.04 3juj s GLN 247 N -0.24 3.38 1.05 4.97 0.74 -0.65 0.11 119.66 129.03 3juj s GLN 247 Ca 0.03 -1.64 -0.12 0.00 0.05 0.00 0.00 55.36 53.68 3juj s GLN 247 Cb -0.13 -4.56 0.22 0.00 1.10 0.00 0.00 33.01 29.65 3juj s GLN 247 CO 0.03 -1.63 1.07 -0.59 -0.55 0.00 0.00 175.29 173.62 3juj s PHE 248 N 2.41 1.74 -0.07 1.67 -0.12 -1.23 -4.93 117.98 117.45 3juj s PHE 248 Ca 0.23 1.21 0.01 0.00 -0.05 0.00 0.00 56.93 58.33 3juj s PHE 248 Cb -0.13 -3.18 -0.03 0.00 -0.63 0.00 0.00 43.02 39.06 3juj s PHE 248 CO -0.02 -3.26 -0.10 0.15 -0.05 0.00 0.00 175.22 171.93 3juj s LYS 249 N -4.69 2.80 0.00 1.99 1.02 -1.26 -5.01 119.74 114.58 3juj s LYS 249 Ca 0.67 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 56.04 3juj s LYS 249 Cb -0.22 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 3juj s LYS 249 CO 0.61 0.57 0.00 0.41 -0.92 0.00 0.00 175.35 176.02 3juj n GLY 250 N 2.48 1.15 3.63 -3.33 0.00 -1.26 -4.61 105.19 103.25 3juj n GLY 250 Ca -0.18 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 43.32 3juj n GLY 250 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3juj s LYS 251 N -1.13 2.40 -0.11 1.61 2.20 0.13 -4.93 119.74 119.90 3juj s LYS 251 Ca 0.00 -0.87 0.01 0.00 -0.36 0.00 0.00 55.97 54.74 3juj s LYS 251 Cb 0.00 -2.45 0.02 0.00 -1.51 0.00 0.00 37.83 33.89 3juj s LYS 251 CO 0.00 0.55 -0.11 0.50 -0.36 0.00 0.00 175.35 175.92 3juj s ARG 252 N -2.04 1.85 -0.17 4.03 3.52 -1.26 -0.27 118.95 124.61 3juj s ARG 252 Ca 0.22 -0.40 -0.08 0.00 -0.13 0.00 0.00 55.73 55.33 3juj s ARG 252 Cb -0.11 -1.73 -0.04 0.00 -1.56 0.00 0.00 34.95 31.51 3juj s ARG 252 CO 0.14 -0.17 0.11 0.71 -0.81 0.00 0.00 175.30 175.27 3juj s TYR 253 N 1.35 3.40 -0.88 5.12 1.51 0.10 -4.98 117.35 122.96 3juj s TYR 253 Ca -0.01 0.30 -0.22 0.00 -1.01 0.00 0.00 57.07 56.13 3juj s TYR 253 Cb -0.14 -2.07 0.07 0.00 -0.11 0.00 0.00 41.96 39.72 3juj s TYR 253 CO -0.06 0.36 1.25 0.34 -1.11 0.00 0.00 175.55 176.34 3juj s ASP 254 N -0.01 6.42 -0.02 2.29 3.68 -1.26 -2.59 116.67 125.18 3juj s ASP 254 Ca 0.08 -1.36 0.02 0.00 2.13 0.00 0.00 52.55 53.43 3juj s ASP 254 Cb -0.12 -2.50 0.08 0.00 -1.45 0.00 0.00 42.92 38.94 3juj s ASP 254 CO 0.00 -1.44 0.78 0.00 0.13 0.00 0.00 175.17 174.65 3juj h GLY 256 N 5.22 0.63 -3.93 0.00 0.00 -1.87 -3.42 103.07 99.69 3juj h GLY 256 Ca 0.00 -1.08 -0.55 0.00 0.00 0.00 0.00 47.33 45.70 3juj h GLY 256 CO 0.04 0.96 -0.50 -1.35 0.00 0.00 0.00 176.54 175.68 3juj s SER 257 N -7.17 6.04 0.39 0.19 1.04 -1.20 -4.90 113.70 108.09 3juj s SER 257 Ca -0.08 0.06 0.07 0.00 0.48 0.00 0.00 55.95 56.47 3juj s SER 257 Cb 0.08 -1.74 0.81 0.00 0.10 0.00 0.00 66.02 65.27 3juj s SER 257 CO 0.89 0.05 2.02 1.62 0.98 0.00 0.00 173.24 178.81 3juj h VAL 258 N 1.77 1.08 0.26 5.02 3.04 -1.88 -1.83 116.25 123.70 3juj h VAL 258 Ca -0.48 -0.22 -0.01 0.00 -1.01 0.00 0.00 66.70 64.97 3juj h VAL 258 Cb 1.20 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 3juj h VAL 258 CO 0.66 0.12 -0.12 -0.08 -1.01 0.00 0.00 177.57 177.14 3juj h GLU 259 N 0.64 -0.33 -0.90 4.17 4.81 -1.94 -2.05 114.58 118.98 3juj h GLU 259 Ca 0.21 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3juj h GLU 259 Cb 0.06 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 3juj h GLU 259 CO -0.05 -0.19 0.59 0.78 -0.73 0.00 0.00 179.01 179.41 3juj h GLY 260 N -0.39 1.29 0.53 1.92 0.00 -1.47 -1.18 103.07 103.78 3juj h GLY 260 Ca -0.04 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 46.87 3juj h GLY 260 CO 0.06 0.42 -0.14 -1.82 0.00 0.00 0.00 176.54 175.07 3juj h TYR 261 N 1.18 -0.35 0.48 5.60 3.20 -1.18 0.59 116.97 126.50 3juj h TYR 261 Ca 0.34 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.21 3juj h TYR 261 Cb -0.07 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3juj h TYR 261 CO -0.01 -0.20 -0.23 0.82 -1.64 0.00 0.00 178.16 176.90 3juj h ILE 262 N -0.18 0.53 -0.90 1.81 1.08 -1.06 -0.22 117.51 118.57 3juj h ILE 262 Ca 0.08 -0.06 0.19 0.00 -0.39 0.00 0.00 64.86 64.68 3juj h ILE 262 Cb 0.30 0.56 -0.11 0.00 -3.07 0.00 0.00 36.82 34.49 3juj h ILE 262 CO -0.21 0.01 0.45 -0.33 -0.69 0.00 0.00 178.15 177.38 3juj h GLU 263 N -0.68 0.54 -0.75 2.37 5.08 -1.01 -0.16 114.58 119.96 3juj h GLU 263 Ca -0.07 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3juj h GLU 263 Cb 0.51 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3juj h GLU 263 CO 0.11 0.35 0.30 0.00 -1.00 0.00 0.00 179.01 178.77 3juj h ALA 264 N 1.64 0.98 -0.12 3.43 0.00 0.73 -2.64 119.26 123.27 3juj h ALA 264 Ca 0.53 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 3juj h ALA 264 Cb 0.88 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3juj h ALA 264 CO -0.44 0.61 -0.61 0.66 0.00 0.00 0.00 179.25 179.47 3juj h SER 265 N 1.09 0.75 0.55 0.00 4.64 0.68 -3.00 113.55 118.26 3juj h SER 265 Ca 0.25 -0.64 -0.02 0.00 -0.47 0.00 0.00 61.79 60.91 3juj h SER 265 Cb 0.22 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3juj h SER 265 CO -0.02 1.27 -0.38 0.78 -0.87 0.00 0.00 176.83 177.60 3juj h ASN 266 N 0.28 -0.99 -0.74 4.97 2.35 -1.19 0.00 115.58 120.26 3juj h ASN 266 Ca -0.04 0.07 0.15 0.00 -0.55 0.00 0.00 56.30 55.92 3juj h ASN 266 Cb 1.25 0.30 -0.14 0.00 0.05 0.00 0.00 38.32 39.78 3juj h ASN 266 CO 0.13 -0.58 -0.20 0.00 -1.65 0.00 0.00 177.43 175.13 3juj h ALA 267 N -0.58 0.45 0.00 -0.83 0.00 -1.56 0.75 119.26 117.49 3juj h ALA 267 Ca -0.06 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3juj h ALA 267 Cb 0.75 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3juj h ALA 267 CO 0.04 -0.43 0.00 1.88 0.00 0.00 0.00 179.25 180.73 3juj h TYR 268 N -0.01 0.00 0.11 0.00 0.05 -1.33 0.24 116.97 116.03 3juj h TYR 268 Ca 0.35 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.89 3juj h TYR 268 Cb 0.55 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.31 3juj h TYR 268 CO -0.60 0.00 -1.02 -0.92 -1.05 0.00 0.00 178.16 174.57 3juj h TYR 269 N 0.00 0.81 -0.66 4.88 3.20 0.24 -3.11 116.97 122.33 3juj h TYR 269 Ca 0.00 -0.52 -0.06 0.00 3.14 0.00 0.00 58.73 61.28 3juj h TYR 269 Cb 0.41 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3juj h TYR 269 CO 0.00 1.37 0.15 0.87 -1.64 0.00 0.00 178.16 178.92 3juj h LYS 270 N 0.02 1.05 -0.73 1.82 6.56 -0.18 -2.14 116.57 122.98 3juj h LYS 270 Ca -0.16 -0.24 0.15 0.00 -1.06 0.00 0.00 60.65 59.34 3juj h LYS 270 Cb 1.74 -0.14 -0.10 0.00 -0.57 0.00 0.00 32.23 33.16 3juj h LYS 270 CO 0.19 0.93 0.23 -0.22 -2.06 0.00 0.00 179.45 178.52 3juj h LYS 271 N 0.99 0.33 -6.04 3.15 3.64 -0.56 -3.33 116.57 114.76 3juj h LYS 271 Ca 0.21 -0.02 -0.50 0.00 -1.27 0.00 0.00 60.65 59.07 3juj h LYS 271 Cb 0.36 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 3juj h LYS 271 CO 0.00 0.22 1.27 1.03 -2.27 0.00 0.00 179.45 179.70 3juj s ARG 272 N -6.04 2.74 0.00 1.90 0.52 -0.80 -5.09 118.95 112.18 3juj s ARG 272 Ca -0.13 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 3juj s ARG 272 Cb 0.21 -4.39 0.00 0.00 0.52 0.00 0.00 34.95 31.28 3juj s ARG 272 CO 0.76 -2.65 0.00 1.47 0.02 0.00 0.00 175.30 174.90