#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juj s ILE 2 N 0.00 4.80 0.05 2.02 1.01 -1.26 -4.99 121.20 122.82 3juj s ILE 2 Ca 0.00 -1.10 -0.27 0.00 0.00 0.00 0.00 60.65 59.28 3juj s ILE 2 Cb 0.00 -3.84 -0.17 0.00 0.01 0.00 0.00 42.46 38.46 3juj s ILE 2 CO 0.00 -0.47 1.49 0.11 0.00 0.00 0.00 174.94 176.07 3juj h LYS 3 N 8.58 -0.41 -6.48 2.79 6.56 -1.86 -3.32 116.57 122.42 3juj h LYS 3 Ca -0.26 0.03 -0.53 0.00 -1.06 0.00 0.00 60.65 58.83 3juj h LYS 3 Cb 1.10 0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.83 3juj h LYS 3 CO 0.79 -0.18 -0.10 0.15 -2.06 0.00 0.00 179.45 178.05 3juj s LYS 4 N -5.48 3.75 -0.06 3.15 1.02 -1.26 -0.59 119.74 120.27 3juj s LYS 4 Ca -0.15 0.22 -0.02 0.00 0.02 0.00 0.00 55.97 56.03 3juj s LYS 4 Cb 0.04 -2.63 0.03 0.00 -0.52 0.00 0.00 37.83 34.75 3juj s LYS 4 CO 0.61 0.26 0.05 0.00 -0.92 0.00 0.00 175.35 175.34 3juj s LEU 6 N 2.11 4.49 -0.50 0.00 0.20 0.35 -1.29 118.68 124.04 3juj s LEU 6 Ca 0.05 1.53 0.03 0.00 0.69 0.00 0.00 54.13 56.43 3juj s LEU 6 Cb -0.13 -3.38 0.15 0.00 -0.43 0.00 0.00 46.19 42.40 3juj s LEU 6 CO -0.04 0.15 0.31 -0.36 -0.29 0.00 0.00 176.35 176.12 3juj s PHE 7 N -1.29 2.37 -0.32 5.38 0.40 -0.40 -1.75 117.98 122.37 3juj s PHE 7 Ca 0.38 -2.71 -0.28 0.00 -0.60 0.00 0.00 56.93 53.72 3juj s PHE 7 Cb -0.20 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 3juj s PHE 7 CO 0.24 -0.73 2.00 -2.14 0.70 0.00 0.00 175.22 175.29 3juj s PRO 8 N -0.17 3.12 -0.36 0.24 0.02 -1.26 -2.26 135.00 134.33 3juj s PRO 8 Ca 0.21 1.59 0.13 0.00 0.02 0.00 0.00 61.00 62.96 3juj s PRO 8 Cb -0.16 -4.30 0.38 0.00 0.02 0.00 0.00 34.50 30.43 3juj s PRO 8 CO -0.06 -2.11 0.81 0.00 -0.33 0.00 0.00 177.00 175.30 3juj n ALA 9 N 11.39 2.26 -0.00 -1.55 0.00 -1.10 -4.81 120.51 126.70 3juj n ALA 9 Ca 0.26 -3.24 -0.00 0.00 0.00 0.00 0.00 53.44 50.46 3juj n ALA 9 Cb 0.47 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.19 1.99 -0.90 0.00 0.00 -1.25 -4.21 120.51 116.33 3juj n ALA 10 Ca 0.20 -0.03 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 3juj n ALA 10 Cb 0.70 0.22 -0.07 0.00 0.00 0.00 0.00 19.45 20.31 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 2.93 -0.00 0.00 0.00 0.00 -1.26 -4.61 105.19 102.25 3juj n GLY 11 Ca -0.01 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 3.71 0.00 -4.17 1.61 4.01 -1.26 -4.69 117.16 116.36 3juj n TYR 12 Ca 0.28 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.72 3juj n TYR 12 Cb -0.03 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.91 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 -0.75 -0.15 0.30 2.72 0.00 -1.26 -4.74 105.19 101.31 3juj n GLY 13 Ca 0.00 0.15 0.19 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.40 0.00 0.00 2.61 2.02 -1.98 -0.90 112.91 113.25 3juj h THR 14 Ca -0.59 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3juj h THR 14 Cb 1.27 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3juj h THR 14 CO 0.67 0.00 0.00 0.54 0.37 0.00 0.00 175.52 177.10 3juj n ARG 15 N -2.86 0.17 -0.27 6.66 3.00 -1.26 -3.17 116.66 118.92 3juj n ARG 15 Ca -0.03 0.29 0.08 0.00 -0.01 0.00 0.00 57.85 58.18 3juj n ARG 15 Cb 0.08 -1.76 0.19 0.00 0.00 0.00 0.00 32.46 30.97 3juj n ARG 15 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3juj n PHE 16 N -2.07 0.55 -1.40 -1.55 3.01 -0.34 -4.79 117.46 110.86 3juj n PHE 16 Ca 0.04 -0.83 -0.33 0.00 1.01 0.00 0.00 57.45 57.34 3juj n PHE 16 Cb 0.30 -0.21 0.09 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 -2.43 3.24 0.31 4.37 1.02 -1.19 -3.10 118.68 120.89 3juj s LEU 17 Ca 0.33 2.16 0.22 0.00 0.02 0.00 0.00 54.13 56.86 3juj s LEU 17 Cb 0.27 -4.57 0.15 0.00 0.02 0.00 0.00 46.19 42.06 3juj s LEU 17 CO 0.08 -2.17 1.32 1.55 0.02 0.00 0.00 176.35 177.15 3juj h PRO 18 N -0.52 0.00 -0.93 1.29 0.13 -1.95 -3.45 132.00 126.57 3juj h PRO 18 Ca -0.46 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 64.93 3juj h PRO 18 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 3juj h PRO 18 CO 0.50 0.07 0.66 0.97 -0.23 0.00 0.00 178.00 179.97 3juj h ILE 19 N 0.00 0.54 0.00 -3.56 2.10 -1.94 0.40 117.51 115.05 3juj h ILE 19 Ca -0.01 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.92 3juj h ILE 19 Cb 1.08 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 3juj h ILE 19 CO 0.01 0.00 0.00 0.41 -1.08 0.00 0.00 178.15 177.49 3juj n THR 20 N -4.27 0.41 0.24 2.19 -1.04 -1.18 -1.28 114.28 109.34 3juj n THR 20 Ca 0.19 0.10 0.12 0.00 -2.04 0.00 0.00 64.05 62.42 3juj n THR 20 Cb 0.98 -0.90 0.52 0.00 -1.82 0.00 0.00 70.33 69.11 3juj n THR 20 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3juj h LYS 21 N 0.00 0.00 0.00 -2.82 3.64 -0.51 -3.38 116.57 113.50 3juj h LYS 21 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3juj h LYS 21 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3juj h LYS 21 CO 0.00 0.17 -0.24 2.41 -2.27 0.00 0.00 179.45 179.52 3juj n THR 22 N -3.34 0.00 -3.62 1.00 -1.04 -0.88 -4.93 114.28 101.48 3juj n THR 22 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 3juj n THR 22 Cb 0.39 -0.24 -0.11 0.00 -1.82 0.00 0.00 70.33 68.55 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 -1.23 4.79 0.44 12.58 -1.09 -0.41 -4.84 121.20 131.45 3juj s ILE 23 Ca 0.00 -0.39 -0.25 0.00 -2.23 0.00 0.00 60.65 57.77 3juj s ILE 23 Cb 0.00 -3.46 -0.09 0.00 -1.58 0.00 0.00 42.46 37.33 3juj s ILE 23 CO 0.00 0.02 1.36 -0.81 -1.23 0.00 0.00 174.94 174.28 3juj n PRO 24 N 5.02 2.09 -0.23 2.79 -0.04 -1.26 -4.15 135.00 139.22 3juj n PRO 24 Ca -0.13 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3juj n PRO 24 Cb 0.49 -2.52 0.07 0.00 -0.04 0.00 0.00 33.50 31.51 3juj n PRO 24 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3juj h LYS 25 N 2.18 0.00 0.00 0.54 3.11 -1.89 0.26 116.57 120.78 3juj h LYS 25 Ca -0.49 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 3juj h LYS 25 Cb 1.28 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.51 3juj h LYS 25 CO 0.60 0.00 0.02 0.39 -2.81 0.00 0.00 179.45 177.66 3juj n GLU 26 N -5.45 0.11 -0.23 1.90 4.71 -1.26 -1.13 120.64 119.30 3juj n GLU 26 Ca 0.09 0.60 0.12 0.00 -0.01 0.00 0.00 57.16 57.95 3juj n GLU 26 Cb 0.35 -1.88 0.25 0.00 -1.01 0.00 0.00 31.44 29.15 3juj n GLU 26 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 3juj n MET 27 N -2.08 2.51 -2.25 3.49 2.81 0.91 -0.68 117.12 121.84 3juj n MET 27 Ca -0.01 -2.30 -0.41 0.00 -1.81 0.00 0.00 57.70 53.16 3juj n MET 27 Cb 0.05 -1.52 -0.03 0.00 -0.71 0.00 0.00 33.22 31.01 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 -1.38 4.43 0.42 4.03 1.43 -0.28 -4.66 118.68 122.68 3juj s LEU 28 Ca 0.41 2.39 -0.22 0.00 -1.03 0.00 0.00 54.13 55.68 3juj s LEU 28 Cb 0.23 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.74 3juj s LEU 28 CO 0.32 -0.48 0.99 -2.16 0.23 0.00 0.00 176.35 175.24 3juj s PRO 29 N -0.34 4.16 0.00 1.29 0.04 -1.26 -1.28 135.00 137.60 3juj s PRO 29 Ca 0.55 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.86 3juj s PRO 29 Cb -0.36 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 31.88 3juj s PRO 29 CO 0.39 -0.10 0.00 -0.89 0.04 0.00 0.00 177.00 176.44 3juj n ILE 30 N -0.47 0.00 -0.06 0.56 2.08 -0.21 -4.88 119.36 116.38 3juj n ILE 30 Ca 0.07 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.31 3juj n ILE 30 Cb 0.52 -0.35 -0.02 0.00 -0.75 0.00 0.00 39.64 39.05 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 -0.80 1.32 -1.17 1.39 0.24 -1.26 -4.74 118.33 113.31 3juj n VAL 31 Ca 0.00 0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 3juj n VAL 31 Cb 0.00 -2.16 0.00 0.00 -1.47 0.00 0.00 33.84 30.21 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 -4.15 0.00 -4.47 -1.34 5.68 -1.26 -5.08 116.55 105.94 3juj n ASP 32 Ca -0.11 -1.00 -0.33 0.00 -0.50 0.00 0.00 54.79 52.85 3juj n ASP 32 Cb 0.40 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.25 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 2.67 0.62 0.11 1.02 -1.26 -5.04 119.74 117.86 3juj s LYS 33 Ca 0.00 -0.68 -0.16 0.00 0.02 0.00 0.00 55.97 55.14 3juj s LYS 33 Cb 0.00 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 3juj s LYS 33 CO 0.00 0.56 1.11 -1.25 -0.92 0.00 0.00 175.35 174.84 3juj s PRO 34 N -0.55 3.01 0.15 -1.68 0.04 -1.26 -1.04 135.00 133.67 3juj s PRO 34 Ca 0.08 1.42 -0.22 0.00 0.04 0.00 0.00 61.00 62.32 3juj s PRO 34 Cb -0.12 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.49 3juj s PRO 34 CO 0.01 -1.09 1.62 1.25 0.04 0.00 0.00 177.00 178.84 3juj h LEU 35 N 0.39 -0.82 -1.87 -3.56 5.85 -0.85 -1.61 115.31 112.84 3juj h LEU 35 Ca -0.48 0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.56 3juj h LEU 35 Cb 1.25 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 3juj h LEU 35 CO 0.55 -0.28 0.58 -0.29 -0.34 0.00 0.00 178.44 178.66 3juj h ILE 36 N -0.24 0.35 -0.18 4.05 6.09 -1.21 -0.88 117.51 125.49 3juj h ILE 36 Ca 0.15 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 63.51 3juj h ILE 36 Cb 0.47 0.54 -0.01 0.00 0.47 0.00 0.00 36.82 38.30 3juj h ILE 36 CO -0.42 0.00 -0.43 -0.61 -3.07 0.00 0.00 178.15 173.62 3juj h GLN 37 N 0.00 0.44 -0.46 2.19 4.15 -1.56 -1.09 115.11 118.77 3juj h GLN 37 Ca 0.27 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 3juj h GLN 37 Cb 1.44 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.11 3juj h GLN 37 CO -0.00 0.79 0.13 1.88 -1.93 0.00 0.00 178.83 179.69 3juj h TYR 38 N 0.36 0.77 0.88 3.99 0.05 -1.24 0.16 116.97 121.94 3juj h TYR 38 Ca 0.03 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 3juj h TYR 38 Cb 0.90 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 38.43 3juj h TYR 38 CO 0.03 0.69 -0.42 0.00 -1.05 0.00 0.00 178.16 177.41 3juj h ALA 39 N 0.99 -1.28 -0.95 3.88 0.00 -1.47 0.52 119.26 120.95 3juj h ALA 39 Ca 0.15 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.94 3juj h ALA 39 Cb 0.30 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3juj h ALA 39 CO -0.00 -1.19 0.60 0.28 0.00 0.00 0.00 179.25 178.94 3juj h VAL 40 N -1.22 0.84 -0.69 0.00 2.07 -1.20 0.16 116.25 116.20 3juj h VAL 40 Ca -0.12 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3juj h VAL 40 Cb 0.91 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3juj h VAL 40 CO 0.20 0.14 0.44 -0.08 0.02 0.00 0.00 177.57 178.29 3juj h GLU 41 N 0.79 0.93 0.86 1.57 4.57 -0.37 0.21 114.58 123.14 3juj h GLU 41 Ca 0.49 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.56 3juj h GLU 41 Cb 0.69 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3juj h GLU 41 CO -0.25 0.63 -0.43 1.49 -1.18 0.00 0.00 179.01 179.27 3juj h GLU 42 N 0.94 -1.14 -0.88 1.92 4.81 0.16 -2.32 114.58 118.06 3juj h GLU 42 Ca 0.25 0.08 0.22 0.00 -0.13 0.00 0.00 59.36 59.78 3juj h GLU 42 Cb -0.07 0.26 -0.13 0.00 0.63 0.00 0.00 28.75 29.44 3juj h GLU 42 CO -0.05 -0.76 0.35 0.00 -0.73 0.00 0.00 179.01 177.82 3juj h ALA 43 N -1.40 1.39 -0.36 2.92 0.00 -0.91 0.07 119.26 120.97 3juj h ALA 43 Ca -0.12 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3juj h ALA 43 Cb 0.91 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3juj h ALA 43 CO 0.18 -0.38 0.20 1.98 0.00 0.00 0.00 179.25 181.24 3juj h MET 44 N 0.35 0.49 0.00 0.00 1.85 -0.81 -1.36 114.93 115.44 3juj h MET 44 Ca 0.55 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.59 3juj h MET 44 Cb 1.07 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 33.00 3juj h MET 44 CO -0.56 0.39 0.00 0.93 -0.40 0.00 0.00 176.91 177.28 3juj h GLU 45 N 0.45 0.00 -0.09 0.39 5.08 -0.47 -1.49 114.58 118.47 3juj h GLU 45 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3juj h GLU 45 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3juj h GLU 45 CO -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.99 3juj n ALA 46 N -1.81 2.57 0.00 3.43 0.00 -0.47 -4.88 120.51 119.34 3juj n ALA 46 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3juj n ALA 46 Cb 0.23 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.04 1.10 3.75 0.00 0.00 -0.56 -4.76 105.19 105.76 3juj n GLY 47 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 0.49 2.65 -3.93 0.00 1.02 0.25 -4.39 120.64 116.72 3juj n GLU 49 Ca 0.02 -0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 3juj n GLU 49 Cb 0.38 -1.12 -0.14 0.00 -0.02 0.00 0.00 31.44 30.54 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 -2.16 3.06 -0.59 2.62 1.01 -0.87 -1.08 120.40 122.40 3juj s VAL 50 Ca -0.02 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 3juj s VAL 50 Cb 0.02 -2.53 0.10 0.00 0.00 0.00 0.00 36.38 33.97 3juj s VAL 50 CO 0.19 0.22 0.71 -0.04 0.00 0.00 0.00 175.10 176.19 3juj s MET 51 N 1.37 3.05 -0.60 2.72 -1.94 0.79 -1.79 119.30 122.88 3juj s MET 51 Ca 0.01 -1.29 -0.21 0.00 -1.71 0.00 0.00 55.69 52.50 3juj s MET 51 Cb -0.16 -4.26 0.08 0.00 2.01 0.00 0.00 34.83 32.50 3juj s MET 51 CO -0.04 -1.54 0.81 0.00 -0.01 0.00 0.00 175.02 174.24 3juj s ALA 52 N 2.72 3.28 -0.17 3.03 0.00 -0.41 -2.09 121.76 128.12 3juj s ALA 52 Ca 0.12 -1.96 -0.13 0.00 0.00 0.00 0.00 51.96 49.99 3juj s ALA 52 Cb -0.24 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.19 3juj s ALA 52 CO 0.07 -2.47 0.27 0.42 0.00 0.00 0.00 175.76 174.05 3juj s ILE 53 N 3.27 5.32 -0.97 0.00 1.01 -0.14 -1.27 121.20 128.42 3juj s ILE 53 Ca 0.17 0.49 -0.12 0.00 0.00 0.00 0.00 60.65 61.19 3juj s ILE 53 Cb -0.20 -3.61 0.25 0.00 0.01 0.00 0.00 42.46 38.91 3juj s ILE 53 CO 0.09 0.39 0.94 -0.69 0.00 0.00 0.00 174.94 175.67 3juj s VAL 54 N 0.51 5.78 1.11 2.92 1.01 -0.96 -2.76 120.40 128.01 3juj s VAL 54 Ca 0.15 -2.91 -0.17 0.00 0.00 0.00 0.00 61.98 59.05 3juj s VAL 54 Cb -0.13 -4.54 0.25 0.00 0.00 0.00 0.00 36.38 31.96 3juj s VAL 54 CO 0.03 -1.12 1.14 0.42 0.00 0.00 0.00 175.10 175.57 3juj s THR 55 N -0.46 1.76 0.00 3.92 -4.23 -0.92 -2.70 115.64 113.00 3juj s THR 55 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 3juj s THR 55 Cb -0.10 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.16 3juj s THR 55 CO -0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 3juj n GLY 56 N -1.47 3.80 0.00 3.99 0.00 -1.26 -1.63 105.19 108.62 3juj n GLY 56 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.95 1.61 3.00 -1.26 -4.59 116.66 112.46 3juj n ARG 57 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 3juj n ARG 57 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 32.46 31.92 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 -2.34 7.15 0.00 6.15 0.02 -1.26 -4.86 114.94 119.80 3juj s ASN 58 Ca 0.00 1.38 0.00 0.00 -1.02 0.00 0.00 52.86 53.22 3juj s ASN 58 Cb 0.00 -2.47 0.00 0.00 0.02 0.00 0.00 41.25 38.80 3juj s ASN 58 CO 0.00 -0.10 0.00 2.29 0.02 0.00 0.00 177.10 179.31 3juj n LYS 59 N 3.47 0.00 0.25 -0.60 -0.00 -1.26 -4.63 118.16 115.39 3juj n LYS 59 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.42 3juj n LYS 59 Cb 0.51 -0.02 0.66 0.00 -0.00 0.00 0.00 35.03 36.18 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 0.00 -0.04 -1.58 1.12 -1.96 0.78 114.38 112.70 3juj h ARG 60 Ca 0.00 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.69 3juj h ARG 60 Cb 0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.05 3juj h ARG 60 CO 0.00 0.15 -0.75 0.66 -3.11 0.00 0.00 179.97 176.92 3juj h SER 61 N 0.00 0.35 0.00 -3.80 4.64 -1.94 0.30 113.55 113.10 3juj h SER 61 Ca -0.00 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3juj h SER 61 Cb 0.38 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3juj h SER 61 CO 0.02 0.98 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.88 3juj h LEU 62 N 0.19 -0.00 -0.76 5.97 3.38 -1.04 -2.53 115.31 120.51 3juj h LEU 62 Ca -0.03 -0.76 -0.11 0.00 0.09 0.00 0.00 57.88 57.07 3juj h LEU 62 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3juj h LEU 62 CO 0.12 0.77 -0.23 -0.33 0.09 0.00 0.00 178.44 178.85 3juj h GLU 63 N -0.78 0.68 -0.20 1.13 5.08 0.39 -3.02 114.58 117.87 3juj h GLU 63 Ca -0.00 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 3juj h GLU 63 Cb 0.77 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3juj h GLU 63 CO 0.00 0.86 -0.26 -0.44 -1.00 0.00 0.00 179.01 178.17 3juj h ASP 64 N 0.60 0.38 -0.80 1.42 3.32 -0.49 -3.17 116.42 117.68 3juj h ASP 64 Ca 0.08 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.06 3juj h ASP 64 Cb 0.72 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 3juj h ASP 64 CO 0.06 0.64 0.50 0.22 -1.72 0.00 0.00 179.24 178.93 3juj h TYR 65 N 0.33 0.93 -0.31 4.55 3.20 -1.31 -1.81 116.97 122.55 3juj h TYR 65 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3juj h TYR 65 Cb 0.64 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.61 3juj h TYR 65 CO 0.02 0.50 0.00 1.19 -1.64 0.00 0.00 178.16 178.23 3juj n PHE 66 N -4.63 0.69 -3.67 -3.82 3.01 -1.20 -4.81 117.46 103.03 3juj n PHE 66 Ca 0.10 -0.28 -0.36 0.00 1.01 0.00 0.00 57.45 57.92 3juj n PHE 66 Cb 0.13 -0.13 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 3juj n PHE 66 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3juj s ASP 67 N -0.71 6.60 -0.64 4.37 -0.00 -0.68 -4.87 116.67 120.74 3juj s ASP 67 Ca 0.24 0.71 -0.27 0.00 -0.00 0.00 0.00 52.55 53.23 3juj s ASP 67 Cb 0.15 -2.15 0.03 0.00 -0.00 0.00 0.00 42.92 40.95 3juj s ASP 67 CO 0.12 0.30 1.20 0.28 -0.00 0.00 0.00 175.17 177.07 3juj s THR 68 N -1.17 3.95 -0.23 -1.27 -1.32 -1.26 -4.99 115.64 109.35 3juj s THR 68 Ca 0.24 0.66 -0.22 0.00 -1.21 0.00 0.00 61.69 61.15 3juj s THR 68 Cb -0.14 -4.78 -0.01 0.00 -1.51 0.00 0.00 72.50 66.05 3juj s THR 68 CO 0.12 -1.51 0.72 -0.94 -2.21 0.00 0.00 174.62 170.80 3juj s SER 69 N 3.24 6.72 -0.09 8.08 1.04 -1.26 -4.97 113.70 126.46 3juj s SER 69 Ca 0.39 0.89 -0.19 0.00 0.48 0.00 0.00 55.95 57.52 3juj s SER 69 Cb -0.08 -2.38 -0.28 0.00 0.10 0.00 0.00 66.02 63.37 3juj s SER 69 CO 0.21 -0.40 0.69 1.88 0.98 0.00 0.00 173.24 176.60 3juj h TYR 70 N 7.69 0.44 -0.72 5.02 0.05 -1.98 -3.28 116.97 124.19 3juj h TYR 70 Ca -0.27 -0.32 0.23 0.00 0.05 0.00 0.00 58.73 58.43 3juj h TYR 70 Cb 1.12 -0.02 -0.13 0.00 1.01 0.00 0.00 36.73 38.71 3juj h TYR 70 CO 0.74 1.42 0.14 -1.91 -1.05 0.00 0.00 178.16 177.50 3juj n GLU 71 N -4.07 -0.05 0.02 4.88 2.13 -1.26 0.43 120.64 122.71 3juj n GLU 71 Ca -0.20 1.04 -0.01 0.00 0.66 0.00 0.00 57.16 58.66 3juj n GLU 71 Cb 0.83 -1.73 -0.10 0.00 0.27 0.00 0.00 31.44 30.72 3juj n GLU 71 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3juj n ILE 72 N -4.86 1.16 0.21 6.31 3.06 -1.26 -1.99 119.36 121.99 3juj n ILE 72 Ca 0.20 -0.70 0.07 0.00 -2.50 0.00 0.00 62.75 59.83 3juj n ILE 72 Cb 0.68 -0.69 0.42 0.00 0.54 0.00 0.00 39.64 40.59 3juj n ILE 72 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 3juj h GLU 73 N 0.00 0.00 0.00 9.51 5.08 -0.08 -3.22 114.58 125.88 3juj h GLU 73 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3juj h GLU 73 Cb 1.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.87 3juj h GLU 73 CO 0.04 0.30 -0.04 1.25 -1.00 0.00 0.00 179.01 179.57 3juj h HIS 74 N 0.00 0.00 0.00 4.33 2.76 -0.82 -3.12 115.15 118.30 3juj h HIS 74 Ca -0.00 0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.61 3juj h HIS 74 Cb 0.77 0.00 0.06 0.00 1.55 0.00 0.00 27.41 29.78 3juj h HIS 74 CO 0.00 0.00 2.15 0.94 -1.30 0.00 0.00 177.93 179.72 3juj n GLN 75 N -2.73 1.31 0.00 5.26 7.27 -0.84 -0.99 117.38 126.65 3juj n GLN 75 Ca -0.01 -1.57 0.00 0.00 0.07 0.00 0.00 57.00 55.49 3juj n GLN 75 Cb 0.02 -2.72 0.00 0.00 2.41 0.00 0.00 30.24 29.95 3juj n GLN 75 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 3juj n ILE 76 N 5.75 0.00 -1.81 1.69 3.06 -1.22 -4.72 119.36 122.12 3juj n ILE 76 Ca 0.45 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 60.28 3juj n ILE 76 Cb 0.33 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.48 3juj n ILE 76 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 3juj s GLN 77 N 0.00 4.16 0.00 9.51 0.74 -0.16 -1.29 119.66 132.62 3juj s GLN 77 Ca 0.00 2.45 0.00 0.00 0.05 0.00 0.00 55.36 57.86 3juj s GLN 77 Cb 0.00 -4.00 0.00 0.00 1.10 0.00 0.00 33.01 30.11 3juj s GLN 77 CO 0.00 -0.89 0.00 0.41 -0.55 0.00 0.00 175.29 174.26 3juj n GLY 78 N 4.33 1.94 3.94 2.59 0.00 -1.26 -5.03 105.19 111.70 3juj n GLY 78 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3juj n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3juj s THR 79 N -2.08 5.07 0.35 2.61 2.01 -0.41 -4.98 115.64 118.21 3juj s THR 79 Ca 0.00 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.70 3juj s THR 79 Cb 0.00 -3.86 0.30 0.00 0.01 0.00 0.00 72.50 68.95 3juj s THR 79 CO 0.00 -0.60 1.93 -0.55 -0.69 0.00 0.00 174.62 174.71 3juj h ASN 80 N 0.68 0.70 0.29 3.53 -1.07 -1.99 -0.59 115.58 117.12 3juj h ASN 80 Ca -0.49 0.01 0.00 0.00 0.07 0.00 0.00 56.30 55.89 3juj h ASN 80 Cb 1.22 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 37.33 3juj h ASN 80 CO 0.61 0.43 0.00 0.29 0.07 0.00 0.00 177.43 178.83 3juj n LYS 81 N -4.50 0.03 0.00 4.14 4.76 -1.26 -3.56 118.16 117.78 3juj n LYS 81 Ca 0.13 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 3juj n LYS 81 Cb 0.28 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3juj n LYS 81 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3juj n GLU 82 N -1.64 0.07 -0.03 1.97 2.13 -0.23 -1.85 120.64 121.06 3juj n GLU 82 Ca 0.02 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.80 3juj n GLU 82 Cb 0.10 -1.03 -0.03 0.00 0.27 0.00 0.00 31.44 30.75 3juj n GLU 82 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3juj n ASN 83 N 0.45 3.67 -0.36 4.31 5.03 -1.23 -4.68 115.26 122.44 3juj n ASN 83 Ca 0.00 -0.02 0.28 0.00 0.87 0.00 0.00 54.58 55.71 3juj n ASN 83 Cb 0.02 0.14 0.56 0.00 -1.02 0.00 0.00 39.78 39.48 3juj n ASN 83 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3juj h ALA 84 N 0.07 2.41 -0.01 5.41 0.00 -1.66 0.38 119.26 125.87 3juj h ALA 84 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3juj h ALA 84 Cb 1.22 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3juj h ALA 84 CO -0.01 -0.90 -0.03 1.28 0.00 0.00 0.00 179.25 179.59 3juj n LEU 85 N -4.66 0.56 0.04 0.00 4.77 -1.26 -4.18 117.00 112.27 3juj n LEU 85 Ca 0.30 -0.13 0.03 0.00 -0.03 0.00 0.00 56.01 56.17 3juj n LEU 85 Cb 1.08 -0.06 0.39 0.00 -2.33 0.00 0.00 43.42 42.51 3juj n LEU 85 CO 0.23 0.10 1.04 0.50 -1.33 0.00 0.00 177.39 177.93 3juj h LYS 86 N 0.83 0.45 0.11 3.23 3.64 -0.50 0.61 116.57 124.94 3juj h LYS 86 Ca 0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3juj h LYS 86 Cb 0.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3juj h LYS 86 CO 0.00 0.40 -0.05 0.66 -2.27 0.00 0.00 179.45 178.19 3juj h SER 87 N 0.45 -0.12 0.38 4.20 4.64 -1.77 -2.61 113.55 118.72 3juj h SER 87 Ca 0.11 -0.45 -0.12 0.00 -0.47 0.00 0.00 61.79 60.86 3juj h SER 87 Cb 0.14 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3juj h SER 87 CO -0.01 0.46 -0.51 -0.29 -0.87 0.00 0.00 176.83 175.61 3juj h ILE 88 N -0.80 1.36 -0.84 0.95 6.09 -1.82 -1.60 117.51 120.85 3juj h ILE 88 Ca -0.02 -1.76 -0.01 0.00 -1.37 0.00 0.00 64.86 61.70 3juj h ILE 88 Cb 0.56 1.89 -0.04 0.00 0.47 0.00 0.00 36.82 39.70 3juj h ILE 88 CO 0.02 0.52 0.49 -0.09 -3.07 0.00 0.00 178.15 176.02 3juj h ARG 89 N 0.12 1.15 -0.20 2.19 9.65 -0.95 0.19 114.38 126.52 3juj h ARG 89 Ca 0.00 -0.11 -0.09 0.00 -1.10 0.00 0.00 59.98 58.68 3juj h ARG 89 Cb 0.94 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 29.29 3juj h ARG 89 CO 0.07 0.82 -0.23 -0.97 2.80 0.00 0.00 179.97 182.46 3juj h ASN 90 N 1.16 0.55 -0.67 -3.80 -0.73 -1.03 -2.42 115.58 108.64 3juj h ASN 90 Ca 0.30 -0.49 0.03 0.00 1.87 0.00 0.00 56.30 58.01 3juj h ASN 90 Cb -0.02 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 38.37 3juj h ASN 90 CO -0.05 0.93 0.41 0.40 -0.37 0.00 0.00 177.43 178.75 3juj h ILE 91 N 0.18 1.07 0.24 2.57 2.04 -0.92 -1.32 117.51 121.37 3juj h ILE 91 Ca 0.03 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3juj h ILE 91 Cb 0.79 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3juj h ILE 91 CO 0.06 0.14 -0.22 0.40 0.00 0.00 0.00 178.15 178.53 3juj h ILE 92 N 0.79 0.52 0.00 -0.67 2.04 -0.89 0.94 117.51 120.25 3juj h ILE 92 Ca 0.27 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.06 3juj h ILE 92 Cb 0.05 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3juj h ILE 92 CO -0.12 0.00 -0.36 1.05 0.00 0.00 0.00 178.15 178.72 3juj h GLU 93 N -0.49 0.00 0.01 2.37 4.11 -1.22 -3.28 114.58 116.08 3juj h GLU 93 Ca -0.01 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.11 3juj h GLU 93 Cb 0.45 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 3juj h GLU 93 CO -0.04 0.36 -1.91 1.63 0.07 0.00 0.00 179.01 179.12 3juj n LYS 94 N -3.79 0.65 -2.90 1.06 5.02 -0.52 -4.97 118.16 112.71 3juj n LYS 94 Ca -0.01 0.22 -0.21 0.00 -2.02 0.00 0.00 58.31 56.29 3juj n LYS 94 Cb 0.44 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 33.75 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 -0.30 2.40 0.07 0.00 0.40 -1.26 -0.15 117.98 119.14 3juj s PHE 97 Ca 0.03 -0.97 0.08 0.00 -0.60 0.00 0.00 56.93 55.48 3juj s PHE 97 Cb -0.10 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 3juj s PHE 97 CO 0.01 -0.39 -0.22 -1.54 0.70 0.00 0.00 175.22 173.77 3juj s SER 98 N 0.36 2.67 0.21 1.36 1.04 -0.89 -4.98 113.70 113.48 3juj s SER 98 Ca -0.18 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 55.69 3juj s SER 98 Cb -0.18 -0.20 -0.05 0.00 0.10 0.00 0.00 66.02 65.70 3juj s SER 98 CO 0.08 0.14 -0.06 -0.31 0.98 0.00 0.00 173.24 174.08 3juj s TYR 99 N -0.95 1.55 -0.30 5.02 1.51 -1.26 -0.96 117.35 121.96 3juj s TYR 99 Ca 0.08 -0.80 -0.13 0.00 -1.01 0.00 0.00 57.07 55.21 3juj s TYR 99 Cb -0.09 -0.84 0.13 0.00 -0.11 0.00 0.00 41.96 41.04 3juj s TYR 99 CO 0.03 0.09 0.76 0.54 -1.11 0.00 0.00 175.55 175.86 3juj s VAL 100 N -3.28 -0.61 0.46 0.71 0.11 -1.11 -4.98 120.40 111.70 3juj s VAL 100 Ca 0.24 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.09 3juj s VAL 100 Cb 0.04 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.79 3juj s VAL 100 CO 0.07 0.00 0.99 -0.13 -3.33 0.00 0.00 175.10 172.70 3juj s ARG 101 N 2.42 4.00 0.10 1.54 0.52 -1.26 -2.16 118.95 124.11 3juj s ARG 101 Ca -0.06 1.21 -0.09 0.00 -0.52 0.00 0.00 55.73 56.27 3juj s ARG 101 Cb -0.09 -2.14 -0.06 0.00 0.52 0.00 0.00 34.95 33.19 3juj s ARG 101 CO -0.18 -0.24 0.41 -0.65 0.02 0.00 0.00 175.30 174.65 3juj s GLN 102 N -3.30 3.74 0.08 3.54 -0.21 -0.65 -4.93 119.66 117.93 3juj s GLN 102 Ca 0.64 0.14 -0.36 0.00 0.02 0.00 0.00 55.36 55.80 3juj s GLN 102 Cb -0.12 -2.94 -0.18 0.00 1.00 0.00 0.00 33.01 30.77 3juj s GLN 102 CO 0.18 0.52 1.55 0.87 -2.12 0.00 0.00 175.29 176.29 3juj h LYS 103 N 3.46 -1.01 -3.35 2.91 6.56 -1.97 -3.46 116.57 119.72 3juj h LYS 103 Ca -0.48 0.07 -0.04 0.00 -1.06 0.00 0.00 60.65 59.13 3juj h LYS 103 Cb 1.19 0.23 -0.12 0.00 -0.57 0.00 0.00 32.23 32.95 3juj h LYS 103 CO 0.68 -0.67 -0.03 -0.65 -2.06 0.00 0.00 179.45 176.72 3juj s GLN 104 N -5.81 1.18 0.20 3.15 1.11 -1.26 -5.04 119.66 113.18 3juj s GLN 104 Ca -0.18 -0.75 -0.30 0.00 0.01 0.00 0.00 55.36 54.15 3juj s GLN 104 Cb 0.04 0.49 -0.08 0.00 -1.01 0.00 0.00 33.01 32.45 3juj s GLN 104 CO 0.59 -0.48 0.98 -1.64 0.01 0.00 0.00 175.29 174.76 3juj s MET 105 N -3.82 4.76 0.00 2.91 -1.94 -1.26 -4.93 119.30 115.01 3juj s MET 105 Ca 0.05 1.54 0.06 0.00 -1.71 0.00 0.00 55.69 55.64 3juj s MET 105 Cb 0.01 -3.29 0.11 0.00 2.01 0.00 0.00 34.83 33.66 3juj s MET 105 CO -0.09 0.35 0.93 1.63 -0.01 0.00 0.00 175.02 177.82 3juj n LYS 106 N 1.90 0.00 0.00 2.03 5.02 -1.26 -5.03 118.16 120.82 3juj n LYS 106 Ca -0.00 -1.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.27 3juj n LYS 106 Cb 0.47 0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.58 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 0.12 1.65 0.19 0.72 0.00 -1.26 -4.47 105.19 102.14 3juj n GLY 107 Ca -0.08 -1.98 -0.03 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.18 -0.01 0.99 5.85 -1.99 -1.24 115.31 118.73 3juj h LEU 108 Ca 0.00 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3juj h LEU 108 Cb 0.00 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3juj h LEU 108 CO 0.00 -0.06 -0.41 1.23 -0.34 0.00 0.00 178.44 178.87 3juj h GLY 109 N 0.12 -0.74 1.99 3.75 0.00 -1.85 -0.65 103.07 105.70 3juj h GLY 109 Ca 0.24 0.49 -0.06 0.00 0.00 0.00 0.00 47.33 48.00 3juj h GLY 109 CO -0.39 -0.24 -0.29 0.84 0.00 0.00 0.00 176.54 176.46 3juj h HIS 110 N -0.55 0.01 -0.21 5.60 -0.00 -1.53 -2.38 115.15 116.09 3juj h HIS 110 Ca 0.05 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.39 3juj h HIS 110 Cb 0.64 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 3juj h HIS 110 CO -0.42 0.30 0.01 0.00 -0.00 0.00 0.00 177.93 177.82 3juj h ALA 111 N 1.70 0.29 -0.42 5.26 0.00 -0.60 -2.26 119.26 123.22 3juj h ALA 111 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3juj h ALA 111 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3juj h ALA 111 CO 0.04 -0.00 0.24 0.82 0.00 0.00 0.00 179.25 180.34 3juj h ILE 112 N 0.14 1.15 -0.84 0.00 2.04 -0.95 -1.75 117.51 117.29 3juj h ILE 112 Ca 0.06 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.64 3juj h ILE 112 Cb 0.38 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 3juj h ILE 112 CO 0.01 0.16 0.48 0.25 0.00 0.00 0.00 178.15 179.05 3juj h LEU 113 N 0.55 0.68 -0.64 1.44 6.46 -1.38 -1.10 115.31 121.32 3juj h LEU 113 Ca 0.15 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.98 3juj h LEU 113 Cb 0.04 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 3juj h LEU 113 CO -0.03 0.38 0.41 0.74 -0.62 0.00 0.00 178.44 179.32 3juj h THR 114 N 0.79 1.10 0.00 1.05 2.02 -0.76 -1.31 112.91 115.80 3juj h THR 114 Ca 0.41 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.32 3juj h THR 114 Cb 0.40 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3juj h THR 114 CO -0.26 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.39 3juj n GLY 115 N -1.28 -0.72 0.46 2.16 0.00 -0.43 -2.50 105.19 102.87 3juj n GLY 115 Ca 0.06 0.11 0.28 0.00 0.00 0.00 0.00 46.02 46.47 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 0.22 0.00 1.61 4.81 -1.09 0.88 114.58 121.01 3juj h GLU 116 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3juj h GLU 116 Cb 0.02 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3juj h GLU 116 CO 0.00 0.15 0.00 0.00 -0.73 0.00 0.00 179.01 178.43 3juj n ALA 117 N -2.59 1.26 0.30 2.92 0.00 -1.04 -1.56 120.51 119.80 3juj n ALA 117 Ca 0.26 0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.81 3juj n ALA 117 Cb 1.04 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.89 1.14 0.02 0.00 4.77 0.31 -4.82 117.00 116.53 3juj n LEU 118 Ca 0.01 -0.82 -0.02 0.00 -0.03 0.00 0.00 56.01 55.15 3juj n LEU 118 Cb 0.09 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3juj n LEU 118 CO 0.09 0.24 -0.29 -0.38 -1.33 0.00 0.00 177.39 175.72 3juj n ILE 119 N -0.15 0.78 0.00 -0.08 -0.00 -0.80 -5.00 119.36 114.11 3juj n ILE 119 Ca 0.03 0.20 0.00 0.00 -0.00 0.00 0.00 62.75 62.98 3juj n ILE 119 Cb 0.15 -1.61 0.00 0.00 -0.00 0.00 0.00 39.64 38.19 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 3.10 1.77 2.56 7.39 0.00 -0.60 -4.41 105.19 115.00 3juj n GLY 120 Ca -0.03 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 3juj n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3juj n ASN 121 N 5.14 -1.91 -3.66 1.61 2.85 -1.26 -4.95 115.26 113.08 3juj n ASN 121 Ca 0.00 -2.95 -0.15 0.00 -0.11 0.00 0.00 54.58 51.37 3juj n ASN 121 Cb 0.00 0.88 -0.08 0.00 1.24 0.00 0.00 39.78 41.82 3juj n ASN 121 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3juj s GLU 122 N 0.16 0.81 0.61 1.20 -1.05 -1.26 -4.96 118.70 114.21 3juj s GLU 122 Ca 0.33 0.11 -0.19 0.00 -0.15 0.00 0.00 54.97 55.07 3juj s GLU 122 Cb 0.15 0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 34.18 3juj s GLU 122 CO -0.17 -0.22 1.26 -1.25 0.95 0.00 0.00 175.26 175.83 3juj s PRO 123 N -1.05 2.80 -0.02 -4.83 0.04 -1.26 -4.06 135.00 126.62 3juj s PRO 123 Ca -0.11 1.97 -0.05 0.00 0.04 0.00 0.00 61.00 62.85 3juj s PRO 123 Cb -0.03 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3juj s PRO 123 CO 0.06 -1.38 0.12 -0.59 0.04 0.00 0.00 177.00 175.24 3juj s PHE 124 N -1.47 -0.01 0.34 0.56 -0.12 0.72 -4.72 117.98 113.28 3juj s PHE 124 Ca 0.79 0.03 -0.19 0.00 -0.05 0.00 0.00 56.93 57.51 3juj s PHE 124 Cb -0.35 -0.02 -0.10 0.00 -0.63 0.00 0.00 43.02 41.92 3juj s PHE 124 CO 0.37 -0.18 0.83 0.00 -0.05 0.00 0.00 175.22 176.19 3juj s ALA 125 N -0.78 3.23 -0.04 1.99 0.00 -0.98 -0.45 121.76 124.73 3juj s ALA 125 Ca -0.09 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.13 3juj s ALA 125 Cb -0.05 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.13 3juj s ALA 125 CO 0.01 0.25 -0.10 0.08 0.00 0.00 0.00 175.76 176.00 3juj s VAL 126 N -1.93 0.87 -0.05 0.00 1.01 -1.06 0.13 120.40 119.37 3juj s VAL 126 Ca 0.54 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3juj s VAL 126 Cb -0.12 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.50 3juj s VAL 126 CO 0.17 0.28 -0.07 -0.63 0.00 0.00 0.00 175.10 174.85 3juj s ILE 127 N 0.37 0.71 -0.41 2.22 1.01 -0.72 -0.73 121.20 123.65 3juj s ILE 127 Ca -0.07 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 3juj s ILE 127 Cb -0.11 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.68 3juj s ILE 127 CO 0.01 0.26 0.30 -0.76 0.00 0.00 0.00 174.94 174.76 3juj s LEU 128 N 0.88 5.13 0.47 2.97 1.43 -0.91 -4.27 118.68 124.39 3juj s LEU 128 Ca -0.11 -0.92 0.24 0.00 -1.03 0.00 0.00 54.13 52.31 3juj s LEU 128 Cb -0.15 -2.16 1.28 0.00 0.03 0.00 0.00 46.19 45.19 3juj s LEU 128 CO 0.01 -0.46 1.86 0.00 0.23 0.00 0.00 176.35 177.99 3juj h ALA 129 N 8.63 2.52 -0.61 4.21 0.00 -1.88 -0.94 119.26 131.19 3juj h ALA 129 Ca -0.27 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.74 3juj h ALA 129 Cb 1.12 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 3juj h ALA 129 CO 0.74 -0.81 0.22 -0.44 0.00 0.00 0.00 179.25 178.96 3juj h ASP 130 N 0.21 0.19 -2.07 0.00 3.32 -1.92 -3.31 116.42 112.85 3juj h ASP 130 Ca 0.46 0.08 -0.52 0.00 0.02 0.00 0.00 57.03 57.08 3juj h ASP 130 Cb 1.47 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 41.03 3juj h ASP 130 CO -0.11 0.11 1.17 -1.81 -1.72 0.00 0.00 179.24 176.88 3juj s ASP 131 N -5.37 5.90 -0.51 6.45 1.01 -0.36 -1.53 116.67 122.27 3juj s ASP 131 Ca -0.13 -0.34 -0.23 0.00 0.71 0.00 0.00 52.55 52.56 3juj s ASP 131 Cb 0.17 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.59 3juj s ASP 131 CO 0.74 -2.00 0.85 -0.22 0.21 0.00 0.00 175.17 174.76 3juj s LEU 132 N 6.79 4.25 -0.01 1.23 2.96 -0.73 -4.83 118.68 128.34 3juj s LEU 132 Ca 0.46 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 3juj s LEU 132 Cb -0.08 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 3juj s LEU 132 CO 0.14 -1.08 0.10 0.00 -1.32 0.00 0.00 176.35 174.19 3juj s ILE 134 N -1.21 0.11 -0.12 0.00 -1.16 0.37 -4.97 121.20 114.22 3juj s ILE 134 Ca 0.23 -0.02 0.01 0.00 -0.51 0.00 0.00 60.65 60.37 3juj s ILE 134 Cb -0.12 -0.12 -0.01 0.00 0.61 0.00 0.00 42.46 42.81 3juj s ILE 134 CO 0.14 0.05 -0.16 -0.94 -2.81 0.00 0.00 174.94 171.23 3juj s SER 135 N 0.20 3.78 -1.06 4.50 1.04 -1.26 0.89 113.70 121.80 3juj s SER 135 Ca -0.02 -0.38 -0.19 0.00 0.48 0.00 0.00 55.95 55.85 3juj s SER 135 Cb -0.03 -1.50 0.10 0.00 0.10 0.00 0.00 66.02 64.69 3juj s SER 135 CO -0.01 0.18 1.36 -1.38 0.98 0.00 0.00 173.24 174.37 3juj s HIS 136 N 0.27 2.96 -1.02 5.02 -3.43 -1.26 -4.11 115.29 113.72 3juj s HIS 136 Ca -0.11 -1.39 -0.04 0.00 -0.80 0.00 0.00 55.06 52.72 3juj s HIS 136 Cb -0.16 -4.48 0.00 0.00 -1.43 0.00 0.00 32.58 26.51 3juj s HIS 136 CO 0.06 -1.65 0.88 -0.25 -2.00 0.00 0.00 174.74 171.78 3juj n ASP 137 N 7.36 -4.09 -4.04 7.38 8.00 -1.26 -5.02 116.55 124.88 3juj n ASP 137 Ca 0.32 -0.45 -0.08 0.00 0.71 0.00 0.00 54.79 55.30 3juj n ASP 137 Cb 0.48 -4.12 -0.10 0.00 -0.02 0.00 0.00 41.12 37.36 3juj n ASP 137 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3juj s HIS 138 N -3.27 0.42 0.71 1.24 3.76 -1.26 -5.15 115.29 111.75 3juj s HIS 138 Ca 0.28 -0.91 -0.11 0.00 -0.15 0.00 0.00 55.06 54.17 3juj s HIS 138 Cb -0.12 -0.31 0.02 0.00 1.11 0.00 0.00 32.58 33.28 3juj s HIS 138 CO 0.58 -0.38 1.07 -1.25 -0.85 0.00 0.00 174.74 173.90 3juj s PRO 139 N -3.58 2.79 0.87 8.40 0.04 -1.26 -4.75 135.00 137.51 3juj s PRO 139 Ca 0.04 0.94 -0.14 0.00 0.04 0.00 0.00 61.00 61.88 3juj s PRO 139 Cb 0.05 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.63 3juj s PRO 139 CO -0.09 -1.20 0.49 -1.13 0.04 0.00 0.00 177.00 175.11 3juj n SER 140 N -3.20 -1.63 -0.32 6.66 3.41 -1.26 -4.61 113.62 112.68 3juj n SER 140 Ca 0.08 0.42 0.10 0.00 -0.26 0.00 0.00 58.87 59.21 3juj n SER 140 Cb 0.54 -1.23 0.26 0.00 -0.26 0.00 0.00 64.21 63.52 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 -1.16 0.70 0.43 -3.33 2.07 -1.93 -0.35 116.25 112.68 3juj h VAL 141 Ca -0.44 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3juj h VAL 141 Cb 1.30 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3juj h VAL 141 CO 0.37 0.12 -0.21 -0.07 0.02 0.00 0.00 177.57 177.81 3juj h LEU 142 N 0.66 -0.49 -1.35 2.57 3.38 -1.93 0.33 115.31 118.48 3juj h LEU 142 Ca 0.51 -0.07 0.31 0.00 0.09 0.00 0.00 57.88 58.73 3juj h LEU 142 Cb 0.77 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 3juj h LEU 142 CO -0.38 -0.22 0.71 0.50 0.09 0.00 0.00 178.44 179.14 3juj h LYS 143 N -0.75 0.30 0.17 1.13 3.64 -1.64 1.21 116.57 120.63 3juj h LYS 143 Ca -0.06 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3juj h LYS 143 Cb 0.53 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3juj h LYS 143 CO 0.10 0.20 -0.08 1.96 -2.27 0.00 0.00 179.45 179.35 3juj h GLN 144 N 0.31 -0.22 0.00 1.90 4.20 -0.48 -3.07 115.11 117.75 3juj h GLN 144 Ca 0.66 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.38 3juj h GLN 144 Cb 1.80 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.63 3juj h GLN 144 CO -0.35 0.10 -0.05 0.52 -0.67 0.00 0.00 178.83 178.38 3juj h MET 145 N -0.55 0.00 -0.57 1.46 2.86 0.33 -2.34 114.93 116.12 3juj h MET 145 Ca -0.02 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 3juj h MET 145 Cb 0.42 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3juj h MET 145 CO 0.04 0.05 -0.04 1.79 1.06 0.00 0.00 176.91 179.81 3juj h THR 146 N 0.00 1.27 -0.43 2.22 1.35 0.35 -2.15 112.91 115.51 3juj h THR 146 Ca -0.00 -1.18 0.07 0.00 -0.55 0.00 0.00 66.41 64.75 3juj h THR 146 Cb 0.12 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.41 3juj h THR 146 CO 0.01 0.42 0.29 0.28 -0.25 0.00 0.00 175.52 176.27 3juj h SER 147 N 0.91 0.25 -0.10 5.36 0.02 -1.39 -0.75 113.55 117.85 3juj h SER 147 Ca 0.16 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.89 3juj h SER 147 Cb 0.59 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.10 3juj h SER 147 CO 0.04 0.16 -0.77 -0.07 -1.14 0.00 0.00 176.83 175.04 3juj h LEU 148 N 0.28 0.85 -1.57 5.07 3.38 -1.47 -3.01 115.31 118.85 3juj h LEU 148 Ca 0.19 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 3juj h LEU 148 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3juj h LEU 148 CO -0.04 1.39 -0.02 0.22 0.09 0.00 0.00 178.44 180.08 3juj h TYR 149 N 0.38 0.25 -0.08 1.13 3.20 -0.55 -0.01 116.97 121.29 3juj h TYR 149 Ca -0.07 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 3juj h TYR 149 Cb 1.42 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.61 3juj h TYR 149 CO 0.10 0.28 0.05 1.96 -1.64 0.00 0.00 178.16 178.91 3juj h GLN 150 N 0.25 0.11 -0.49 1.82 4.20 -1.21 0.56 115.11 120.36 3juj h GLN 150 Ca 0.06 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 3juj h GLN 150 Cb 0.20 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3juj h GLN 150 CO 0.01 0.11 -0.01 0.87 -0.67 0.00 0.00 178.83 179.13 3juj h LYS 151 N 0.09 0.87 -0.00 1.46 1.57 -1.20 -3.37 116.57 116.00 3juj h LYS 151 Ca 0.03 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3juj h LYS 151 Cb 0.02 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3juj h LYS 151 CO -0.01 0.92 -0.02 0.66 -0.57 0.00 0.00 179.45 180.43 3juj n TYR 152 N -4.32 0.00 -3.56 -1.35 4.01 -0.10 -5.04 117.16 106.80 3juj n TYR 152 Ca 0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 3juj n TYR 152 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.34 3juj n TYR 152 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3juj n GLN 153 N -0.44 -0.84 -4.25 -0.72 0.00 0.20 -4.92 117.38 106.40 3juj n GLN 153 Ca 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 57.00 56.68 3juj n GLN 153 Cb 0.02 -0.78 -0.09 0.00 0.00 0.00 0.00 30.24 29.39 3juj n GLN 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3juj n SER 155 N -1.16 3.91 -4.11 0.00 7.64 -1.23 -4.80 113.62 113.87 3juj n SER 155 Ca 0.06 1.17 -0.30 0.00 1.01 0.00 0.00 58.87 60.80 3juj n SER 155 Cb 0.63 -1.61 -0.17 0.00 -1.01 0.00 0.00 64.21 62.06 3juj n SER 155 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3juj s ILE 156 N -0.26 1.74 -0.02 0.44 -1.09 -0.18 -0.32 121.20 121.50 3juj s ILE 156 Ca 0.61 -0.80 0.04 0.00 -2.23 0.00 0.00 60.65 58.28 3juj s ILE 156 Cb -0.48 -1.56 -0.01 0.00 -1.58 0.00 0.00 42.46 38.83 3juj s ILE 156 CO 0.52 0.49 -0.15 0.68 -1.23 0.00 0.00 174.94 175.25 3juj s VAL 157 N 0.83 1.23 0.25 2.92 -7.23 -0.30 -0.91 120.40 117.18 3juj s VAL 157 Ca -0.09 -0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 59.14 3juj s VAL 157 Cb -0.16 -1.04 -0.09 0.00 0.56 0.00 0.00 36.38 35.65 3juj s VAL 157 CO -0.00 0.35 1.00 0.00 -0.31 0.00 0.00 175.10 176.14 3juj s ALA 158 N -0.16 3.36 0.25 1.32 0.00 -0.68 -0.50 121.76 125.36 3juj s ALA 158 Ca 0.02 0.72 0.11 0.00 0.00 0.00 0.00 51.96 52.81 3juj s ALA 158 Cb -0.08 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 3juj s ALA 158 CO 0.00 0.07 -0.20 0.96 0.00 0.00 0.00 175.76 176.59 3juj s ILE 159 N -1.14 2.38 -0.01 0.00 -4.36 0.10 -1.15 121.20 117.02 3juj s ILE 159 Ca 0.42 -2.30 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 3juj s ILE 159 Cb -0.28 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.21 3juj s ILE 159 CO 0.35 -0.36 0.01 -0.70 0.24 0.00 0.00 174.94 174.49 3juj s GLU 160 N -3.33 -0.01 -0.38 0.37 2.12 0.58 -3.90 118.70 114.16 3juj s GLU 160 Ca 0.27 0.08 -0.29 0.00 0.36 0.00 0.00 54.97 55.39 3juj s GLU 160 Cb -0.05 -0.12 0.01 0.00 0.26 0.00 0.00 34.13 34.23 3juj s GLU 160 CO 0.13 -0.07 1.27 -2.00 -0.54 0.00 0.00 175.26 174.05 3juj s GLU 161 N 0.48 3.78 0.55 4.30 2.12 -1.26 0.97 118.70 129.64 3juj s GLU 161 Ca -0.04 0.97 0.06 0.00 0.36 0.00 0.00 54.97 56.33 3juj s GLU 161 Cb -0.06 -3.91 0.05 0.00 0.26 0.00 0.00 34.13 30.46 3juj s GLU 161 CO -0.01 -1.29 0.48 0.14 -0.54 0.00 0.00 175.26 174.04 3juj s VAL 162 N 4.64 1.78 0.23 3.70 -7.23 0.59 -4.97 120.40 119.14 3juj s VAL 162 Ca 0.55 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 3juj s VAL 162 Cb -0.13 -2.16 -0.09 0.00 0.56 0.00 0.00 36.38 34.56 3juj s VAL 162 CO 0.27 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.14 3juj s ALA 163 N -2.74 3.38 0.50 1.32 0.00 -1.26 -4.88 121.76 118.08 3juj s ALA 163 Ca 0.40 0.83 0.33 0.00 0.00 0.00 0.00 51.96 53.51 3juj s ALA 163 Cb -0.03 -3.32 1.45 0.00 0.00 0.00 0.00 23.12 21.22 3juj s ALA 163 CO 0.25 -0.13 1.76 1.25 0.00 0.00 0.00 175.76 178.89 3juj h LEU 164 N 4.41 0.13 0.10 0.00 7.12 -1.97 -1.78 115.31 123.32 3juj h LEU 164 Ca -0.45 0.03 0.01 0.00 0.13 0.00 0.00 57.88 57.59 3juj h LEU 164 Cb 1.21 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.33 3juj h LEU 164 CO 0.69 0.00 -0.32 -0.08 -0.13 0.00 0.00 178.44 178.60 3juj h GLU 165 N 0.10 -0.47 0.00 1.25 4.22 -2.00 -2.56 114.58 115.14 3juj h GLU 165 Ca 0.62 0.03 0.00 0.00 0.08 0.00 0.00 59.36 60.09 3juj h GLU 165 Cb 2.22 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.57 3juj h GLU 165 CO -0.11 -0.31 0.00 -0.85 -2.18 0.00 0.00 179.01 175.56 3juj n GLU 166 N -4.30 0.55 0.24 1.92 0.28 -0.68 -3.54 120.64 115.11 3juj n GLU 166 Ca -0.05 0.00 0.18 0.00 -0.16 0.00 0.00 57.16 57.12 3juj n GLU 166 Cb 0.26 -1.31 0.89 0.00 1.43 0.00 0.00 31.44 32.70 3juj n GLU 166 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 3juj h VAL 167 N 0.00 0.33 -0.00 3.84 3.04 -1.38 0.24 116.25 122.32 3juj h VAL 167 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3juj h VAL 167 Cb 0.00 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 3juj h VAL 167 CO 0.00 0.00 -0.00 -1.54 -1.01 0.00 0.00 177.57 175.02 3juj n SER 168 N -3.55 0.01 -0.24 3.17 3.41 -1.02 -3.11 113.62 112.28 3juj n SER 168 Ca 0.00 0.29 0.11 0.00 -0.26 0.00 0.00 58.87 59.01 3juj n SER 168 Cb 0.30 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 3juj n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3juj n LYS 169 N -1.43 0.59 -4.51 4.33 5.02 0.83 -4.63 118.16 118.37 3juj n LYS 169 Ca 0.09 -0.48 -0.25 0.00 -2.02 0.00 0.00 58.31 55.65 3juj n LYS 169 Cb 0.31 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.75 3juj n LYS 169 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3juj s TYR 170 N -2.74 1.79 -0.23 2.13 1.51 -1.18 -4.93 117.35 113.70 3juj s TYR 170 Ca 0.14 -1.28 -0.10 0.00 -1.01 0.00 0.00 57.07 54.82 3juj s TYR 170 Cb 0.17 -1.15 -0.05 0.00 -0.11 0.00 0.00 41.96 40.82 3juj s TYR 170 CO 0.71 -0.30 0.14 0.20 -1.11 0.00 0.00 175.55 175.19 3juj s GLY 171 N -3.60 1.97 0.11 0.71 0.00 -1.26 0.22 107.32 105.47 3juj s GLY 171 Ca 0.25 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 44.15 3juj s GLY 171 CO 0.15 0.32 0.06 0.14 0.00 0.00 0.00 173.10 173.77 3juj s VAL 172 N 0.91 4.30 0.00 1.40 1.01 0.17 -2.30 120.40 125.89 3juj s VAL 172 Ca 0.07 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3juj s VAL 172 Cb -0.13 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3juj s VAL 172 CO 0.03 0.05 0.00 2.30 0.00 0.00 0.00 175.10 177.48 3juj n ILE 173 N 0.27 0.00 -3.17 2.22 -5.35 -1.08 -0.51 119.36 111.73 3juj n ILE 173 Ca -0.09 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.44 3juj n ILE 173 Cb 0.53 -0.95 -0.02 0.00 -1.74 0.00 0.00 39.64 37.45 3juj n ILE 173 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3juj s ARG 174 N -0.31 0.18 -0.07 6.28 3.52 -0.64 -3.99 118.95 123.92 3juj s ARG 174 Ca 0.00 0.34 -0.26 0.00 -0.13 0.00 0.00 55.73 55.68 3juj s ARG 174 Cb 0.00 0.19 0.06 0.00 -1.56 0.00 0.00 34.95 33.64 3juj s ARG 174 CO 0.00 -0.17 0.59 0.20 -0.81 0.00 0.00 175.30 175.10 3juj s GLY 175 N 2.86 -0.46 0.67 8.12 0.00 -1.26 0.56 107.32 117.80 3juj s GLY 175 Ca -0.02 1.16 -0.17 0.00 0.00 0.00 0.00 44.72 45.70 3juj s GLY 175 CO -0.12 0.85 1.23 -1.83 0.00 0.00 0.00 173.10 173.24 3juj s GLU 176 N -0.98 2.47 0.36 2.90 -1.05 -1.08 -4.62 118.70 116.70 3juj s GLU 176 Ca -0.10 1.86 -0.25 0.00 -0.15 0.00 0.00 54.97 56.33 3juj s GLU 176 Cb -0.02 -1.86 -0.09 0.00 -0.44 0.00 0.00 34.13 31.72 3juj s GLU 176 CO 0.07 -1.61 1.02 -0.46 0.95 0.00 0.00 175.26 175.23 3juj s TRP 177 N -1.72 3.43 0.00 4.83 -0.00 -1.26 -1.47 118.94 122.74 3juj s TRP 177 Ca 0.77 1.69 0.00 0.00 -0.00 0.00 0.00 56.10 58.57 3juj s TRP 177 Cb -0.32 -3.07 0.00 0.00 -0.00 0.00 0.00 33.47 30.08 3juj s TRP 177 CO 0.41 -0.34 0.00 1.28 -0.00 0.00 0.00 176.95 178.30 3juj n LEU 178 N 0.23 2.28 -3.92 5.86 4.32 -0.18 -4.86 117.00 120.74 3juj n LEU 178 Ca 0.03 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.93 3juj n LEU 178 Cb 0.49 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.27 3juj n LEU 178 CO 0.45 0.38 0.36 -1.61 -1.22 0.00 0.00 177.39 175.75 3juj s GLU 179 N -1.76 1.85 -0.02 3.23 2.02 -1.19 -5.01 118.70 117.82 3juj s GLU 179 Ca 0.00 -1.28 -0.30 0.00 0.02 0.00 0.00 54.97 53.42 3juj s GLU 179 Cb 0.00 0.55 -0.07 0.00 0.10 0.00 0.00 34.13 34.71 3juj s GLU 179 CO 0.00 -0.82 1.82 -2.00 0.02 0.00 0.00 175.26 174.28 3juj s GLU 180 N -3.44 4.13 -0.06 1.61 2.12 -1.26 -1.51 118.70 120.28 3juj s GLU 180 Ca 0.18 2.37 0.00 0.00 0.36 0.00 0.00 54.97 57.88 3juj s GLU 180 Cb -0.03 -4.08 0.00 0.00 0.26 0.00 0.00 34.13 30.27 3juj s GLU 180 CO 0.10 -0.94 0.00 0.41 -0.54 0.00 0.00 175.26 174.29 3juj n GLY 181 N 4.38 0.48 3.03 -1.50 0.00 -1.26 -4.97 105.19 105.35 3juj n GLY 181 Ca 0.19 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.97 1.40 0.01 1.61 1.01 -0.57 -0.89 120.40 121.00 3juj s VAL 182 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3juj s VAL 182 Cb 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3juj s VAL 182 CO 0.00 0.42 -0.11 -0.31 0.00 0.00 0.00 175.10 175.10 3juj s TYR 183 N 1.07 1.00 -0.31 5.22 1.51 -0.76 -1.01 117.35 124.07 3juj s TYR 183 Ca -0.05 -0.27 -0.23 0.00 -1.01 0.00 0.00 57.07 55.51 3juj s TYR 183 Cb -0.15 -0.62 0.00 0.00 -0.11 0.00 0.00 41.96 41.08 3juj s TYR 183 CO -0.02 -0.00 0.79 -2.00 -1.11 0.00 0.00 175.55 173.20 3juj s GLU 184 N -0.68 3.95 -0.06 -0.62 2.12 -0.55 0.64 118.70 123.51 3juj s GLU 184 Ca 0.02 0.57 -0.29 0.00 0.36 0.00 0.00 54.97 55.62 3juj s GLU 184 Cb -0.06 -3.73 -0.07 0.00 0.26 0.00 0.00 34.13 30.53 3juj s GLU 184 CO 0.00 -0.69 1.88 0.42 -0.54 0.00 0.00 175.26 176.33 3juj s ILE 185 N 2.97 3.26 -0.10 -3.70 1.01 -0.62 -2.64 121.20 121.37 3juj s ILE 185 Ca 0.32 0.30 0.02 0.00 0.00 0.00 0.00 60.65 61.29 3juj s ILE 185 Cb -0.14 -3.23 -0.25 0.00 0.01 0.00 0.00 42.46 38.86 3juj s ILE 185 CO 0.13 -0.06 0.44 0.29 0.00 0.00 0.00 174.94 175.74 3juj n LYS 186 N 7.64 0.70 -3.55 2.79 4.76 0.19 -4.76 118.16 125.93 3juj n LYS 186 Ca 0.21 0.26 -0.09 0.00 -2.87 0.00 0.00 58.31 55.82 3juj n LYS 186 Cb 0.43 -1.72 -0.02 0.00 -1.84 0.00 0.00 35.03 31.87 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 -6.60 -0.41 -0.03 4.39 3.68 -0.38 -4.90 116.67 112.42 3juj s ASP 187 Ca -0.16 -0.14 -0.01 0.00 2.13 0.00 0.00 52.55 54.38 3juj s ASP 187 Cb 0.07 0.53 0.03 0.00 -1.45 0.00 0.00 42.92 42.10 3juj s ASP 187 CO 0.78 -0.89 0.04 -0.04 0.13 0.00 0.00 175.17 175.19 3juj s MET 188 N -3.49 0.04 -0.11 4.34 -1.94 -1.26 -1.62 119.30 115.25 3juj s MET 188 Ca 0.05 0.26 -0.02 0.00 -1.71 0.00 0.00 55.69 54.27 3juj s MET 188 Cb -0.02 -0.46 -0.03 0.00 2.01 0.00 0.00 34.83 36.33 3juj s MET 188 CO -0.07 -0.25 -0.04 0.54 -0.01 0.00 0.00 175.02 175.19 3juj s VAL 189 N 1.65 3.90 -0.25 -6.03 0.11 0.33 -4.95 120.40 115.16 3juj s VAL 189 Ca -0.01 -0.38 -0.27 0.00 -2.93 0.00 0.00 61.98 58.39 3juj s VAL 189 Cb -0.13 -2.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.07 3juj s VAL 189 CO -0.03 0.55 0.93 -0.70 -3.33 0.00 0.00 175.10 172.53 3juj s GLU 190 N -0.28 4.18 -1.24 1.54 2.56 -1.26 -0.65 118.70 123.55 3juj s GLU 190 Ca 0.05 1.09 -0.15 0.00 0.00 0.00 0.00 54.97 55.96 3juj s GLU 190 Cb -0.13 -3.66 0.02 0.00 2.00 0.00 0.00 34.13 32.37 3juj s GLU 190 CO 0.02 -0.61 0.29 1.63 -0.56 0.00 0.00 175.26 176.03 3juj n LYS 191 N 6.24 -0.62 -1.62 4.30 5.02 0.13 -4.94 118.16 126.66 3juj n LYS 191 Ca 0.09 0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 56.12 3juj n LYS 191 Cb 0.47 -2.64 0.18 0.00 -0.02 0.00 0.00 35.03 33.01 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 -7.07 0.46 0.15 1.97 0.04 -1.24 -4.63 135.00 124.68 3juj s PRO 192 Ca 0.21 -0.09 0.04 0.00 0.04 0.00 0.00 61.00 61.21 3juj s PRO 192 Cb -0.12 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 3juj s PRO 192 CO 0.88 -2.59 0.17 0.54 0.04 0.00 0.00 177.00 176.05 3juj s ASN 193 N -4.39 5.75 0.22 6.66 6.03 -1.26 -2.45 114.94 125.51 3juj s ASN 193 Ca 0.69 -0.04 -0.09 0.00 -1.03 0.00 0.00 52.86 52.40 3juj s ASN 193 Cb -0.09 -1.58 0.33 0.00 -3.03 0.00 0.00 41.25 36.89 3juj s ASN 193 CO 0.53 0.07 1.32 0.00 -2.03 0.00 0.00 177.10 177.00 3juj n GLN 194 N -0.34 -0.11 -0.01 3.55 6.02 -1.26 -1.28 117.38 123.95 3juj n GLN 194 Ca -0.08 1.32 0.13 0.00 -0.01 0.00 0.00 57.00 58.36 3juj n GLN 194 Cb 0.54 -1.96 0.57 0.00 1.02 0.00 0.00 30.24 30.41 3juj n GLN 194 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 3juj h GLU 195 N 0.00 0.23 -0.86 -1.09 9.09 -1.95 -3.26 114.58 116.74 3juj h GLU 195 Ca 0.37 -0.01 -0.37 0.00 0.05 0.00 0.00 59.36 59.40 3juj h GLU 195 Cb 0.59 -0.05 -0.41 0.00 -1.65 0.00 0.00 28.75 27.23 3juj h GLU 195 CO -0.86 0.15 -1.08 -0.40 0.05 0.00 0.00 179.01 176.87 3juj n ASP 196 N -4.45 2.19 -4.72 3.06 3.85 -0.40 -5.05 116.55 111.02 3juj n ASP 196 Ca 0.08 -2.70 -0.36 0.00 -0.71 0.00 0.00 54.79 51.10 3juj n ASP 196 Cb 0.39 -0.49 -0.08 0.00 -1.35 0.00 0.00 41.12 39.59 3juj n ASP 196 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3juj s ALA 197 N -3.44 3.65 0.41 2.12 0.00 -1.06 -4.74 121.76 118.70 3juj s ALA 197 Ca 0.32 -0.65 0.33 0.00 0.00 0.00 0.00 51.96 51.96 3juj s ALA 197 Cb 0.40 -2.26 1.80 0.00 0.00 0.00 0.00 23.12 23.06 3juj s ALA 197 CO -0.01 0.08 2.01 -1.00 0.00 0.00 0.00 175.76 176.83 3juj h PRO 198 N 6.81 0.00 0.00 0.00 0.13 -1.93 -3.46 132.00 133.55 3juj h PRO 198 Ca -0.40 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.75 3juj h PRO 198 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3juj h PRO 198 CO 0.74 0.00 0.06 -1.13 -0.23 0.00 0.00 178.00 177.44 3juj n SER 199 N -2.75 -0.08 -0.16 1.44 3.41 -1.26 -4.85 113.62 109.38 3juj n SER 199 Ca -0.02 -1.02 0.03 0.00 -0.26 0.00 0.00 58.87 57.60 3juj n SER 199 Cb 0.16 0.13 0.06 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.26 2.31 -4.55 4.04 6.94 -1.26 -4.90 115.26 117.58 3juj n ASN 200 Ca 0.00 -2.25 -0.42 0.00 -0.02 0.00 0.00 54.58 51.89 3juj n ASN 200 Cb 0.04 -0.14 -0.07 0.00 -2.36 0.00 0.00 39.78 37.25 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 -1.43 4.36 0.16 -4.53 2.01 -1.26 -0.30 118.68 117.69 3juj s LEU 201 Ca 0.12 -0.07 0.04 0.00 0.01 0.00 0.00 54.13 54.23 3juj s LEU 201 Cb 0.09 -2.75 -0.04 0.00 0.01 0.00 0.00 46.19 43.50 3juj s LEU 201 CO 0.04 -0.67 0.22 0.00 1.01 0.00 0.00 176.35 176.95 3juj s ALA 202 N 2.75 3.80 0.06 4.21 0.00 0.27 -2.63 121.76 130.21 3juj s ALA 202 Ca 0.23 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.83 3juj s ALA 202 Cb -0.14 -1.60 -0.06 0.00 0.00 0.00 0.00 23.12 21.32 3juj s ALA 202 CO 0.17 0.51 0.76 0.08 0.00 0.00 0.00 175.76 177.27 3juj s VAL 203 N -1.76 4.70 0.39 0.00 1.01 -0.97 0.22 120.40 123.98 3juj s VAL 203 Ca 0.33 1.62 0.08 0.00 0.00 0.00 0.00 61.98 64.00 3juj s VAL 203 Cb -0.11 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 3juj s VAL 203 CO 0.26 0.39 0.37 -0.63 0.00 0.00 0.00 175.10 175.49 3juj s ILE 204 N -0.19 3.03 -1.16 2.22 -1.09 -0.30 -4.78 121.20 118.92 3juj s ILE 204 Ca 0.38 -1.31 -0.15 0.00 -2.23 0.00 0.00 60.65 57.34 3juj s ILE 204 Cb -0.21 -3.07 -0.06 0.00 -1.58 0.00 0.00 42.46 37.54 3juj s ILE 204 CO 0.23 -0.06 2.19 0.61 -1.23 0.00 0.00 174.94 176.68 3juj n GLY 205 N -1.52 3.57 3.11 6.18 0.00 -1.26 -4.65 105.19 110.61 3juj n GLY 205 Ca 0.02 -1.37 0.02 0.00 0.00 0.00 0.00 46.02 44.68 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 3.76 0.53 0.42 1.61 1.81 -1.26 -2.15 118.95 123.67 3juj s ARG 206 Ca 0.53 0.85 0.03 0.00 -1.72 0.00 0.00 55.73 55.42 3juj s ARG 206 Cb 0.14 0.33 -0.01 0.00 -0.45 0.00 0.00 34.95 34.96 3juj s ARG 206 CO -0.00 -0.69 0.12 0.66 -0.68 0.00 0.00 175.30 174.70 3juj n TYR 207 N 5.42 0.34 -3.14 -0.53 4.02 0.09 -1.68 117.16 121.67 3juj n TYR 207 Ca -0.01 -2.56 0.03 0.00 -0.01 0.00 0.00 57.90 55.35 3juj n TYR 207 Cb 0.51 -0.07 -0.00 0.00 -0.02 0.00 0.00 39.34 39.76 3juj n TYR 207 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3juj s ILE 208 N -3.01 -0.86 -0.05 -0.72 1.01 -0.09 -2.55 121.20 114.93 3juj s ILE 208 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 3juj s ILE 208 Cb 0.01 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 3juj s ILE 208 CO 0.12 0.00 0.14 -0.76 0.00 0.00 0.00 174.94 174.44 3juj s LEU 209 N 2.46 4.26 0.11 2.97 1.43 0.40 -1.01 118.68 129.30 3juj s LEU 209 Ca 0.14 0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 53.37 3juj s LEU 209 Cb -0.06 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 3juj s LEU 209 CO -0.19 0.31 0.65 0.42 0.23 0.00 0.00 176.35 177.78 3juj s THR 210 N -1.19 4.60 0.53 5.49 -4.23 -1.26 -0.20 115.64 119.38 3juj s THR 210 Ca 0.22 1.40 0.45 0.00 -1.18 0.00 0.00 61.69 62.58 3juj s THR 210 Cb -0.12 -3.99 0.67 0.00 1.34 0.00 0.00 72.50 70.40 3juj s THR 210 CO 0.13 0.54 1.62 -0.65 -0.54 0.00 0.00 174.62 175.71 3juj h PRO 211 N 4.44 0.01 -0.03 3.99 0.11 -1.93 -0.93 132.00 137.67 3juj h PRO 211 Ca -0.49 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.63 3juj h PRO 211 Cb 1.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3juj h PRO 211 CO 0.64 0.01 0.10 0.38 -0.21 0.00 0.00 178.00 178.93 3juj h ASP 212 N 0.01 0.00 -0.83 -2.05 2.03 -1.94 -1.99 116.42 111.66 3juj h ASP 212 Ca 0.86 0.00 0.11 0.00 -0.73 0.00 0.00 57.03 57.27 3juj h ASP 212 Cb 3.33 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 41.75 3juj h ASP 212 CO -0.09 0.00 0.45 -0.29 -1.03 0.00 0.00 179.24 178.28 3juj h ILE 213 N 0.00 0.84 -0.44 4.15 6.09 -1.55 -2.30 117.51 124.30 3juj h ILE 213 Ca 0.01 -0.25 0.09 0.00 -1.37 0.00 0.00 64.86 63.35 3juj h ILE 213 Cb 0.22 0.06 -0.09 0.00 0.47 0.00 0.00 36.82 37.48 3juj h ILE 213 CO -0.00 0.13 -0.20 -0.26 -3.07 0.00 0.00 178.15 174.76 3juj h PHE 214 N 0.72 -0.49 -0.59 2.19 -1.00 -1.61 0.18 116.94 116.35 3juj h PHE 214 Ca 0.42 0.05 0.05 0.00 2.81 0.00 0.00 57.97 61.30 3juj h PHE 214 Cb 0.47 0.28 -0.05 0.00 3.61 0.00 0.00 35.95 40.26 3juj h PHE 214 CO -0.07 -0.28 0.31 1.49 -1.61 0.00 0.00 178.31 178.15 3juj h GLU 215 N -0.11 0.57 -0.84 1.51 4.57 -1.60 -1.11 114.58 117.57 3juj h GLU 215 Ca 0.21 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.36 3juj h GLU 215 Cb 0.43 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 3juj h GLU 215 CO -0.51 0.38 0.55 0.82 -1.18 0.00 0.00 179.01 179.06 3juj h ILE 216 N 0.59 1.22 -0.38 2.32 2.04 -0.85 0.18 117.51 122.62 3juj h ILE 216 Ca 0.26 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3juj h ILE 216 Cb 0.17 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 3juj h ILE 216 CO -0.18 0.22 0.21 -0.07 0.00 0.00 0.00 178.15 178.33 3juj h LEU 217 N 1.14 0.47 -0.06 1.44 -0.00 -0.00 0.11 115.31 118.41 3juj h LEU 217 Ca 0.31 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 58.10 3juj h LEU 217 Cb -0.11 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.43 3juj h LEU 217 CO -0.06 0.41 0.03 -1.28 -0.00 0.00 0.00 178.44 177.54 3juj h SER 218 N 0.49 0.08 -0.60 -0.43 0.87 -0.73 -2.50 113.55 110.72 3juj h SER 218 Ca 0.13 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3juj h SER 218 Cb 0.05 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 3juj h SER 218 CO -0.02 0.19 0.40 -0.08 -0.53 0.00 0.00 176.83 176.79 3juj h GLU 219 N -0.04 0.56 -6.61 2.24 4.81 -0.47 -3.44 114.58 111.63 3juj h GLU 219 Ca 0.02 -0.03 -0.59 0.00 -0.13 0.00 0.00 59.36 58.63 3juj h GLU 219 Cb 0.13 -0.13 0.13 0.00 0.63 0.00 0.00 28.75 29.51 3juj h GLU 219 CO -0.00 0.37 0.18 2.41 -0.73 0.00 0.00 179.01 181.24 3juj n THR 220 N -4.48 2.29 -4.52 0.32 -1.04 0.37 -5.02 114.28 102.20 3juj n THR 220 Ca 0.09 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.25 3juj n THR 220 Cb 0.25 -1.16 -0.11 0.00 -1.82 0.00 0.00 70.33 67.49 3juj n THR 220 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3juj s LYS 221 N -1.90 2.90 0.26 -2.82 2.20 -1.26 -4.97 119.74 114.16 3juj s LYS 221 Ca 0.61 -0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 55.43 3juj s LYS 221 Cb -0.59 -2.69 -0.14 0.00 -1.51 0.00 0.00 37.83 32.91 3juj s LYS 221 CO 0.58 0.64 1.09 -2.30 -0.36 0.00 0.00 175.35 175.01 3juj n PRO 222 N 2.30 1.42 0.00 4.03 -0.02 -1.26 -4.78 135.00 136.69 3juj n PRO 222 Ca -0.18 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3juj n PRO 222 Cb 0.53 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 3juj n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juj n GLY 223 N 1.45 0.05 0.87 -1.23 0.00 -0.76 -4.85 105.19 100.72 3juj n GLY 223 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 3juj n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3juj n LYS 224 N -2.33 1.37 -3.83 1.61 4.76 -1.26 -4.85 118.16 113.63 3juj n LYS 224 Ca 0.00 -0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 3juj n LYS 224 Cb 0.00 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 3juj n LYS 224 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3juj n ASN 225 N 0.16 0.00 -0.08 4.39 3.02 -1.26 -4.90 115.26 116.60 3juj n ASN 225 Ca 0.05 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.66 3juj n ASN 225 Cb 0.48 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.97 3juj n ASN 225 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3juj n ASN 226 N 1.45 0.23 -4.94 6.41 0.23 -1.26 -4.72 115.26 112.65 3juj n ASN 226 Ca 0.00 -1.68 -0.22 0.00 -0.53 0.00 0.00 54.58 52.15 3juj n ASN 226 Cb 0.00 -0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 37.65 3juj n ASN 226 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 3juj s GLU 227 N -1.96 3.35 -0.07 -3.83 -1.05 -1.26 -4.65 118.70 109.24 3juj s GLU 227 Ca 0.18 -0.79 -0.02 0.00 -0.15 0.00 0.00 54.97 54.19 3juj s GLU 227 Cb 0.08 -2.85 -0.04 0.00 -0.44 0.00 0.00 34.13 30.89 3juj s GLU 227 CO 0.14 0.44 0.03 0.96 0.95 0.00 0.00 175.26 177.78 3juj s ILE 228 N -1.97 4.52 0.00 1.83 -4.36 -1.26 -1.83 121.20 118.13 3juj s ILE 228 Ca 0.34 -0.26 0.02 0.00 -0.26 0.00 0.00 60.65 60.49 3juj s ILE 228 Cb -0.09 -2.95 -0.01 0.00 1.25 0.00 0.00 42.46 40.66 3juj s ILE 228 CO 0.28 0.54 -0.06 -1.10 0.24 0.00 0.00 174.94 174.84 3juj s GLN 229 N -1.13 0.44 0.30 0.37 -1.52 -1.26 -3.47 119.66 113.40 3juj s GLN 229 Ca 0.16 -0.29 0.17 0.00 -1.95 0.00 0.00 55.36 53.45 3juj s GLN 229 Cb -0.12 -0.39 1.10 0.00 -0.22 0.00 0.00 33.01 33.39 3juj s GLN 229 CO 0.05 0.10 1.28 0.44 -0.25 0.00 0.00 175.29 176.91 3juj n ILE 230 N 2.68 -0.33 -0.11 1.08 -6.64 -1.26 -1.35 119.36 113.42 3juj n ILE 230 Ca -0.15 1.63 -0.05 0.00 -1.77 0.00 0.00 62.75 62.42 3juj n ILE 230 Cb 0.58 -2.66 0.02 0.00 -1.44 0.00 0.00 39.64 36.14 3juj n ILE 230 CO 0.00 0.00 0.00 0.74 -1.77 0.00 0.00 176.55 175.52 3juj h THR 231 N 0.00 0.75 -0.66 7.28 2.02 -1.98 0.96 112.91 121.28 3juj h THR 231 Ca 0.69 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.77 3juj h THR 231 Cb 1.85 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 3juj h THR 231 CO -0.61 0.03 0.21 0.44 0.37 0.00 0.00 175.52 175.96 3juj h ASP 232 N 0.14 0.93 0.16 4.18 3.32 -1.60 -1.35 116.42 122.20 3juj h ASP 232 Ca 0.18 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3juj h ASP 232 Cb 0.24 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3juj h ASP 232 CO -0.28 0.86 -0.08 0.00 -1.72 0.00 0.00 179.24 178.03 3juj h ALA 233 N 1.26 -0.22 -0.89 3.45 0.00 -1.26 -2.24 119.26 119.37 3juj h ALA 233 Ca 0.22 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.07 3juj h ALA 233 Cb 0.26 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3juj h ALA 233 CO -0.01 -0.41 0.57 -0.07 0.00 0.00 0.00 179.25 179.33 3juj h LEU 234 N -0.63 0.64 0.00 0.00 3.38 1.00 0.33 115.31 120.03 3juj h LEU 234 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3juj h LEU 234 Cb 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3juj h LEU 234 CO 0.04 0.32 0.00 0.54 0.09 0.00 0.00 178.44 179.43 3juj n ARG 235 N -4.56 0.00 -0.34 1.13 1.74 -0.52 -0.58 116.66 113.52 3juj n ARG 235 Ca 0.17 0.53 0.08 0.00 -0.77 0.00 0.00 57.85 57.86 3juj n ARG 235 Cb 0.48 -1.46 0.18 0.00 -1.02 0.00 0.00 32.46 30.64 3juj n ARG 235 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3juj h THR 236 N 0.00 0.03 -0.47 0.55 2.02 -0.67 0.18 112.91 114.55 3juj h THR 236 Ca 0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3juj h THR 236 Cb 0.00 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 3juj h THR 236 CO 0.00 0.00 0.29 -0.61 0.37 0.00 0.00 175.52 175.57 3juj h GLN 237 N 0.00 0.63 0.00 6.66 4.15 -0.21 0.16 115.11 126.51 3juj h GLN 237 Ca 0.50 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.83 3juj h GLN 237 Cb 0.85 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 3juj h GLN 237 CO -0.97 0.45 -0.19 0.00 -1.93 0.00 0.00 178.83 176.19 3juj h ALA 238 N 1.15 1.65 0.02 3.38 0.00 0.18 0.40 119.26 126.04 3juj h ALA 238 Ca 0.17 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3juj h ALA 238 Cb -0.03 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3juj h ALA 238 CO -0.03 0.23 -0.28 -0.22 0.00 0.00 0.00 179.25 178.95 3juj h LYS 239 N 0.00 0.16 0.12 0.00 3.11 -0.15 -3.34 116.57 116.47 3juj h LYS 239 Ca -0.00 -0.20 -0.01 0.00 -2.81 0.00 0.00 60.65 57.63 3juj h LYS 239 Cb 0.34 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 3juj h LYS 239 CO 0.02 0.98 -0.06 0.00 -2.81 0.00 0.00 179.45 177.58 3juj h ARG 240 N -0.56 -0.16 0.00 1.90 3.08 -0.55 -3.46 114.38 114.63 3juj h ARG 240 Ca -0.04 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3juj h ARG 240 Cb 1.09 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3juj h ARG 240 CO 0.06 0.29 0.00 1.63 -1.07 0.00 0.00 179.97 180.88 3juj n LYS 241 N -4.86 0.00 0.00 0.04 4.76 0.14 -5.09 118.16 113.15 3juj n LYS 241 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 3juj n LYS 241 Cb 0.26 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.45 3juj n LYS 241 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3juj n ARG 242 N 0.00 0.00 -3.76 1.97 0.00 -1.13 -4.88 116.66 108.86 3juj n ARG 242 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 3juj n ARG 242 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.32 3juj n ARG 242 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 3juj s ILE 243 N -0.33 -0.04 -0.12 5.15 -4.36 -1.26 -3.49 121.20 116.75 3juj s ILE 243 Ca 0.00 0.15 -0.07 0.00 -0.26 0.00 0.00 60.65 60.47 3juj s ILE 243 Cb 0.00 -0.25 -0.04 0.00 1.25 0.00 0.00 42.46 43.42 3juj s ILE 243 CO 0.00 0.06 0.13 -0.63 0.24 0.00 0.00 174.94 174.74 3juj s ILE 244 N 0.99 5.46 0.03 8.37 1.01 0.56 -1.60 121.20 136.02 3juj s ILE 244 Ca -0.08 0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.68 3juj s ILE 244 Cb -0.10 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 3juj s ILE 244 CO -0.05 0.61 0.33 0.00 0.00 0.00 0.00 174.94 175.83 3juj s ALA 245 N -0.96 3.78 -0.08 9.38 0.00 0.21 -1.15 121.76 132.94 3juj s ALA 245 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3juj s ALA 245 Cb -0.12 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.85 3juj s ALA 245 CO 0.04 0.60 -0.06 -0.47 0.00 0.00 0.00 175.76 175.86 3juj s TYR 246 N -1.30 1.14 -0.82 0.00 5.04 0.35 -1.84 117.35 119.92 3juj s TYR 246 Ca 0.29 -0.46 -0.21 0.00 -2.44 0.00 0.00 57.07 54.24 3juj s TYR 246 Cb -0.14 -0.98 0.09 0.00 0.35 0.00 0.00 41.96 41.28 3juj s TYR 246 CO 0.16 -0.36 1.11 -1.14 -1.34 0.00 0.00 175.55 173.98 3juj s GLN 247 N 1.38 3.37 0.88 4.97 0.74 -0.07 0.00 119.66 130.93 3juj s GLN 247 Ca -0.03 -1.21 -0.11 0.00 0.05 0.00 0.00 55.36 54.06 3juj s GLN 247 Cb -0.14 -4.65 0.12 0.00 1.10 0.00 0.00 33.01 29.45 3juj s GLN 247 CO -0.03 -1.87 1.09 -0.59 -0.55 0.00 0.00 175.29 173.34 3juj s PHE 248 N 3.72 2.35 -0.19 1.67 -0.12 -1.25 -4.89 117.98 119.26 3juj s PHE 248 Ca 0.30 1.30 -0.08 0.00 -0.05 0.00 0.00 56.93 58.40 3juj s PHE 248 Cb -0.09 -3.15 -0.04 0.00 -0.63 0.00 0.00 43.02 39.11 3juj s PHE 248 CO -0.00 -2.31 0.08 0.15 -0.05 0.00 0.00 175.22 173.09 3juj s LYS 249 N -4.93 4.02 0.00 1.99 1.02 -1.26 -5.01 119.74 115.56 3juj s LYS 249 Ca 0.63 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.30 3juj s LYS 249 Cb -0.18 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3juj s LYS 249 CO 0.57 0.25 0.00 0.41 -0.92 0.00 0.00 175.35 175.66 3juj n GLY 250 N 3.61 2.95 3.92 -3.33 0.00 -1.26 -4.66 105.19 106.42 3juj n GLY 250 Ca -0.16 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.53 3.57 -0.05 1.61 2.20 0.26 -4.83 119.74 119.97 3juj s LYS 251 Ca 0.00 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.41 3juj s LYS 251 Cb 0.00 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.54 3juj s LYS 251 CO 0.00 0.37 -0.04 0.50 -0.36 0.00 0.00 175.35 175.82 3juj s ARG 252 N -3.22 0.81 -0.21 4.03 3.00 -1.26 0.14 118.95 122.24 3juj s ARG 252 Ca 0.40 -0.09 -0.05 0.00 -1.00 0.00 0.00 55.73 55.00 3juj s ARG 252 Cb -0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 34.95 33.97 3juj s ARG 252 CO 0.28 -0.10 -0.01 0.71 0.00 0.00 0.00 175.30 176.18 3juj s TYR 253 N 1.01 3.01 -0.64 5.12 1.51 0.60 -4.93 117.35 123.03 3juj s TYR 253 Ca -0.10 -0.63 -0.28 0.00 -1.01 0.00 0.00 57.07 55.06 3juj s TYR 253 Cb -0.14 -2.11 0.03 0.00 -0.11 0.00 0.00 41.96 39.63 3juj s TYR 253 CO -0.00 -0.37 1.26 0.34 -1.11 0.00 0.00 175.55 175.66 3juj s ASP 254 N 1.25 6.29 -0.11 2.29 3.68 -1.26 -1.77 116.67 127.03 3juj s ASP 254 Ca 0.03 -0.10 0.08 0.00 2.13 0.00 0.00 52.55 54.69 3juj s ASP 254 Cb -0.15 -2.56 0.42 0.00 -1.45 0.00 0.00 42.92 39.19 3juj s ASP 254 CO 0.00 -1.66 1.17 0.00 0.13 0.00 0.00 175.17 174.82 3juj h GLY 256 N 4.56 0.00 -4.29 0.00 0.00 -1.88 -3.43 103.07 98.02 3juj h GLY 256 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3juj h GLY 256 CO 0.23 0.00 -0.76 -1.35 0.00 0.00 0.00 176.54 174.67 3juj s SER 257 N -4.72 4.22 0.32 0.19 1.04 -1.22 -4.86 113.70 108.67 3juj s SER 257 Ca 0.10 -0.41 0.11 0.00 0.48 0.00 0.00 55.95 56.22 3juj s SER 257 Cb 0.11 -0.76 0.54 0.00 0.10 0.00 0.00 66.02 66.01 3juj s SER 257 CO 0.59 0.20 1.73 1.62 0.98 0.00 0.00 173.24 178.36 3juj h VAL 258 N 3.45 1.34 0.14 5.02 3.04 -1.87 -0.73 116.25 126.64 3juj h VAL 258 Ca -0.49 -1.61 -0.01 0.00 -1.01 0.00 0.00 66.70 63.58 3juj h VAL 258 Cb 1.17 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 3juj h VAL 258 CO 0.50 0.46 -0.07 -0.08 -1.01 0.00 0.00 177.57 177.38 3juj h GLU 259 N 0.04 -0.18 -0.39 4.17 4.81 -1.95 0.13 114.58 121.21 3juj h GLU 259 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3juj h GLU 259 Cb 0.84 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 3juj h GLU 259 CO 0.06 -0.09 0.12 0.78 -0.73 0.00 0.00 179.01 179.15 3juj h GLY 260 N -0.23 0.60 0.92 1.92 0.00 -1.59 -0.81 103.07 103.88 3juj h GLY 260 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3juj h GLY 260 CO 0.03 0.29 0.12 -1.82 0.00 0.00 0.00 176.54 175.16 3juj h TYR 261 N 0.56 0.49 -0.70 5.60 3.20 -0.69 -0.77 116.97 124.66 3juj h TYR 261 Ca 0.13 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3juj h TYR 261 Cb 0.18 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3juj h TYR 261 CO 0.01 0.48 0.26 0.82 -1.64 0.00 0.00 178.16 178.08 3juj h ILE 262 N 0.37 1.25 -0.42 1.81 1.08 0.09 -2.69 117.51 119.00 3juj h ILE 262 Ca 0.11 -0.81 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 3juj h ILE 262 Cb 0.20 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 3juj h ILE 262 CO -0.01 0.32 0.18 -0.33 -0.69 0.00 0.00 178.15 177.63 3juj h GLU 263 N 1.00 0.61 0.02 2.37 5.08 -1.00 -2.34 114.58 120.33 3juj h GLU 263 Ca 0.23 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3juj h GLU 263 Cb 0.24 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3juj h GLU 263 CO -0.01 0.55 -0.48 0.00 -1.00 0.00 0.00 179.01 178.07 3juj h ALA 264 N 1.03 -0.92 -0.98 3.43 0.00 -0.90 0.29 119.26 121.21 3juj h ALA 264 Ca 0.14 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.09 3juj h ALA 264 Cb 0.16 0.90 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 3juj h ALA 264 CO -0.01 -1.06 0.62 0.66 0.00 0.00 0.00 179.25 179.46 3juj h SER 265 N -0.62 0.87 -0.17 0.00 4.64 -1.43 0.19 113.55 117.03 3juj h SER 265 Ca 0.01 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3juj h SER 265 Cb 0.66 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3juj h SER 265 CO -0.31 0.45 0.02 0.78 -0.87 0.00 0.00 176.83 176.91 3juj h ASN 266 N 0.93 0.27 -0.17 4.97 2.35 -0.83 0.21 115.58 123.31 3juj h ASN 266 Ca 0.49 -0.27 0.05 0.00 -0.55 0.00 0.00 56.30 56.02 3juj h ASN 266 Cb 0.54 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.79 3juj h ASN 266 CO -0.25 0.47 -0.17 0.00 -1.65 0.00 0.00 177.43 175.82 3juj h ALA 267 N 0.81 -0.08 0.00 -0.83 0.00 0.10 -0.62 119.26 118.64 3juj h ALA 267 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3juj h ALA 267 Cb 0.32 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3juj h ALA 267 CO 0.00 -0.62 0.00 1.88 0.00 0.00 0.00 179.25 180.52 3juj h TYR 268 N -0.20 0.00 0.01 0.00 0.05 -0.58 -1.77 116.97 114.48 3juj h TYR 268 Ca 0.11 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 3juj h TYR 268 Cb 0.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 3juj h TYR 268 CO -0.30 0.00 -0.12 -0.92 -1.05 0.00 0.00 178.16 175.77 3juj h TYR 269 N 0.00 0.10 0.03 4.88 3.20 0.24 -3.16 116.97 122.25 3juj h TYR 269 Ca 0.00 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.83 3juj h TYR 269 Cb 0.46 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 3juj h TYR 269 CO 0.00 0.95 -0.21 0.87 -1.64 0.00 0.00 178.16 178.12 3juj h LYS 270 N -0.78 -0.34 0.00 1.82 1.57 -1.01 0.49 116.57 118.32 3juj h LYS 270 Ca -0.02 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3juj h LYS 270 Cb 0.99 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3juj h LYS 270 CO 0.02 -0.23 0.51 -0.22 -0.57 0.00 0.00 179.45 178.96 3juj h LYS 271 N -0.36 0.00 -5.66 3.15 3.64 -1.40 -3.35 116.57 112.59 3juj h LYS 271 Ca 0.05 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.82 3juj h LYS 271 Cb 0.42 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.11 3juj h LYS 271 CO -0.18 0.00 0.61 1.03 -2.27 0.00 0.00 179.45 178.64 3juj s ARG 272 N -3.31 3.18 0.00 1.90 1.81 0.16 -5.07 118.95 117.61 3juj s ARG 272 Ca -0.01 -0.61 0.00 0.00 -1.72 0.00 0.00 55.73 53.39 3juj s ARG 272 Cb 0.03 -4.18 0.00 0.00 -0.45 0.00 0.00 34.95 30.35 3juj s ARG 272 CO 0.08 -1.77 0.00 1.47 -0.68 0.00 0.00 175.30 174.40