#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 3.13 -0.20 2.02 -1.09 -1.26 -4.91 121.20 118.88 3juj s ILE 2 Ca 0.00 0.51 0.09 0.00 -2.23 0.00 0.00 60.65 59.03 3juj s ILE 2 Cb 0.00 -3.33 -0.22 0.00 -1.58 0.00 0.00 42.46 37.33 3juj s ILE 2 CO 0.00 -0.01 0.05 0.29 -1.23 0.00 0.00 174.94 174.04 3juj n LYS 3 N 5.86 0.68 -4.34 2.79 4.01 -1.26 -4.14 118.16 121.76 3juj n LYS 3 Ca 0.16 0.10 -0.30 0.00 -0.51 0.00 0.00 58.31 57.76 3juj n LYS 3 Cb 0.41 -1.56 -0.10 0.00 -0.51 0.00 0.00 35.03 33.26 3juj n LYS 3 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3juj s LYS 4 N -2.52 2.25 -0.08 1.97 1.02 -1.26 -0.05 119.74 121.06 3juj s LYS 4 Ca -0.20 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 54.87 3juj s LYS 4 Cb 0.07 -2.35 0.02 0.00 -0.52 0.00 0.00 37.83 35.05 3juj s LYS 4 CO 0.74 0.54 -0.11 0.00 -0.92 0.00 0.00 175.35 175.59 3juj s LEU 6 N 0.98 4.39 -0.36 0.00 0.20 0.69 -1.45 118.68 123.13 3juj s LEU 6 Ca -0.09 1.31 0.01 0.00 0.69 0.00 0.00 54.13 56.05 3juj s LEU 6 Cb -0.15 -3.35 0.11 0.00 -0.43 0.00 0.00 46.19 42.37 3juj s LEU 6 CO -0.00 0.11 0.14 -0.36 -0.29 0.00 0.00 176.35 175.95 3juj s PHE 7 N -1.41 2.03 -0.13 5.38 0.40 0.18 -1.84 117.98 122.61 3juj s PHE 7 Ca 0.38 -2.12 -0.29 0.00 -0.60 0.00 0.00 56.93 54.30 3juj s PHE 7 Cb -0.17 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 3juj s PHE 7 CO 0.20 -0.85 1.61 -2.14 0.70 0.00 0.00 175.22 174.74 3juj s PRO 8 N 1.09 4.03 -0.18 0.24 0.02 -1.26 -0.22 135.00 138.72 3juj s PRO 8 Ca 0.13 1.95 0.23 0.00 0.02 0.00 0.00 61.00 63.33 3juj s PRO 8 Cb -0.20 -3.99 0.48 0.00 0.02 0.00 0.00 34.50 30.81 3juj s PRO 8 CO -0.14 -1.01 1.14 0.00 -0.33 0.00 0.00 177.00 176.65 3juj n ALA 9 N 7.63 2.54 0.50 -1.55 0.00 0.13 -4.75 120.51 125.00 3juj n ALA 9 Ca 0.18 -2.56 0.11 0.00 0.00 0.00 0.00 53.44 51.16 3juj n ALA 9 Cb 0.44 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.30 3.72 -1.26 0.00 0.00 -1.21 -3.69 120.51 117.77 3juj n ALA 10 Ca 0.06 -0.54 -0.45 0.00 0.00 0.00 0.00 53.44 52.51 3juj n ALA 10 Cb 0.90 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 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 1.38 -1.15 0.00 0.00 0.00 -1.26 -4.64 105.19 99.51 3juj n GLY 11 Ca 0.00 0.41 0.12 0.00 0.00 0.00 0.00 46.02 46.56 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 0.40 0.00 -4.36 1.61 4.01 -1.26 -4.74 117.16 112.82 3juj n TYR 12 Ca 0.16 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.54 3juj n TYR 12 Cb 0.18 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.10 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 0.57 -0.30 0.28 2.72 0.00 -1.26 -4.82 105.19 102.39 3juj n GLY 13 Ca 0.18 0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.38 0.90 0.00 2.61 2.02 -1.96 -1.15 112.91 113.96 3juj h THR 14 Ca -0.62 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.32 3juj h THR 14 Cb 1.39 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3juj h THR 14 CO 0.79 0.13 0.00 0.54 0.37 0.00 0.00 175.52 177.35 3juj n ARG 15 N -4.80 0.30 -0.13 6.66 1.74 -1.26 -2.66 116.66 116.51 3juj n ARG 15 Ca 0.11 0.08 0.09 0.00 -0.77 0.00 0.00 57.85 57.37 3juj n ARG 15 Cb 0.25 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.33 3juj n ARG 15 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3juj n PHE 16 N -1.15 0.00 -1.38 -1.55 3.01 -0.44 -4.81 117.46 111.15 3juj n PHE 16 Ca 0.08 -1.04 -0.31 0.00 1.01 0.00 0.00 57.45 57.19 3juj n PHE 16 Cb 0.08 -0.16 0.08 0.00 -0.01 0.00 0.00 39.48 39.46 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 -2.88 3.09 0.34 4.37 2.01 -1.09 -2.78 118.68 121.74 3juj s LEU 17 Ca 0.32 1.79 0.21 0.00 0.01 0.00 0.00 54.13 56.46 3juj s LEU 17 Cb 0.29 -4.52 0.19 0.00 0.01 0.00 0.00 46.19 42.16 3juj s LEU 17 CO 0.02 -1.85 1.42 1.55 1.01 0.00 0.00 176.35 178.50 3juj h PRO 18 N -0.93 0.00 -0.04 1.29 0.13 -1.95 -3.45 132.00 127.05 3juj h PRO 18 Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 3juj h PRO 18 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3juj h PRO 18 CO 0.53 0.13 0.29 0.97 -0.23 0.00 0.00 178.00 179.69 3juj h ILE 19 N 0.00 0.05 -0.00 -3.56 2.10 -1.94 0.26 117.51 114.41 3juj h ILE 19 Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.93 3juj h ILE 19 Cb 1.12 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 3juj h ILE 19 CO 0.02 0.00 -0.05 0.41 -1.08 0.00 0.00 178.15 177.45 3juj n THR 20 N -3.02 0.00 0.23 2.19 -1.04 -1.12 -0.56 114.28 110.97 3juj n THR 20 Ca -0.01 -0.03 0.12 0.00 -2.04 0.00 0.00 64.05 62.09 3juj n THR 20 Cb 0.36 -0.31 0.39 0.00 -1.82 0.00 0.00 70.33 68.95 3juj n THR 20 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 3juj h LYS 21 N 0.28 0.00 0.00 -2.82 2.10 -0.80 -3.39 116.57 111.94 3juj h LYS 21 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3juj h LYS 21 Cb 0.28 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3juj h LYS 21 CO 0.00 0.13 -0.75 2.41 -2.00 0.00 0.00 179.45 179.24 3juj n THR 22 N -3.20 0.31 -2.97 0.07 -1.04 -1.11 -4.98 114.28 101.36 3juj n THR 22 Ca 0.02 0.10 -0.41 0.00 -2.04 0.00 0.00 64.05 61.72 3juj n THR 22 Cb 0.46 -1.52 -0.05 0.00 -1.82 0.00 0.00 70.33 67.39 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 -2.00 4.90 0.49 12.58 -1.09 0.28 -4.88 121.20 131.47 3juj s ILE 23 Ca -0.00 1.42 -0.24 0.00 -2.23 0.00 0.00 60.65 59.60 3juj s ILE 23 Cb 0.00 -4.05 -0.07 0.00 -1.58 0.00 0.00 42.46 36.76 3juj s ILE 23 CO 0.00 -0.01 1.40 -0.81 -1.23 0.00 0.00 174.94 174.29 3juj n PRO 24 N 5.71 2.02 -0.19 2.79 -0.04 -1.26 -4.17 135.00 139.85 3juj n PRO 24 Ca 0.03 0.73 -0.01 0.00 -0.04 0.00 0.00 63.50 64.21 3juj n PRO 24 Cb 0.48 -2.61 0.10 0.00 -0.04 0.00 0.00 33.50 31.43 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 1.92 0.33 0.00 0.54 1.63 -1.88 -0.16 116.57 118.96 3juj h LYS 25 Ca -0.51 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 3juj h LYS 25 Cb 1.28 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3juj h LYS 25 CO 0.59 0.22 0.02 0.39 -3.45 0.00 0.00 179.45 177.22 3juj n GLU 26 N -5.05 0.05 -0.11 1.90 4.71 -1.26 -1.62 120.64 119.26 3juj n GLU 26 Ca 0.08 0.54 0.09 0.00 -0.01 0.00 0.00 57.16 57.86 3juj n GLU 26 Cb 0.27 -1.68 0.14 0.00 -1.01 0.00 0.00 31.44 29.16 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 -1.76 2.03 -2.10 3.49 2.81 -0.07 -1.10 117.12 120.41 3juj n MET 27 Ca -0.01 -1.91 -0.40 0.00 -1.81 0.00 0.00 57.70 53.58 3juj n MET 27 Cb 0.03 -1.39 -0.01 0.00 -0.71 0.00 0.00 33.22 31.14 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 -1.32 4.29 0.30 4.03 1.43 -0.64 -4.57 118.68 122.20 3juj s LEU 28 Ca 0.28 2.63 -0.25 0.00 -1.03 0.00 0.00 54.13 55.76 3juj s LEU 28 Cb 0.17 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 3juj s LEU 28 CO 0.24 -0.72 0.90 -2.16 0.23 0.00 0.00 176.35 174.84 3juj s PRO 29 N -2.09 4.53 0.00 1.29 0.04 -1.26 -1.31 135.00 136.20 3juj s PRO 29 Ca 0.54 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.82 3juj s PRO 29 Cb -0.38 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.32 3juj s PRO 29 CO 0.49 0.32 0.00 -0.89 0.04 0.00 0.00 177.00 176.96 3juj n ILE 30 N 0.65 0.00 0.00 0.56 2.08 0.10 -4.91 119.36 117.85 3juj n ILE 30 Ca 0.01 0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.36 3juj n ILE 30 Cb 0.50 -0.38 0.00 0.00 -0.75 0.00 0.00 39.64 39.01 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 -0.89 0.00 -0.27 1.39 0.24 -1.26 -4.81 118.33 112.73 3juj n VAL 31 Ca 0.00 0.08 0.01 0.00 -2.04 0.00 0.00 64.34 62.39 3juj n VAL 31 Cb 0.00 -1.02 0.01 0.00 -1.47 0.00 0.00 33.84 31.36 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 -1.64 1.73 -3.99 -1.34 5.68 -1.26 -5.04 116.55 110.70 3juj n ASP 32 Ca 0.00 -1.97 -0.09 0.00 -0.50 0.00 0.00 54.79 52.23 3juj n ASP 32 Cb 0.00 -0.04 -0.11 0.00 -1.14 0.00 0.00 41.12 39.83 3juj n ASP 32 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3juj s LYS 33 N -1.03 0.35 0.62 0.11 -2.85 -1.26 -5.08 119.74 110.60 3juj s LYS 33 Ca 0.03 -0.67 -0.17 0.00 -1.00 0.00 0.00 55.97 54.16 3juj s LYS 33 Cb 0.03 0.13 -0.02 0.00 -2.06 0.00 0.00 37.83 35.90 3juj s LYS 33 CO 0.00 -0.06 1.15 -1.25 0.10 0.00 0.00 175.35 175.29 3juj s PRO 34 N -1.74 2.94 0.31 1.78 0.04 -1.26 -0.72 135.00 136.36 3juj s PRO 34 Ca -0.13 1.59 0.07 0.00 0.04 0.00 0.00 61.00 62.56 3juj s PRO 34 Cb -0.08 -1.95 0.77 0.00 0.04 0.00 0.00 34.50 33.28 3juj s PRO 34 CO -0.02 -1.17 1.78 -0.07 0.04 0.00 0.00 177.00 177.55 3juj h LEU 35 N 0.54 0.77 -2.09 -3.56 -0.00 -1.05 -0.58 115.31 109.34 3juj h LEU 35 Ca -0.49 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.48 3juj h LEU 35 Cb 1.27 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 41.89 3juj h LEU 35 CO 0.55 0.26 -0.05 -0.29 -0.00 0.00 0.00 178.44 178.91 3juj h ILE 36 N 0.74 0.80 0.11 1.22 6.09 -1.42 -2.87 117.51 122.18 3juj h ILE 36 Ca 0.58 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 63.88 3juj h ILE 36 Cb 0.94 1.11 0.00 0.00 0.47 0.00 0.00 36.82 39.34 3juj h ILE 36 CO -0.38 0.05 -0.05 -0.61 -3.07 0.00 0.00 178.15 174.09 3juj h GLN 37 N 0.00 -0.15 -0.94 2.19 4.15 -1.38 -1.60 115.11 117.39 3juj h GLN 37 Ca -0.00 0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.62 3juj h GLN 37 Cb 0.10 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.75 3juj h GLN 37 CO 0.01 0.12 0.60 1.88 -1.93 0.00 0.00 178.83 179.51 3juj h TYR 38 N -0.41 0.73 0.81 3.99 0.05 -1.59 0.35 116.97 120.91 3juj h TYR 38 Ca -0.02 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 3juj h TYR 38 Cb 0.33 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 37.86 3juj h TYR 38 CO 0.01 0.19 -0.39 0.00 -1.05 0.00 0.00 178.16 176.92 3juj h ALA 39 N 1.61 -1.09 -0.89 3.88 0.00 -1.35 -0.88 119.26 120.54 3juj h ALA 39 Ca 0.50 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3juj h ALA 39 Cb 1.04 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 3juj h ALA 39 CO -0.24 -1.03 0.59 0.28 0.00 0.00 0.00 179.25 178.85 3juj h VAL 40 N -1.26 1.19 -0.84 0.00 2.07 -0.55 0.37 116.25 117.22 3juj h VAL 40 Ca -0.11 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3juj h VAL 40 Cb 0.84 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3juj h VAL 40 CO 0.18 0.21 0.53 -0.08 0.02 0.00 0.00 177.57 178.43 3juj h GLU 41 N 1.15 1.13 -0.39 1.57 4.57 -0.28 0.89 114.58 123.22 3juj h GLU 41 Ca 0.34 -0.09 -0.14 0.00 -1.18 0.00 0.00 59.36 58.29 3juj h GLU 41 Cb -0.05 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.29 3juj h GLU 41 CO -0.09 0.77 -0.31 1.49 -1.18 0.00 0.00 179.01 179.69 3juj h GLU 42 N 1.15 0.90 -0.47 1.92 4.81 0.48 -1.67 114.58 121.71 3juj h GLU 42 Ca 0.30 -0.44 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 3juj h GLU 42 Cb -0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3juj h GLU 42 CO -0.06 1.10 -0.10 0.00 -0.73 0.00 0.00 179.01 179.22 3juj h ALA 43 N 0.79 0.64 -0.85 2.92 0.00 -0.68 -2.87 119.26 119.20 3juj h ALA 43 Ca 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3juj h ALA 43 Cb 0.89 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3juj h ALA 43 CO 0.08 0.52 0.57 1.98 0.00 0.00 0.00 179.25 182.40 3juj h MET 44 N 0.73 1.12 0.00 0.00 1.85 -0.76 -0.84 114.93 117.03 3juj h MET 44 Ca 0.12 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 3juj h MET 44 Cb 0.64 -0.25 0.00 0.00 0.43 0.00 0.00 31.60 32.41 3juj h MET 44 CO 0.04 0.74 0.00 0.39 -0.40 0.00 0.00 176.91 177.68 3juj n GLU 45 N -4.49 0.10 -0.47 0.39 1.02 -0.64 -1.82 120.64 114.73 3juj n GLU 45 Ca 0.09 0.22 0.08 0.00 -0.02 0.00 0.00 57.16 57.53 3juj n GLU 45 Cb 0.02 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.20 3juj n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3juj n ALA 46 N -1.39 3.01 -0.53 0.62 0.00 -0.38 -4.85 120.51 117.00 3juj n ALA 46 Ca 0.05 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.30 3juj n ALA 46 Cb 0.12 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.32 1.39 3.77 0.00 0.00 -0.76 -4.87 105.19 104.40 3juj n GLY 47 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 0.82 2.38 -4.08 0.00 1.02 0.93 -4.40 120.64 117.30 3juj n GLU 49 Ca 0.01 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 3juj n GLU 49 Cb 0.41 -1.23 -0.07 0.00 -0.02 0.00 0.00 31.44 30.53 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 -2.21 5.01 -0.45 2.62 1.01 -0.54 -1.18 120.40 124.66 3juj s VAL 50 Ca -0.05 0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3juj s VAL 50 Cb 0.03 -3.16 0.12 0.00 0.00 0.00 0.00 36.38 33.36 3juj s VAL 50 CO 0.35 0.60 0.19 -0.04 0.00 0.00 0.00 175.10 176.21 3juj s MET 51 N -1.00 1.84 -0.44 2.72 -1.94 0.60 -1.96 119.30 119.12 3juj s MET 51 Ca 0.15 -2.27 -0.22 0.00 -1.71 0.00 0.00 55.69 51.64 3juj s MET 51 Cb -0.12 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.41 3juj s MET 51 CO 0.04 -1.05 0.73 0.00 -0.01 0.00 0.00 175.02 174.73 3juj s ALA 52 N 0.30 3.32 -0.19 3.03 0.00 -0.53 -1.88 121.76 125.81 3juj s ALA 52 Ca 0.14 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 3juj s ALA 52 Cb -0.23 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 3juj s ALA 52 CO -0.04 -1.84 -0.02 0.42 0.00 0.00 0.00 175.76 174.29 3juj s ILE 53 N 3.10 3.84 -0.18 0.00 1.01 -0.32 0.51 121.20 129.16 3juj s ILE 53 Ca 0.27 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.38 3juj s ILE 53 Cb -0.13 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 3juj s ILE 53 CO 0.21 0.44 0.53 -0.69 0.00 0.00 0.00 174.94 175.43 3juj s VAL 54 N 0.92 5.11 0.29 2.92 1.01 0.69 -1.88 120.40 129.46 3juj s VAL 54 Ca 0.01 0.99 0.08 0.00 0.00 0.00 0.00 61.98 63.05 3juj s VAL 54 Cb -0.14 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 3juj s VAL 54 CO 0.02 0.20 -0.09 0.42 0.00 0.00 0.00 175.10 175.64 3juj s THR 55 N 1.47 1.86 0.00 3.92 -4.23 -0.38 0.18 115.64 118.46 3juj s THR 55 Ca 0.25 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3juj s THR 55 Cb -0.15 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3juj s THR 55 CO 0.10 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3juj n GLY 56 N -0.61 2.29 0.07 3.99 0.00 -1.24 -0.93 105.19 108.75 3juj n GLY 56 Ca -0.06 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 3juj n GLY 56 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3juj h ARG 57 N 0.00 0.00 -6.29 1.61 9.65 -1.90 -3.41 114.38 114.04 3juj h ARG 57 Ca 0.00 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.32 3juj h ARG 57 Cb 0.00 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.49 3juj h ARG 57 CO 0.00 0.77 1.16 -0.80 2.80 0.00 0.00 179.97 183.91 3juj s ASN 58 N -6.08 6.24 0.00 -3.80 0.02 -1.26 -4.51 114.94 105.55 3juj s ASN 58 Ca -0.15 -0.70 0.00 0.00 -1.02 0.00 0.00 52.86 50.99 3juj s ASN 58 Cb -0.02 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.69 3juj s ASN 58 CO 0.53 -1.76 0.00 2.29 0.02 0.00 0.00 177.10 178.19 3juj n LYS 59 N 9.25 0.00 -0.03 -0.60 -0.00 -1.26 -4.53 118.16 120.98 3juj n LYS 59 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.32 3juj n LYS 59 Cb 0.49 -0.34 -0.03 0.00 -0.00 0.00 0.00 35.03 35.15 3juj n LYS 59 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 3juj h ARG 60 N 0.00 0.14 0.00 -1.58 0.11 -1.95 -0.84 114.38 110.26 3juj h ARG 60 Ca 0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 3juj h ARG 60 Cb 0.46 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 3juj h ARG 60 CO 0.00 0.09 -0.17 0.66 0.10 0.00 0.00 179.97 180.65 3juj h SER 61 N 0.14 0.00 0.33 0.08 4.64 -1.96 -0.62 113.55 116.16 3juj h SER 61 Ca 0.07 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.17 3juj h SER 61 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3juj h SER 61 CO -0.08 0.17 -0.93 0.25 -0.87 0.00 0.00 176.83 175.38 3juj h LEU 62 N 0.00 0.53 -0.12 5.97 6.46 -1.72 -2.30 115.31 124.13 3juj h LEU 62 Ca -0.00 -0.42 -0.24 0.00 -0.12 0.00 0.00 57.88 57.10 3juj h LEU 62 Cb 0.34 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.12 3juj h LEU 62 CO 0.02 1.21 -0.85 -0.33 -0.62 0.00 0.00 178.44 177.88 3juj h GLU 63 N 0.24 0.78 -0.26 1.25 5.08 -0.68 -3.26 114.58 117.72 3juj h GLU 63 Ca -0.08 -0.68 -0.07 0.00 -1.00 0.00 0.00 59.36 57.53 3juj h GLU 63 Cb 1.56 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 3juj h GLU 63 CO 0.16 1.28 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.88 3juj h ASP 64 N 0.51 0.42 -0.75 1.42 5.19 -1.15 -3.01 116.42 119.05 3juj h ASP 64 Ca -0.07 -0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.24 3juj h ASP 64 Cb 1.49 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 40.85 3juj h ASP 64 CO 0.17 0.58 0.50 0.22 -3.12 0.00 0.00 179.24 177.59 3juj h TYR 65 N 0.40 0.95 -0.39 4.55 3.20 -1.45 -1.43 116.97 122.81 3juj h TYR 65 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3juj h TYR 65 Cb 0.47 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3juj h TYR 65 CO 0.01 0.60 0.00 1.19 -1.64 0.00 0.00 178.16 178.32 3juj n PHE 66 N -4.56 0.76 -3.71 -3.82 3.01 -1.19 -4.82 117.46 103.12 3juj n PHE 66 Ca 0.07 -0.32 -0.35 0.00 1.01 0.00 0.00 57.45 57.86 3juj n PHE 66 Cb 0.02 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.32 3juj n PHE 66 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3juj s ASP 67 N -0.81 6.54 -0.27 4.37 3.68 -0.54 -4.90 116.67 124.74 3juj s ASP 67 Ca 0.29 0.64 -0.29 0.00 2.13 0.00 0.00 52.55 55.31 3juj s ASP 67 Cb 0.17 -2.12 0.01 0.00 -1.45 0.00 0.00 42.92 39.54 3juj s ASP 67 CO 0.16 0.27 1.06 0.28 0.13 0.00 0.00 175.17 177.07 3juj s THR 68 N -1.25 4.58 -0.40 1.71 -1.32 -1.26 -4.97 115.64 112.73 3juj s THR 68 Ca 0.26 1.87 -0.17 0.00 -1.21 0.00 0.00 61.69 62.44 3juj s THR 68 Cb -0.14 -4.36 0.01 0.00 -1.51 0.00 0.00 72.50 66.51 3juj s THR 68 CO 0.14 -0.33 0.46 -0.55 -2.21 0.00 0.00 174.62 172.13 3juj s SER 69 N 1.45 6.22 0.00 8.08 0.15 -1.26 -4.93 113.70 123.42 3juj s SER 69 Ca 0.45 -0.49 0.26 0.00 0.70 0.00 0.00 55.95 56.87 3juj s SER 69 Cb -0.14 -2.23 1.25 0.00 -1.71 0.00 0.00 66.02 63.19 3juj s SER 69 CO 0.11 -0.55 1.86 -1.22 1.20 0.00 0.00 173.24 174.64 3juj n TYR 70 N 5.65 0.00 -0.02 3.44 4.02 -1.26 -3.22 117.16 125.77 3juj n TYR 70 Ca -0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.82 3juj n TYR 70 Cb 0.48 -0.34 -0.00 0.00 -0.02 0.00 0.00 39.34 39.46 3juj n TYR 70 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3juj h GLU 71 N 0.00 0.00 0.00 -0.72 4.81 -2.01 -3.31 114.58 113.35 3juj h GLU 71 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3juj h GLU 71 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3juj h GLU 71 CO 0.00 0.00 0.00 1.51 -0.73 0.00 0.00 179.01 179.79 3juj n ILE 72 N -3.31 1.13 -0.12 2.32 3.06 -1.26 -1.84 119.36 119.34 3juj n ILE 72 Ca -0.00 0.39 -0.12 0.00 -2.50 0.00 0.00 62.75 60.51 3juj n ILE 72 Cb 0.01 -1.30 -0.02 0.00 0.54 0.00 0.00 39.64 38.87 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 0.86 0.68 9.51 5.08 -1.68 -2.16 114.58 126.87 3juj h GLU 73 Ca 0.00 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 3juj h GLU 73 Cb 0.19 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.44 3juj h GLU 73 CO 0.00 1.06 -0.33 1.25 -1.00 0.00 0.00 179.01 179.99 3juj h HIS 74 N 0.67 -0.85 -0.59 4.33 2.76 -1.45 -2.42 115.15 117.60 3juj h HIS 74 Ca 0.07 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 3juj h HIS 74 Cb 0.85 0.28 -0.07 0.00 1.55 0.00 0.00 27.41 30.01 3juj h HIS 74 CO 0.06 -0.53 -0.35 1.04 -1.30 0.00 0.00 177.93 176.86 3juj n GLN 75 N -5.31 -0.26 -0.02 5.26 1.13 -1.15 -0.63 117.38 116.39 3juj n GLN 75 Ca -0.11 0.93 -0.15 0.00 -1.94 0.00 0.00 57.00 55.73 3juj n GLN 75 Cb 0.36 -1.37 -0.09 0.00 0.11 0.00 0.00 30.24 29.24 3juj n GLN 75 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3juj h ILE 76 N 0.00 0.02 -0.89 5.09 1.08 -1.38 -3.39 117.51 118.04 3juj h ILE 76 Ca 0.09 0.00 -0.86 0.00 -0.39 0.00 0.00 64.86 63.71 3juj h ILE 76 Cb 0.24 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.02 3juj h ILE 76 CO -0.56 0.00 0.78 1.67 -0.69 0.00 0.00 178.15 179.36 3juj n GLN 77 N -5.43 0.05 0.00 2.37 7.27 0.20 0.09 117.38 121.92 3juj n GLN 77 Ca -0.05 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.03 3juj n GLN 77 Cb 0.37 -1.53 0.00 0.00 2.41 0.00 0.00 30.24 31.50 3juj n GLN 77 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3juj n GLY 78 N 4.48 2.64 3.70 1.69 0.00 -1.26 -5.00 105.19 111.44 3juj n GLY 78 Ca 0.34 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3juj n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3juj s THR 79 N -1.09 2.15 -2.00 2.61 -1.32 0.11 -4.87 115.64 111.23 3juj s THR 79 Ca 0.00 0.06 0.17 0.00 -1.21 0.00 0.00 61.69 60.71 3juj s THR 79 Cb 0.00 -2.40 0.48 0.00 -1.51 0.00 0.00 72.50 69.07 3juj s THR 79 CO 0.00 -0.05 1.42 -0.46 -2.21 0.00 0.00 174.62 173.32 3juj n ASN 80 N -3.44 0.00 -0.42 8.08 2.04 -1.26 -2.16 115.26 118.09 3juj n ASN 80 Ca 0.13 -0.56 0.08 0.00 -0.44 0.00 0.00 54.58 53.79 3juj n ASN 80 Cb 0.51 0.00 0.18 0.00 -2.53 0.00 0.00 39.78 37.94 3juj n ASN 80 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3juj n LYS 81 N -0.99 1.82 0.00 -3.83 4.01 -1.26 -4.75 118.16 113.16 3juj n LYS 81 Ca 0.13 -2.75 0.00 0.00 -0.51 0.00 0.00 58.31 55.18 3juj n LYS 81 Cb 0.06 -1.63 0.00 0.00 -0.51 0.00 0.00 35.03 32.95 3juj n LYS 81 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 3juj n GLU 82 N -1.12 0.55 0.00 1.97 0.28 -0.92 -2.45 120.64 118.94 3juj n GLU 82 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 3juj n GLU 82 Cb 0.74 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 32.37 3juj n GLU 82 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3juj n ASN 83 N 0.58 0.00 0.11 -1.84 5.03 -1.26 -4.80 115.26 113.08 3juj n ASN 83 Ca 0.00 -1.00 0.12 0.00 0.87 0.00 0.00 54.58 54.57 3juj n ASN 83 Cb 0.24 0.00 0.23 0.00 -1.02 0.00 0.00 39.78 39.23 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 0.00 0.80 -0.69 5.41 0.00 -1.87 -3.21 119.26 119.70 3juj h ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3juj h ALA 84 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3juj h ALA 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3juj n LEU 85 N -2.43 4.04 -0.05 0.00 4.77 -1.26 -4.45 117.00 117.61 3juj n LEU 85 Ca 0.04 -2.09 -0.11 0.00 -0.03 0.00 0.00 56.01 53.81 3juj n LEU 85 Cb 0.47 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 3juj n LEU 85 CO 0.34 0.94 0.79 0.50 -1.33 0.00 0.00 177.39 178.62 3juj h LYS 86 N 4.06 0.26 0.03 3.23 3.64 -1.88 0.35 116.57 126.26 3juj h LYS 86 Ca 0.00 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3juj h LYS 86 Cb 1.06 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 3juj h LYS 86 CO 0.05 0.43 -0.17 0.66 -2.27 0.00 0.00 179.45 178.15 3juj h SER 87 N 0.05 -0.48 0.59 4.20 4.64 -1.83 -0.64 113.55 120.08 3juj h SER 87 Ca 0.05 0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 3juj h SER 87 Cb 0.30 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 3juj h SER 87 CO 0.00 -0.23 -0.64 -0.29 -0.87 0.00 0.00 176.83 174.80 3juj h ILE 88 N -0.29 1.45 0.24 0.95 6.09 -1.84 -3.03 117.51 121.08 3juj h ILE 88 Ca 0.04 -2.16 -0.01 0.00 -1.37 0.00 0.00 64.86 61.36 3juj h ILE 88 Cb 0.34 2.16 0.00 0.00 0.47 0.00 0.00 36.82 39.79 3juj h ILE 88 CO -0.14 0.62 -0.12 -0.09 -3.07 0.00 0.00 178.15 175.35 3juj h ARG 89 N 0.03 -0.31 -0.33 2.19 2.43 -0.58 -1.40 114.38 116.40 3juj h ARG 89 Ca -0.01 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3juj h ARG 89 Cb 1.13 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.67 3juj h ARG 89 CO 0.09 -0.14 -0.37 -0.97 -1.51 0.00 0.00 179.97 177.07 3juj h ASN 90 N -0.42 -1.20 0.02 -3.80 -0.00 -1.12 -0.19 115.58 108.88 3juj h ASN 90 Ca -0.03 0.19 0.02 0.00 -0.00 0.00 0.00 56.30 56.48 3juj h ASN 90 Cb 0.32 0.53 -0.05 0.00 -0.00 0.00 0.00 38.32 39.12 3juj h ASN 90 CO 0.05 -0.35 -0.48 0.40 -0.00 0.00 0.00 177.43 177.05 3juj h ILE 91 N -0.32 0.08 -0.90 2.57 2.04 -1.39 -1.14 117.51 118.44 3juj h ILE 91 Ca 0.14 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.19 3juj h ILE 91 Cb 0.56 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 3juj h ILE 91 CO -0.51 0.00 0.59 0.40 0.00 0.00 0.00 178.15 178.63 3juj h ILE 92 N -0.64 0.72 0.00 -0.67 2.04 -0.75 -0.72 117.51 117.49 3juj h ILE 92 Ca 0.03 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3juj h ILE 92 Cb 0.70 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3juj h ILE 92 CO -0.33 0.09 -0.18 1.05 0.00 0.00 0.00 178.15 178.78 3juj h GLU 93 N 0.49 0.00 -0.11 2.37 4.11 -0.07 -3.32 114.58 118.04 3juj h GLU 93 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 3juj h GLU 93 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3juj h GLU 93 CO -0.20 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.51 3juj n LYS 94 N -2.76 2.46 -4.03 1.06 5.02 -0.40 -5.03 118.16 114.47 3juj n LYS 94 Ca 0.04 -2.16 -0.12 0.00 -2.02 0.00 0.00 58.31 54.05 3juj n LYS 94 Cb 0.50 -1.35 -0.11 0.00 -0.02 0.00 0.00 35.03 34.05 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 -0.76 2.29 0.10 0.00 0.40 -1.26 -0.29 117.98 118.46 3juj s PHE 97 Ca 0.12 -1.31 0.09 0.00 -0.60 0.00 0.00 56.93 55.23 3juj s PHE 97 Cb -0.12 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 3juj s PHE 97 CO 0.02 -0.70 -0.22 -1.54 0.70 0.00 0.00 175.22 173.48 3juj s SER 98 N 1.45 3.58 -0.01 1.36 1.04 -0.79 -4.99 113.70 115.34 3juj s SER 98 Ca 0.05 -0.60 0.05 0.00 0.48 0.00 0.00 55.95 55.92 3juj s SER 98 Cb -0.13 -0.41 -0.01 0.00 0.10 0.00 0.00 66.02 65.57 3juj s SER 98 CO -0.11 0.21 -0.15 -0.31 0.98 0.00 0.00 173.24 173.85 3juj s TYR 99 N -1.03 1.35 -0.05 5.02 1.51 -1.26 -1.18 117.35 121.72 3juj s TYR 99 Ca 0.15 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 3juj s TYR 99 Cb -0.10 -0.87 0.00 0.00 -0.11 0.00 0.00 41.96 40.89 3juj s TYR 99 CO 0.07 -0.02 -0.15 0.54 -1.11 0.00 0.00 175.55 174.88 3juj s VAL 100 N -0.38 1.27 -0.27 0.71 0.11 -0.79 -4.98 120.40 116.08 3juj s VAL 100 Ca 0.06 -0.60 -0.21 0.00 -2.93 0.00 0.00 61.98 58.29 3juj s VAL 100 Cb -0.06 -1.12 -0.01 0.00 -1.53 0.00 0.00 36.38 33.66 3juj s VAL 100 CO -0.00 0.38 0.67 -0.60 -3.33 0.00 0.00 175.10 172.22 3juj s ARG 101 N 0.29 4.05 -0.24 1.54 6.06 -1.26 -1.25 118.95 128.14 3juj s ARG 101 Ca -0.08 0.55 -0.19 0.00 -2.50 0.00 0.00 55.73 53.51 3juj s ARG 101 Cb -0.13 -3.68 -0.03 0.00 0.06 0.00 0.00 34.95 31.18 3juj s ARG 101 CO 0.03 -0.49 0.55 -1.14 -2.50 0.00 0.00 175.30 171.74 3juj s GLN 102 N 2.63 4.12 0.08 5.12 0.74 -0.11 -4.95 119.66 127.28 3juj s GLN 102 Ca 0.28 0.42 -0.31 0.00 0.05 0.00 0.00 55.36 55.80 3juj s GLN 102 Cb -0.15 -3.62 -0.18 0.00 1.10 0.00 0.00 33.01 30.16 3juj s GLN 102 CO 0.10 -0.30 1.65 1.57 -0.55 0.00 0.00 175.29 177.75 3juj h LYS 103 N 7.80 -0.71 -4.41 1.67 5.09 -1.96 -3.43 116.57 120.62 3juj h LYS 103 Ca -0.30 0.05 -0.38 0.00 0.09 0.00 0.00 60.65 60.11 3juj h LYS 103 Cb 1.14 0.16 -0.30 0.00 0.10 0.00 0.00 32.23 33.33 3juj h LYS 103 CO 0.74 -0.47 -0.77 -0.65 -2.09 0.00 0.00 179.45 176.21 3juj s GLN 104 N -6.08 0.69 -0.57 0.07 1.11 -1.26 -5.00 119.66 108.61 3juj s GLN 104 Ca -0.17 -0.22 -0.27 0.00 0.01 0.00 0.00 55.36 54.70 3juj s GLN 104 Cb 0.04 -0.67 0.00 0.00 -1.01 0.00 0.00 33.01 31.37 3juj s GLN 104 CO 0.63 0.09 1.59 1.41 0.01 0.00 0.00 175.29 179.02 3juj s MET 105 N 0.14 3.07 -0.25 2.91 1.75 -1.26 -4.81 119.30 120.84 3juj s MET 105 Ca -0.02 0.53 0.10 0.00 -1.25 0.00 0.00 55.69 55.05 3juj s MET 105 Cb -0.06 -4.23 0.45 0.00 2.84 0.00 0.00 34.83 33.83 3juj s MET 105 CO -0.00 -2.22 1.20 1.63 -0.65 0.00 0.00 175.02 174.98 3juj n LYS 106 N 8.90 2.69 0.00 4.11 5.02 -1.26 -5.06 118.16 132.56 3juj n LYS 106 Ca 0.15 -3.77 0.00 0.00 -2.02 0.00 0.00 58.31 52.67 3juj n LYS 106 Cb 0.50 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 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 -0.83 0.14 0.20 0.72 0.00 -1.26 -4.26 105.19 99.90 3juj n GLY 107 Ca 0.32 -1.94 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 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 0.44 0.86 0.99 5.85 -1.99 -2.16 115.31 119.29 3juj h LEU 108 Ca 0.00 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 3juj h LEU 108 Cb 0.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3juj h LEU 108 CO 0.00 0.85 -0.46 1.23 -0.34 0.00 0.00 178.44 179.72 3juj h GLY 109 N 1.19 -1.30 0.21 3.75 0.00 -1.80 -1.00 103.07 104.13 3juj h GLY 109 Ca 0.02 0.51 0.07 0.00 0.00 0.00 0.00 47.33 47.92 3juj h GLY 109 CO 0.08 -0.46 -0.16 0.84 0.00 0.00 0.00 176.54 176.84 3juj h HIS 110 N -1.22 -0.39 -0.60 5.60 -0.00 -1.60 -0.61 115.15 116.34 3juj h HIS 110 Ca -0.12 0.04 0.10 0.00 -0.00 0.00 0.00 60.37 60.39 3juj h HIS 110 Cb 0.95 0.22 -0.11 0.00 -0.00 0.00 0.00 27.41 28.47 3juj h HIS 110 CO -0.05 -0.23 -0.34 0.00 -0.00 0.00 0.00 177.93 177.31 3juj h ALA 111 N 1.12 -0.05 -0.79 5.26 0.00 -1.18 0.36 119.26 123.98 3juj h ALA 111 Ca 0.16 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3juj h ALA 111 Cb 0.36 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3juj h ALA 111 CO -0.38 -0.68 0.43 0.82 0.00 0.00 0.00 179.25 179.44 3juj h ILE 112 N -0.16 1.24 0.10 0.00 2.04 -0.62 -1.44 117.51 118.66 3juj h ILE 112 Ca 0.23 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.52 3juj h ILE 112 Cb 0.55 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3juj h ILE 112 CO -0.68 0.26 -0.21 -0.07 0.00 0.00 0.00 178.15 177.45 3juj h LEU 113 N 1.10 -0.59 -0.77 1.44 3.38 0.88 -1.84 115.31 118.90 3juj h LEU 113 Ca 0.28 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.48 3juj h LEU 113 Cb 0.04 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.91 3juj h LEU 113 CO -0.04 -0.29 0.26 0.74 0.09 0.00 0.00 178.44 179.19 3juj h THR 114 N -0.39 0.55 0.00 0.22 2.02 0.03 0.28 112.91 115.62 3juj h THR 114 Ca 0.03 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3juj h THR 114 Cb 0.42 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3juj h THR 114 CO -0.13 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.44 3juj n GLY 115 N -1.34 -0.40 0.31 2.16 0.00 -0.59 -2.56 105.19 102.77 3juj n GLY 115 Ca 0.16 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 0.06 0.00 1.61 4.81 -0.28 -0.08 114.58 120.70 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 0.04 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3juj h GLU 116 CO 0.00 0.04 0.00 0.00 -0.73 0.00 0.00 179.01 178.32 3juj n ALA 117 N -2.57 1.45 -0.05 2.92 0.00 -1.06 -1.66 120.51 119.54 3juj n ALA 117 Ca 0.02 0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 3juj n ALA 117 Cb 0.27 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.20 0.08 -0.05 0.00 4.77 -0.11 -4.75 117.00 114.74 3juj n LEU 118 Ca 0.01 -0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 3juj n LEU 118 Cb 0.16 0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 3juj n LEU 118 CO 0.16 0.25 -0.34 0.40 -1.33 0.00 0.00 177.39 176.53 3juj h ILE 119 N 0.00 1.10 0.00 -0.08 5.03 -1.32 -3.50 117.51 118.75 3juj h ILE 119 Ca -0.26 -2.30 0.00 0.00 -0.12 0.00 0.00 64.86 62.17 3juj h ILE 119 Cb 1.59 2.63 0.00 0.00 -3.03 0.00 0.00 36.82 38.02 3juj h ILE 119 CO 0.01 0.55 0.00 0.61 -0.68 0.00 0.00 178.15 178.64 3juj n GLY 120 N 1.61 -2.11 3.52 5.37 0.00 -0.66 -4.53 105.19 108.38 3juj n GLY 120 Ca -0.25 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.74 6.83 -0.01 1.61 3.84 -1.26 -4.89 114.94 117.32 3juj s ASN 121 Ca 0.00 -2.40 -0.28 0.00 0.21 0.00 0.00 52.86 50.38 3juj s ASN 121 Cb 0.00 -2.49 0.10 0.00 -0.55 0.00 0.00 41.25 38.31 3juj s ASN 121 CO 0.00 -1.07 0.82 -1.83 -2.79 0.00 0.00 177.10 172.23 3juj s GLU 122 N 3.22 0.90 0.53 0.43 -1.05 -1.26 -4.99 118.70 116.48 3juj s GLU 122 Ca 0.46 -0.14 -0.22 0.00 -0.15 0.00 0.00 54.97 54.92 3juj s GLU 122 Cb -0.00 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 34.05 3juj s GLU 122 CO -0.00 -0.35 1.30 -1.25 0.95 0.00 0.00 175.26 175.90 3juj s PRO 123 N -2.48 3.27 0.10 -4.83 0.04 -1.26 -4.19 135.00 125.65 3juj s PRO 123 Ca 0.00 2.09 -0.13 0.00 0.04 0.00 0.00 61.00 63.00 3juj s PRO 123 Cb -0.01 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.29 3juj s PRO 123 CO -0.04 -1.04 0.31 -0.59 0.04 0.00 0.00 177.00 175.67 3juj s PHE 124 N -1.38 -0.05 0.43 0.56 -0.12 -0.47 -4.58 117.98 112.36 3juj s PHE 124 Ca 0.70 -0.28 0.04 0.00 -0.05 0.00 0.00 56.93 57.34 3juj s PHE 124 Cb -0.37 0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.14 3juj s PHE 124 CO 0.43 -0.61 0.61 0.00 -0.05 0.00 0.00 175.22 175.60 3juj s ALA 125 N -3.65 4.07 -0.10 1.99 0.00 -0.93 0.18 121.76 123.32 3juj s ALA 125 Ca 0.03 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 3juj s ALA 125 Cb 0.03 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.30 3juj s ALA 125 CO -0.10 -0.33 0.24 0.08 0.00 0.00 0.00 175.76 175.64 3juj s VAL 126 N -2.44 -0.03 -0.07 0.00 1.01 0.16 -0.22 120.40 118.80 3juj s VAL 126 Ca 0.50 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3juj s VAL 126 Cb -0.10 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.94 3juj s VAL 126 CO 0.35 0.05 -0.06 -0.63 0.00 0.00 0.00 175.10 174.81 3juj s ILE 127 N 1.07 0.73 -0.48 2.22 1.01 -0.76 -1.31 121.20 123.68 3juj s ILE 127 Ca -0.08 -0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.22 3juj s ILE 127 Cb -0.09 -0.75 0.06 0.00 0.01 0.00 0.00 42.46 41.68 3juj s ILE 127 CO -0.07 0.29 0.48 -0.76 0.00 0.00 0.00 174.94 174.88 3juj s LEU 128 N 1.25 5.25 0.55 2.97 1.43 -0.48 -4.24 118.68 125.42 3juj s LEU 128 Ca -0.05 -1.07 0.32 0.00 -1.03 0.00 0.00 54.13 52.30 3juj s LEU 128 Cb -0.14 -2.31 1.48 0.00 0.03 0.00 0.00 46.19 45.25 3juj s LEU 128 CO -0.02 -0.72 1.86 0.00 0.23 0.00 0.00 176.35 177.70 3juj h ALA 129 N 8.84 2.78 -0.08 4.21 0.00 -1.88 0.12 119.26 133.25 3juj h ALA 129 Ca -0.28 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.63 3juj h ALA 129 Cb 1.10 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3juj h ALA 129 CO 0.89 -1.12 0.11 -0.44 0.00 0.00 0.00 179.25 178.70 3juj h ASP 130 N 0.00 0.00 -3.63 0.00 3.32 -1.92 -3.31 116.42 110.88 3juj h ASP 130 Ca 0.41 0.00 -0.78 0.00 0.02 0.00 0.00 57.03 56.69 3juj h ASP 130 Cb 1.74 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 41.04 3juj h ASP 130 CO -0.00 0.00 0.15 -1.81 -1.72 0.00 0.00 179.24 175.86 3juj s ASP 131 N -5.71 6.71 -0.28 6.45 1.01 0.43 0.04 116.67 125.32 3juj s ASP 131 Ca -0.05 -2.56 -0.29 0.00 0.71 0.00 0.00 52.55 50.36 3juj s ASP 131 Cb 0.14 -2.23 0.01 0.00 1.01 0.00 0.00 42.92 41.86 3juj s ASP 131 CO 0.51 -0.64 1.11 -0.22 0.21 0.00 0.00 175.17 176.13 3juj s LEU 132 N 0.52 3.99 -0.11 1.23 2.96 -0.33 -4.86 118.68 122.08 3juj s LEU 132 Ca 0.18 1.20 0.02 0.00 -0.22 0.00 0.00 54.13 55.31 3juj s LEU 132 Cb -0.11 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 3juj s LEU 132 CO -0.08 -0.84 -0.16 0.00 -1.32 0.00 0.00 176.35 173.95 3juj s ILE 134 N 0.15 0.88 -0.15 0.00 -1.16 0.54 -4.89 121.20 116.57 3juj s ILE 134 Ca -0.09 -0.72 0.02 0.00 -0.51 0.00 0.00 60.65 59.35 3juj s ILE 134 Cb -0.15 -0.78 0.01 0.00 0.61 0.00 0.00 42.46 42.14 3juj s ILE 134 CO 0.05 0.07 -0.20 -0.94 -2.81 0.00 0.00 174.94 171.11 3juj s SER 135 N -0.74 3.24 -0.83 4.50 1.04 -1.26 0.12 113.70 119.77 3juj s SER 135 Ca 0.01 -0.58 -0.25 0.00 0.48 0.00 0.00 55.95 55.62 3juj s SER 135 Cb -0.06 -1.48 -0.16 0.00 0.10 0.00 0.00 66.02 64.42 3juj s SER 135 CO 0.00 0.07 2.36 0.00 0.98 0.00 0.00 173.24 176.65 3juj n HIS 136 N 4.15 1.05 -4.07 5.02 1.44 -1.26 -3.34 115.22 118.22 3juj n HIS 136 Ca -0.20 -0.03 -0.45 0.00 -2.01 0.00 0.00 57.72 55.02 3juj n HIS 136 Cb 0.51 -2.47 0.02 0.00 0.12 0.00 0.00 29.99 28.16 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 18.00 -3.91 -4.07 4.39 5.75 -1.26 -4.98 116.55 130.48 3juj n ASP 137 Ca 0.47 -1.29 -0.07 0.00 -0.01 0.00 0.00 54.79 53.89 3juj n ASP 137 Cb 0.42 -1.76 -0.10 0.00 -1.03 0.00 0.00 41.12 38.64 3juj n ASP 137 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3juj s HIS 138 N -3.57 0.46 0.51 2.11 3.76 -1.21 -5.13 115.29 112.21 3juj s HIS 138 Ca 0.47 -0.95 -0.23 0.00 -0.15 0.00 0.00 55.06 54.20 3juj s HIS 138 Cb -0.25 -0.35 -0.06 0.00 1.11 0.00 0.00 32.58 33.03 3juj s HIS 138 CO 0.97 -0.34 1.31 -1.25 -0.85 0.00 0.00 174.74 174.58 3juj s PRO 139 N -3.39 3.38 0.49 8.40 0.04 -1.26 -4.74 135.00 137.92 3juj s PRO 139 Ca 0.02 2.13 -0.20 0.00 0.04 0.00 0.00 61.00 62.99 3juj s PRO 139 Cb 0.04 -2.35 -0.11 0.00 0.04 0.00 0.00 34.50 32.12 3juj s PRO 139 CO -0.08 -0.96 0.46 -1.13 0.04 0.00 0.00 177.00 175.33 3juj n SER 140 N -0.76 -1.27 -0.17 6.66 3.41 -1.26 -4.48 113.62 115.75 3juj n SER 140 Ca 0.09 0.81 -0.02 0.00 -0.26 0.00 0.00 58.87 59.49 3juj n SER 140 Cb 0.45 -1.11 0.06 0.00 -0.26 0.00 0.00 64.21 63.36 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 0.49 0.56 0.00 -3.33 2.07 -1.90 0.22 116.25 114.37 3juj h VAL 141 Ca -0.43 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3juj h VAL 141 Cb 1.40 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3juj h VAL 141 CO 0.49 0.02 -0.05 0.25 0.02 0.00 0.00 177.57 178.29 3juj h LEU 142 N 0.09 0.00 0.14 2.57 7.12 -1.88 -2.15 115.31 121.19 3juj h LEU 142 Ca 0.26 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 58.05 3juj h LEU 142 Cb 0.40 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.55 3juj h LEU 142 CO -0.46 0.05 -0.94 0.50 -0.13 0.00 0.00 178.44 177.46 3juj h LYS 143 N 0.00 0.38 -0.42 1.25 3.64 -0.92 -2.41 116.57 118.09 3juj h LYS 143 Ca -0.00 -0.60 0.12 0.00 -1.27 0.00 0.00 60.65 58.90 3juj h LYS 143 Cb 0.25 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3juj h LYS 143 CO 0.01 1.27 0.39 1.96 -2.27 0.00 0.00 179.45 180.81 3juj h GLN 144 N -0.20 0.00 0.13 1.90 4.20 -0.33 -1.76 115.11 119.06 3juj h GLN 144 Ca -0.16 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.23 3juj h GLN 144 Cb 1.72 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.49 3juj h GLN 144 CO 0.18 0.00 -1.67 0.52 -0.67 0.00 0.00 178.83 177.19 3juj h MET 145 N 0.00 0.29 -0.21 1.46 2.86 -1.38 -2.79 114.93 115.16 3juj h MET 145 Ca 0.20 -0.49 -0.10 0.00 -2.06 0.00 0.00 59.70 57.25 3juj h MET 145 Cb 0.97 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 3juj h MET 145 CO -0.00 1.15 -0.29 1.79 1.06 0.00 0.00 176.91 180.62 3juj h THR 146 N 0.08 1.27 0.53 2.22 1.35 -0.83 0.19 112.91 117.72 3juj h THR 146 Ca -0.30 -1.32 -0.03 0.00 -0.55 0.00 0.00 66.41 64.21 3juj h THR 146 Cb 2.05 1.43 0.01 0.00 -1.73 0.00 0.00 68.15 69.90 3juj h THR 146 CO 0.15 0.41 -0.26 -1.28 -0.25 0.00 0.00 175.52 174.30 3juj h SER 147 N 0.37 -0.61 -0.89 5.36 0.87 -1.48 -1.75 113.55 115.42 3juj h SER 147 Ca 0.05 -0.06 0.23 0.00 -1.23 0.00 0.00 61.79 60.78 3juj h SER 147 Cb 0.70 0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.76 3juj h SER 147 CO 0.05 -0.26 0.61 0.25 -0.53 0.00 0.00 176.83 176.95 3juj h LEU 148 N -0.99 0.25 -0.27 2.23 7.12 -1.30 0.74 115.31 123.09 3juj h LEU 148 Ca -0.07 0.03 -0.07 0.00 0.13 0.00 0.00 57.88 57.90 3juj h LEU 148 Cb 0.63 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.73 3juj h LEU 148 CO 0.12 0.09 -0.10 0.22 -0.13 0.00 0.00 178.44 178.65 3juj h TYR 149 N 0.25 0.61 -1.04 1.25 3.20 -0.38 -2.06 116.97 118.79 3juj h TYR 149 Ca 0.45 -0.14 0.39 0.00 3.14 0.00 0.00 58.73 62.57 3juj h TYR 149 Cb 1.37 -0.15 -0.16 0.00 1.54 0.00 0.00 36.73 39.34 3juj h TYR 149 CO -0.00 0.77 0.59 0.37 -1.64 0.00 0.00 178.16 178.25 3juj h GLN 150 N 0.28 0.12 0.00 1.82 5.75 0.07 0.22 115.11 123.37 3juj h GLN 150 Ca 0.06 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3juj h GLN 150 Cb 0.59 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.11 3juj h GLN 150 CO 0.03 0.08 -0.14 -0.22 -2.65 0.00 0.00 178.83 175.93 3juj h LYS 151 N 0.12 0.00 0.00 1.69 3.64 -1.52 -3.38 116.57 117.12 3juj h LYS 151 Ca 0.81 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.19 3juj h LYS 151 Cb 2.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 3juj h LYS 151 CO -0.67 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.17 3juj n TYR 152 N -4.50 0.00 -3.87 1.91 4.01 -0.79 -4.91 117.16 109.00 3juj n TYR 152 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.45 3juj n TYR 152 Cb 0.07 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 38.65 3juj n TYR 152 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3juj n GLN 153 N -1.44 -0.67 -3.81 -0.72 1.13 0.72 -4.88 117.38 107.71 3juj n GLN 153 Ca 0.05 -0.06 -0.05 0.00 -1.94 0.00 0.00 57.00 55.00 3juj n GLN 153 Cb 0.16 -1.76 -0.00 0.00 0.11 0.00 0.00 30.24 28.74 3juj n GLN 153 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3juj n SER 155 N -0.76 3.62 -3.92 0.00 7.64 -1.26 -4.84 113.62 114.11 3juj n SER 155 Ca -0.05 1.18 -0.28 0.00 1.01 0.00 0.00 58.87 60.72 3juj n SER 155 Cb 0.60 -1.57 -0.16 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 -0.44 1.20 -0.30 0.44 1.01 0.13 -1.37 121.20 121.86 3juj s ILE 156 Ca 0.60 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 3juj s ILE 156 Cb -0.51 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 40.65 3juj s ILE 156 CO 0.54 0.20 0.10 0.54 0.00 0.00 0.00 174.94 176.33 3juj s VAL 157 N 1.61 4.18 0.40 2.92 0.11 0.07 -2.09 120.40 127.59 3juj s VAL 157 Ca 0.02 -0.60 -0.27 0.00 -2.93 0.00 0.00 61.98 58.20 3juj s VAL 157 Cb -0.15 -3.14 -0.09 0.00 -1.53 0.00 0.00 36.38 31.47 3juj s VAL 157 CO -0.08 0.08 1.36 0.00 -3.33 0.00 0.00 175.10 173.13 3juj s ALA 158 N 1.54 3.34 0.15 1.54 0.00 -0.89 -2.19 121.76 125.25 3juj s ALA 158 Ca 0.03 1.35 0.04 0.00 0.00 0.00 0.00 51.96 53.38 3juj s ALA 158 Cb -0.17 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 3juj s ALA 158 CO 0.04 -0.92 -0.09 0.96 0.00 0.00 0.00 175.76 175.75 3juj s ILE 159 N -1.21 1.11 -0.01 0.00 -4.36 0.12 -1.15 121.20 115.71 3juj s ILE 159 Ca 0.56 -2.05 -0.02 0.00 -0.26 0.00 0.00 60.65 58.88 3juj s ILE 159 Cb -0.41 -1.87 -0.00 0.00 1.25 0.00 0.00 42.46 41.43 3juj s ILE 159 CO 0.54 -0.72 0.04 -0.70 0.24 0.00 0.00 174.94 174.34 3juj s GLU 160 N -3.77 0.15 -0.13 0.37 2.12 0.21 -3.61 118.70 114.05 3juj s GLU 160 Ca 0.17 -0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.11 3juj s GLU 160 Cb 0.03 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.46 3juj s GLU 160 CO 0.01 -0.03 1.26 -1.21 -0.54 0.00 0.00 175.26 174.75 3juj s GLU 161 N -0.39 4.26 0.30 4.30 2.02 -1.26 -0.93 118.70 127.00 3juj s GLU 161 Ca -0.04 1.68 0.07 0.00 0.02 0.00 0.00 54.97 56.69 3juj s GLU 161 Cb -0.03 -3.71 -0.06 0.00 0.10 0.00 0.00 34.13 30.43 3juj s GLU 161 CO -0.00 -0.64 -0.05 0.14 0.02 0.00 0.00 175.26 174.74 3juj s VAL 162 N 3.14 1.69 0.62 2.63 -7.23 0.13 -4.96 120.40 116.42 3juj s VAL 162 Ca 0.55 -2.12 -0.18 0.00 -1.81 0.00 0.00 61.98 58.43 3juj s VAL 162 Cb -0.23 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 3juj s VAL 162 CO 0.17 -0.24 1.22 0.00 -0.31 0.00 0.00 175.10 175.94 3juj s ALA 163 N -2.98 2.47 0.49 1.32 0.00 -1.26 -4.76 121.76 117.04 3juj s ALA 163 Ca 0.31 1.03 0.30 0.00 0.00 0.00 0.00 51.96 53.59 3juj s ALA 163 Cb 0.04 -3.47 1.66 0.00 0.00 0.00 0.00 23.12 21.35 3juj s ALA 163 CO 0.13 -1.31 2.16 1.25 0.00 0.00 0.00 175.76 177.99 3juj h LEU 164 N 0.69 0.00 -0.62 0.00 7.12 -1.97 -1.97 115.31 118.57 3juj h LEU 164 Ca -0.50 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.36 3juj h LEU 164 Cb 1.30 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.42 3juj h LEU 164 CO 0.54 0.06 -0.57 1.05 -0.13 0.00 0.00 178.44 179.39 3juj h GLU 165 N 0.00 0.36 0.00 1.25 4.11 -1.97 -3.14 114.58 115.19 3juj h GLU 165 Ca -0.00 -0.23 -0.05 0.00 0.07 0.00 0.00 59.36 59.15 3juj h GLU 165 Cb 0.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3juj h GLU 165 CO 0.01 0.83 -0.24 0.93 0.07 0.00 0.00 179.01 180.61 3juj h GLU 166 N 0.27 0.00 -0.90 1.06 4.39 -1.71 -3.25 114.58 114.44 3juj h GLU 166 Ca 0.00 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.87 3juj h GLU 166 Cb 1.08 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.57 3juj h GLU 166 CO 0.10 0.24 -0.26 0.28 -1.16 0.00 0.00 179.01 178.21 3juj h VAL 167 N 0.00 0.09 0.00 3.13 2.07 -1.56 -1.58 116.25 118.39 3juj h VAL 167 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3juj h VAL 167 Cb 0.45 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3juj h VAL 167 CO 0.03 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.08 3juj n SER 168 N -5.55 0.00 -0.35 0.57 3.41 -1.23 -1.57 113.62 108.90 3juj n SER 168 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3juj n SER 168 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3juj n SER 168 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3juj n LYS 169 N -0.63 0.00 -4.29 4.33 2.85 -0.59 -4.66 118.16 115.16 3juj n LYS 169 Ca 0.00 -0.85 -0.16 0.00 -1.05 0.00 0.00 58.31 56.26 3juj n LYS 169 Cb 0.00 -0.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.78 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 0.00 1.46 -0.08 5.58 1.51 -0.61 -4.87 117.35 120.35 3juj s TYR 170 Ca 0.00 -1.21 -0.21 0.00 -1.01 0.00 0.00 57.07 54.63 3juj s TYR 170 Cb 0.00 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 3juj s TYR 170 CO 0.00 -0.39 0.62 0.20 -1.11 0.00 0.00 175.55 174.87 3juj s GLY 171 N -3.28 2.55 0.00 0.71 0.00 -1.26 -1.22 107.32 104.82 3juj s GLY 171 Ca 0.38 0.02 0.03 0.00 0.00 0.00 0.00 44.72 45.15 3juj s GLY 171 CO 0.13 1.00 -0.06 0.14 0.00 0.00 0.00 173.10 174.31 3juj s VAL 172 N 0.62 3.68 0.52 1.40 1.01 -0.63 0.13 120.40 127.13 3juj s VAL 172 Ca 0.33 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3juj s VAL 172 Cb -0.17 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.63 3juj s VAL 172 CO 0.15 0.39 0.75 -0.63 0.00 0.00 0.00 175.10 175.77 3juj s ILE 173 N -1.01 3.20 -0.33 2.22 1.09 0.17 -2.41 121.20 124.14 3juj s ILE 173 Ca 0.17 -0.55 0.03 0.00 -1.10 0.00 0.00 60.65 59.21 3juj s ILE 173 Cb -0.11 -3.20 0.19 0.00 -1.06 0.00 0.00 42.46 38.28 3juj s ILE 173 CO 0.08 -0.15 0.69 -0.60 -0.10 0.00 0.00 174.94 174.86 3juj s ARG 174 N -4.72 0.55 0.17 2.79 3.00 -1.17 -4.10 118.95 115.47 3juj s ARG 174 Ca 0.54 0.23 -0.01 0.00 -1.00 0.00 0.00 55.73 55.49 3juj s ARG 174 Cb -0.10 0.17 -0.04 0.00 0.00 0.00 0.00 34.95 34.98 3juj s ARG 174 CO 0.39 -0.93 0.10 0.20 0.00 0.00 0.00 175.30 175.06 3juj s GLY 175 N 2.52 1.24 -0.20 8.12 0.00 -1.26 -1.32 107.32 116.43 3juj s GLY 175 Ca 0.14 -1.60 -0.29 0.00 0.00 0.00 0.00 44.72 42.97 3juj s GLY 175 CO -0.20 -1.38 1.09 -0.54 0.00 0.00 0.00 173.10 172.07 3juj s GLU 176 N -4.11 4.28 0.32 2.90 2.02 0.28 -4.75 118.70 119.63 3juj s GLU 176 Ca 0.33 1.44 -0.29 0.00 0.02 0.00 0.00 54.97 56.46 3juj s GLU 176 Cb 0.07 -3.65 -0.11 0.00 0.10 0.00 0.00 34.13 30.54 3juj s GLU 176 CO 0.08 -0.60 1.56 -0.46 0.02 0.00 0.00 175.26 175.86 3juj s TRP 177 N 3.08 2.69 0.00 1.61 -0.00 -1.26 -1.26 118.94 123.80 3juj s TRP 177 Ca 0.47 0.90 0.00 0.00 -0.00 0.00 0.00 56.10 57.47 3juj s TRP 177 Cb -0.17 -4.06 0.00 0.00 -0.00 0.00 0.00 33.47 29.24 3juj s TRP 177 CO 0.10 -3.43 0.00 1.28 -0.00 0.00 0.00 176.95 174.90 3juj n LEU 178 N 1.63 2.50 0.00 5.86 4.32 -0.44 -4.88 117.00 125.99 3juj n LEU 178 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 3juj n LEU 178 Cb 0.38 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 3juj n LEU 178 CO 0.64 0.41 0.00 1.21 -1.22 0.00 0.00 177.39 178.43 3juj n GLU 179 N -2.48 0.00 -1.78 3.23 2.13 -1.11 -4.99 120.64 115.63 3juj n GLU 179 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 3juj n GLU 179 Cb 0.46 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.14 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 1.67 2.45 -1.32 5.31 2.56 -1.26 -3.13 118.70 124.98 3juj s GLU 180 Ca 0.00 1.13 -0.10 0.00 0.00 0.00 0.00 54.97 56.00 3juj s GLU 180 Cb 0.00 -4.47 0.08 0.00 2.00 0.00 0.00 34.13 31.74 3juj s GLU 180 CO 0.00 -2.90 0.52 0.41 -0.56 0.00 0.00 175.26 172.74 3juj n GLY 181 N 5.83 -0.48 3.22 -1.50 0.00 -1.26 -4.86 105.19 106.13 3juj n GLY 181 Ca 0.29 0.10 -0.28 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 -2.97 1.71 0.04 1.61 1.01 -1.18 -0.94 120.40 119.67 3juj s VAL 182 Ca 0.42 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3juj s VAL 182 Cb -0.22 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 3juj s VAL 182 CO 0.52 0.48 -0.04 -0.31 0.00 0.00 0.00 175.10 175.76 3juj s TYR 183 N -0.32 0.43 -0.16 5.22 1.51 -0.75 -1.32 117.35 121.96 3juj s TYR 183 Ca 0.03 -0.72 -0.14 0.00 -1.01 0.00 0.00 57.07 55.23 3juj s TYR 183 Cb -0.10 -0.30 -0.05 0.00 -0.11 0.00 0.00 41.96 41.40 3juj s TYR 183 CO 0.01 -0.24 0.29 -2.00 -1.11 0.00 0.00 175.55 172.50 3juj s GLU 184 N -2.41 4.26 -0.21 -0.62 2.12 -0.39 -1.45 118.70 120.00 3juj s GLU 184 Ca -0.06 0.09 -0.29 0.00 0.36 0.00 0.00 54.97 55.07 3juj s GLU 184 Cb -0.03 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3juj s GLU 184 CO -0.04 0.24 1.09 0.42 -0.54 0.00 0.00 175.26 176.43 3juj s ILE 185 N 0.47 4.58 -0.85 -3.70 1.01 -0.70 -0.56 121.20 121.45 3juj s ILE 185 Ca 0.16 1.91 0.22 0.00 0.00 0.00 0.00 60.65 62.95 3juj s ILE 185 Cb -0.13 -4.23 -0.19 0.00 0.01 0.00 0.00 42.46 37.92 3juj s ILE 185 CO 0.04 -0.17 0.95 0.29 0.00 0.00 0.00 174.94 176.05 3juj n LYS 186 N 6.37 0.10 0.00 2.79 4.76 -0.43 -4.79 118.16 126.96 3juj n LYS 186 Ca 0.12 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 3juj n LYS 186 Cb 0.46 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 3juj n LYS 186 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3juj n ASP 187 N -1.64 0.00 -3.86 4.39 4.64 -1.08 -4.98 116.55 114.02 3juj n ASP 187 Ca 0.03 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.32 3juj n ASP 187 Cb 0.37 0.00 -0.13 0.00 -1.04 0.00 0.00 41.12 40.32 3juj n ASP 187 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 3juj s MET 188 N -2.00 0.12 -0.03 -0.67 -1.94 -1.26 -3.02 119.30 110.50 3juj s MET 188 Ca 0.00 0.00 0.01 0.00 -1.71 0.00 0.00 55.69 53.99 3juj s MET 188 Cb 0.00 0.05 0.02 0.00 2.01 0.00 0.00 34.83 36.91 3juj s MET 188 CO 0.00 -0.02 -0.03 0.54 -0.01 0.00 0.00 175.02 175.50 3juj s VAL 189 N -0.17 0.40 -0.04 -6.03 0.11 -1.01 -4.97 120.40 108.68 3juj s VAL 189 Ca -0.02 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.67 3juj s VAL 189 Cb -0.02 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 3juj s VAL 189 CO 0.00 0.18 0.94 -0.70 -3.33 0.00 0.00 175.10 172.20 3juj s GLU 190 N 0.80 4.50 -0.87 1.54 2.56 -1.26 -1.61 118.70 124.36 3juj s GLU 190 Ca -0.10 1.32 -0.14 0.00 0.00 0.00 0.00 54.97 56.06 3juj s GLU 190 Cb -0.13 -3.48 0.02 0.00 2.00 0.00 0.00 34.13 32.54 3juj s GLU 190 CO -0.00 -0.10 0.55 1.63 -0.56 0.00 0.00 175.26 176.78 3juj n LYS 191 N 4.18 -0.89 -1.46 4.30 5.02 -0.35 -4.90 118.16 124.05 3juj n LYS 191 Ca 0.06 0.36 -0.30 0.00 -2.02 0.00 0.00 58.31 56.40 3juj n LYS 191 Cb 0.50 -1.96 0.09 0.00 -0.02 0.00 0.00 35.03 33.64 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 -5.74 2.14 0.32 1.97 0.04 -1.26 -4.80 135.00 127.67 3juj s PRO 192 Ca 0.19 0.80 -0.27 0.00 0.04 0.00 0.00 61.00 61.76 3juj s PRO 192 Cb -0.11 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 3juj s PRO 192 CO 0.82 -1.62 1.04 -0.80 0.04 0.00 0.00 177.00 176.48 3juj s ASN 193 N -3.74 7.15 0.53 6.66 0.01 -1.26 -3.55 114.94 120.75 3juj s ASN 193 Ca 0.61 2.10 0.39 0.00 -0.71 0.00 0.00 52.86 55.25 3juj s ASN 193 Cb -0.15 -2.61 1.56 0.00 0.41 0.00 0.00 41.25 40.47 3juj s ASN 193 CO 0.55 -0.21 1.73 -0.61 -1.51 0.00 0.00 177.10 177.04 3juj h GLN 194 N 3.35 0.03 0.00 -0.60 4.15 -1.95 0.19 115.11 120.28 3juj h GLN 194 Ca -0.47 -0.00 -0.22 0.00 0.77 0.00 0.00 58.65 58.73 3juj h GLN 194 Cb 1.21 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.85 3juj h GLN 194 CO 0.65 0.02 -1.51 1.05 -1.93 0.00 0.00 178.83 177.11 3juj h GLU 195 N 0.04 0.00 0.00 1.69 4.11 -1.95 -3.35 114.58 115.12 3juj h GLU 195 Ca 0.69 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.12 3juj h GLU 195 Cb 2.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.90 3juj h GLU 195 CO -0.06 0.40 -1.08 -0.40 0.07 0.00 0.00 179.01 177.93 3juj n ASP 196 N -2.97 0.60 -4.59 3.06 5.75 -0.28 -4.94 116.55 113.17 3juj n ASP 196 Ca -0.12 -0.18 -0.55 0.00 -0.01 0.00 0.00 54.79 53.92 3juj n ASP 196 Cb 0.93 0.85 -0.07 0.00 -1.03 0.00 0.00 41.12 41.81 3juj n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3juj n ALA 197 N -1.87 -1.59 0.44 2.12 0.00 0.51 -4.83 120.51 115.29 3juj n ALA 197 Ca 0.01 0.52 0.12 0.00 0.00 0.00 0.00 53.44 54.10 3juj n ALA 197 Cb 0.45 -2.00 0.48 0.00 0.00 0.00 0.00 19.45 18.38 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 2.63 0.22 -3.75 0.00 -0.04 -1.26 -4.93 135.00 127.88 3juj n PRO 198 Ca 0.20 0.39 0.03 0.00 -0.04 0.00 0.00 63.50 64.09 3juj n PRO 198 Cb 0.14 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 3juj n PRO 198 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3juj s SER 199 N -4.39 -0.01 -0.16 3.54 1.04 -1.26 -4.88 113.70 107.58 3juj s SER 199 Ca 0.05 -0.08 0.14 0.00 0.48 0.00 0.00 55.95 56.55 3juj s SER 199 Cb 0.10 0.07 0.69 0.00 0.10 0.00 0.00 66.02 66.98 3juj s SER 199 CO 0.44 -0.14 1.57 -0.46 0.98 0.00 0.00 173.24 175.64 3juj n ASN 200 N -0.70 4.80 -4.41 7.02 6.94 -1.26 -4.79 115.26 122.86 3juj n ASN 200 Ca -0.04 -2.63 -0.45 0.00 -0.02 0.00 0.00 54.58 51.44 3juj n ASN 200 Cb 0.62 -0.61 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 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 -2.10 5.47 0.26 -4.53 1.02 -1.26 0.21 118.68 117.74 3juj s LEU 201 Ca 0.47 -2.01 -0.16 0.00 0.02 0.00 0.00 54.13 52.45 3juj s LEU 201 Cb 0.34 -2.34 -0.08 0.00 0.02 0.00 0.00 46.19 44.12 3juj s LEU 201 CO 0.18 -0.99 0.70 0.00 0.02 0.00 0.00 176.35 176.26 3juj s ALA 202 N 2.19 3.40 0.06 4.21 0.00 -0.11 -0.66 121.76 130.85 3juj s ALA 202 Ca 0.24 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 52.02 3juj s ALA 202 Cb -0.11 -2.74 -0.06 0.00 0.00 0.00 0.00 23.12 20.21 3juj s ALA 202 CO -0.05 0.35 0.74 0.08 0.00 0.00 0.00 175.76 176.88 3juj s VAL 203 N -1.73 4.70 0.33 0.00 1.01 0.34 -0.62 120.40 124.43 3juj s VAL 203 Ca 0.48 1.58 0.08 0.00 0.00 0.00 0.00 61.98 64.11 3juj s VAL 203 Cb -0.13 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3juj s VAL 203 CO 0.19 0.40 0.23 -0.63 0.00 0.00 0.00 175.10 175.29 3juj s ILE 204 N -0.26 3.48 -0.01 2.22 1.09 -0.30 -4.49 121.20 122.94 3juj s ILE 204 Ca 0.37 -1.49 -0.02 0.00 -1.10 0.00 0.00 60.65 58.41 3juj s ILE 204 Cb -0.21 -3.14 -0.10 0.00 -1.06 0.00 0.00 42.46 37.95 3juj s ILE 204 CO 0.23 -0.20 1.73 0.61 -0.10 0.00 0.00 174.94 177.20 3juj n GLY 205 N -1.27 1.80 2.68 6.18 0.00 -1.26 -4.65 105.19 108.66 3juj n GLY 205 Ca -0.03 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 2.24 0.14 0.04 1.61 1.81 -1.26 -1.38 118.95 122.16 3juj s ARG 206 Ca 0.26 0.15 0.00 0.00 -1.72 0.00 0.00 55.73 54.42 3juj s ARG 206 Cb 0.12 -1.07 -0.03 0.00 -0.45 0.00 0.00 34.95 33.53 3juj s ARG 206 CO -0.00 -0.44 -0.04 0.71 -0.68 0.00 0.00 175.30 174.85 3juj s TYR 207 N 2.10 0.47 -0.19 -0.53 2.02 -0.43 -2.09 117.35 118.70 3juj s TYR 207 Ca 0.04 -0.75 -0.04 0.00 -0.37 0.00 0.00 57.07 55.95 3juj s TYR 207 Cb -0.13 -0.32 0.06 0.00 -0.40 0.00 0.00 41.96 41.16 3juj s TYR 207 CO -0.05 -0.23 0.06 0.42 -1.57 0.00 0.00 175.55 174.17 3juj s ILE 208 N -2.50 0.32 0.32 2.71 1.01 -0.89 0.37 121.20 122.54 3juj s ILE 208 Ca -0.04 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.24 3juj s ILE 208 Cb -0.02 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 3juj s ILE 208 CO -0.04 -0.25 0.10 -0.76 0.00 0.00 0.00 174.94 173.99 3juj s LEU 209 N 1.95 3.26 0.01 2.97 1.43 0.13 -0.69 118.68 127.74 3juj s LEU 209 Ca 0.00 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 3juj s LEU 209 Cb -0.17 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3juj s LEU 209 CO -0.09 -0.20 0.03 0.42 0.23 0.00 0.00 176.35 176.73 3juj s THR 210 N -2.39 4.32 0.37 5.49 -4.23 -1.26 -1.36 115.64 116.57 3juj s THR 210 Ca 0.36 -0.60 0.22 0.00 -1.18 0.00 0.00 61.69 60.49 3juj s THR 210 Cb -0.04 -2.96 0.36 0.00 1.34 0.00 0.00 72.50 71.21 3juj s THR 210 CO 0.22 0.33 1.52 -2.65 -0.54 0.00 0.00 174.62 173.50 3juj n PRO 211 N 1.20 -0.05 0.18 3.99 -0.02 -1.26 -1.39 135.00 137.64 3juj n PRO 211 Ca -0.13 1.31 0.18 0.00 -2.02 0.00 0.00 63.50 62.84 3juj n PRO 211 Cb 0.53 -2.39 0.81 0.00 -0.02 0.00 0.00 33.50 32.42 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 -0.81 2.55 2.03 -1.95 0.12 116.42 118.36 3juj h ASP 212 Ca 0.83 0.00 0.14 0.00 -0.73 0.00 0.00 57.03 57.26 3juj h ASP 212 Cb 2.27 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 40.71 3juj h ASP 212 CO -0.69 0.00 0.53 -0.29 -1.03 0.00 0.00 179.24 177.76 3juj h ILE 213 N 0.00 0.84 0.29 4.15 6.09 -1.63 -0.39 117.51 126.86 3juj h ILE 213 Ca 0.12 -0.20 -0.00 0.00 -1.37 0.00 0.00 64.86 63.41 3juj h ILE 213 Cb 0.69 0.21 -0.02 0.00 0.47 0.00 0.00 36.82 38.18 3juj h ILE 213 CO -0.00 0.11 -0.26 -0.26 -3.07 0.00 0.00 178.15 174.67 3juj h PHE 214 N 0.58 -0.68 -0.27 2.19 0.05 -0.97 0.29 116.94 118.12 3juj h PHE 214 Ca 0.40 0.00 0.03 0.00 3.82 0.00 0.00 57.97 62.22 3juj h PHE 214 Cb 0.73 0.26 -0.03 0.00 2.00 0.00 0.00 35.95 38.91 3juj h PHE 214 CO -0.00 -0.38 0.09 1.49 -0.18 0.00 0.00 178.31 179.33 3juj h GLU 215 N -0.57 0.21 -0.07 1.51 4.57 -1.42 -2.43 114.58 116.37 3juj h GLU 215 Ca -0.02 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3juj h GLU 215 Cb 0.51 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 3juj h GLU 215 CO -0.03 0.14 -0.26 0.82 -1.18 0.00 0.00 179.01 178.49 3juj h ILE 216 N 0.21 0.39 -0.70 2.32 2.04 -0.73 -2.51 117.51 118.55 3juj h ILE 216 Ca 0.12 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.13 3juj h ILE 216 Cb 0.09 0.39 -0.11 0.00 -0.74 0.00 0.00 36.82 36.46 3juj h ILE 216 CO -0.13 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 178.08 3juj h LEU 217 N -0.36 -0.07 -1.30 1.44 -0.00 -0.04 0.28 115.31 115.26 3juj h LEU 217 Ca 0.08 0.15 -0.05 0.00 -0.00 0.00 0.00 57.88 58.06 3juj h LEU 217 Cb 0.48 0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 3juj h LEU 217 CO -0.28 -0.06 -0.10 0.77 -0.00 0.00 0.00 178.44 178.77 3juj h SER 218 N 0.23 0.33 0.08 -0.43 4.64 -1.03 -2.81 113.55 114.55 3juj h SER 218 Ca 0.38 -0.07 -0.27 0.00 -0.47 0.00 0.00 61.79 61.37 3juj h SER 218 Cb 0.64 -0.09 0.02 0.00 -0.31 0.00 0.00 62.40 62.66 3juj h SER 218 CO -0.51 0.47 -1.07 -0.33 -0.87 0.00 0.00 176.83 174.53 3juj h GLU 219 N 0.33 0.65 -6.16 4.77 5.08 -0.79 -3.46 114.58 114.99 3juj h GLU 219 Ca 0.07 -0.72 -0.72 0.00 -1.00 0.00 0.00 59.36 56.98 3juj h GLU 219 Cb 0.39 0.21 0.05 0.00 0.50 0.00 0.00 28.75 29.91 3juj h GLU 219 CO 0.02 1.31 0.29 2.41 -1.00 0.00 0.00 179.01 182.03 3juj n THR 220 N -3.82 0.04 -2.53 1.13 -1.04 0.83 -4.92 114.28 103.97 3juj n THR 220 Ca -0.11 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.47 3juj n THR 220 Cb 0.90 -0.49 -0.03 0.00 -1.82 0.00 0.00 70.33 68.88 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 0.26 4.48 -0.23 -2.82 2.20 -1.26 -4.93 119.74 117.44 3juj s LYS 221 Ca 0.87 1.64 -0.32 0.00 -0.36 0.00 0.00 55.97 57.79 3juj s LYS 221 Cb -1.07 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 31.76 3juj s LYS 221 CO 0.51 -0.19 2.12 -2.30 -0.36 0.00 0.00 175.35 175.13 3juj n PRO 222 N 3.96 1.72 0.00 4.03 -0.02 -1.26 -4.79 135.00 138.63 3juj n PRO 222 Ca 0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3juj n PRO 222 Cb 0.48 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 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 5.66 0.74 3.53 -1.23 0.00 0.36 -4.58 105.19 109.67 3juj n GLY 223 Ca 0.32 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 3juj n GLY 223 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3juj n LYS 224 N 0.00 0.37 -0.69 1.61 2.85 -1.26 -3.41 118.16 117.63 3juj n LYS 224 Ca 0.00 -0.80 0.00 0.00 -1.05 0.00 0.00 58.31 56.46 3juj n LYS 224 Cb 0.00 -3.17 0.00 0.00 -0.65 0.00 0.00 35.03 31.21 3juj n LYS 224 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3juj n ASN 225 N 16.12 -0.93 0.00 -5.58 2.04 -1.26 -4.51 115.26 121.14 3juj n ASN 225 Ca 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.62 3juj n ASN 225 Cb 0.39 -0.45 0.00 0.00 -2.53 0.00 0.00 39.78 37.19 3juj n ASN 225 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 3juj n ASN 226 N -0.47 -1.96 -4.63 0.53 5.15 -1.22 -4.88 115.26 107.78 3juj n ASN 226 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 3juj n ASN 226 Cb 0.23 -1.50 -0.09 0.00 -0.53 0.00 0.00 39.78 37.90 3juj n ASN 226 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3juj s GLU 227 N -0.67 2.32 -0.15 1.20 2.02 -1.26 -4.88 118.70 117.28 3juj s GLU 227 Ca 0.00 -0.94 -0.02 0.00 0.02 0.00 0.00 54.97 54.03 3juj s GLU 227 Cb 0.00 -2.41 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 3juj s GLU 227 CO 0.00 0.52 -0.08 0.42 0.02 0.00 0.00 175.26 176.14 3juj s ILE 228 N -1.26 3.45 -0.02 -1.63 1.01 -1.26 0.14 121.20 121.62 3juj s ILE 228 Ca 0.23 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.40 3juj s ILE 228 Cb -0.11 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.87 3juj s ILE 228 CO 0.16 0.50 -0.09 -1.10 0.00 0.00 0.00 174.94 174.40 3juj s GLN 229 N 0.51 0.95 0.49 2.79 -1.52 -1.26 -2.77 119.66 118.85 3juj s GLN 229 Ca -0.06 -0.32 0.23 0.00 -1.95 0.00 0.00 55.36 53.26 3juj s GLN 229 Cb -0.15 -0.89 0.78 0.00 -0.22 0.00 0.00 33.01 32.54 3juj s GLN 229 CO 0.03 0.13 1.07 0.44 -0.25 0.00 0.00 175.29 176.71 3juj n ILE 230 N 3.22 0.00 -0.18 1.08 -6.64 -1.26 -0.27 119.36 115.31 3juj n ILE 230 Ca -0.17 1.04 -0.04 0.00 -1.77 0.00 0.00 62.75 61.80 3juj n ILE 230 Cb 0.55 -1.85 0.06 0.00 -1.44 0.00 0.00 39.64 36.96 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 0.96 -0.12 7.28 2.02 -1.98 0.97 112.91 122.04 3juj h THR 231 Ca 0.43 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.33 3juj h THR 231 Cb 2.44 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 3juj h THR 231 CO -0.00 0.10 -0.28 0.44 0.37 0.00 0.00 175.52 176.15 3juj h ASP 232 N 0.54 0.45 -0.99 4.18 3.32 -1.01 -2.10 116.42 120.80 3juj h ASP 232 Ca 0.23 -0.57 0.02 0.00 0.02 0.00 0.00 57.03 56.73 3juj h ASP 232 Cb 0.13 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3juj h ASP 232 CO -0.16 0.94 0.65 0.00 -1.72 0.00 0.00 179.24 178.96 3juj h ALA 233 N 0.52 1.32 -0.19 3.45 0.00 -1.48 0.10 119.26 122.99 3juj h ALA 233 Ca -0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3juj h ALA 233 Cb 0.88 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3juj h ALA 233 CO 0.06 0.61 -0.55 -0.07 0.00 0.00 0.00 179.25 179.31 3juj h LEU 234 N 1.31 0.61 0.29 0.00 3.38 0.95 -1.90 115.31 119.95 3juj h LEU 234 Ca 0.37 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3juj h LEU 234 Cb -0.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3juj h LEU 234 CO -0.09 1.04 -0.14 -0.09 0.09 0.00 0.00 178.44 179.24 3juj h ARG 235 N 0.43 -0.37 -0.86 1.13 2.43 -0.74 -1.10 114.38 115.29 3juj h ARG 235 Ca 0.01 0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.43 3juj h ARG 235 Cb 1.09 0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 3juj h ARG 235 CO 0.10 -0.16 0.22 1.15 -1.51 0.00 0.00 179.97 179.77 3juj h THR 236 N -0.52 0.34 -0.33 0.20 2.02 -0.69 0.65 112.91 114.59 3juj h THR 236 Ca -0.04 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.08 3juj h THR 236 Cb 0.38 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3juj h THR 236 CO 0.06 0.04 0.20 1.56 0.37 0.00 0.00 175.52 177.76 3juj h GLN 237 N 0.21 0.41 -0.87 6.66 4.20 -0.78 -2.70 115.11 122.23 3juj h GLN 237 Ca 0.53 -0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.33 3juj h GLN 237 Cb 1.04 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.64 3juj h GLN 237 CO -0.64 0.27 0.50 0.00 -0.67 0.00 0.00 178.83 178.29 3juj h ALA 238 N 1.14 1.29 -0.57 3.87 0.00 0.15 0.49 119.26 125.63 3juj h ALA 238 Ca 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3juj h ALA 238 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3juj h ALA 238 CO -0.05 0.08 0.30 0.87 0.00 0.00 0.00 179.25 180.45 3juj h LYS 239 N 0.79 0.79 -0.35 0.00 1.57 -0.98 -3.07 116.57 115.32 3juj h LYS 239 Ca 0.44 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.97 3juj h LYS 239 Cb 0.48 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3juj h LYS 239 CO -0.28 0.62 -0.38 0.00 -0.57 0.00 0.00 179.45 178.83 3juj h ARG 240 N 0.76 0.84 0.00 3.15 3.08 -0.77 -3.48 114.38 117.96 3juj h ARG 240 Ca 0.20 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3juj h ARG 240 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3juj h ARG 240 CO -0.03 1.08 0.00 0.36 -1.07 0.00 0.00 179.97 180.31 3juj n LYS 241 N -4.05 0.00 -2.80 0.04 0.00 0.16 -5.10 118.16 106.40 3juj n LYS 241 Ca -0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.88 3juj n LYS 241 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.53 3juj n LYS 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3juj s ARG 242 N -1.52 4.55 0.03 -1.58 3.52 -1.26 -4.08 118.95 118.61 3juj s ARG 242 Ca 0.00 1.29 0.02 0.00 -0.13 0.00 0.00 55.73 56.91 3juj s ARG 242 Cb 0.00 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 3juj s ARG 242 CO 0.00 0.04 -0.07 0.96 -0.81 0.00 0.00 175.30 175.42 3juj s ILE 243 N 0.73 0.45 0.10 4.11 -4.36 -1.26 -4.67 121.20 116.28 3juj s ILE 243 Ca 0.47 -0.98 0.03 0.00 -0.26 0.00 0.00 60.65 59.91 3juj s ILE 243 Cb -0.21 -0.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.95 3juj s ILE 243 CO 0.26 -0.37 0.13 -0.63 0.24 0.00 0.00 174.94 174.58 3juj s ILE 244 N -1.29 4.78 -0.21 8.37 1.09 -0.47 -1.72 121.20 131.74 3juj s ILE 244 Ca -0.10 -0.73 0.02 0.00 -1.10 0.00 0.00 60.65 58.74 3juj s ILE 244 Cb -0.09 -3.35 0.04 0.00 -1.06 0.00 0.00 42.46 38.00 3juj s ILE 244 CO 0.00 0.07 -0.15 0.00 -0.10 0.00 0.00 174.94 174.77 3juj s ALA 245 N -1.51 2.33 -0.18 9.38 0.00 -0.53 -0.75 121.76 130.50 3juj s ALA 245 Ca 0.31 -1.40 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 3juj s ALA 245 Cb -0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 3juj s ALA 245 CO 0.24 -0.75 0.02 -0.47 0.00 0.00 0.00 175.76 174.80 3juj s TYR 246 N 1.25 3.12 -0.97 0.00 5.04 -0.93 -1.81 117.35 123.05 3juj s TYR 246 Ca -0.01 -0.19 -0.18 0.00 -2.44 0.00 0.00 57.07 54.25 3juj s TYR 246 Cb -0.16 -2.06 0.14 0.00 0.35 0.00 0.00 41.96 40.24 3juj s TYR 246 CO -0.09 -0.03 1.15 -1.14 -1.34 0.00 0.00 175.55 174.11 3juj s GLN 247 N 0.60 3.68 1.28 4.97 0.74 -0.12 0.11 119.66 130.92 3juj s GLN 247 Ca 0.01 -1.93 -0.18 0.00 0.05 0.00 0.00 55.36 53.31 3juj s GLN 247 Cb -0.14 -4.91 0.30 0.00 1.10 0.00 0.00 33.01 29.36 3juj s GLN 247 CO 0.02 -1.74 0.80 1.97 -0.55 0.00 0.00 175.29 175.79 3juj n PHE 248 N 6.25 -2.31 -4.61 1.67 1.16 -1.24 -4.90 117.46 113.49 3juj n PHE 248 Ca 0.25 -0.36 -0.28 0.00 -1.87 0.00 0.00 57.45 55.19 3juj n PHE 248 Cb 0.48 -1.53 -0.14 0.00 -1.61 0.00 0.00 39.48 36.68 3juj n PHE 248 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3juj s LYS 249 N -4.44 1.50 0.00 3.97 1.02 -1.26 -5.03 119.74 115.50 3juj s LYS 249 Ca 0.65 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 55.49 3juj s LYS 249 Cb -0.18 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 3juj s LYS 249 CO 0.61 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.89 3juj n GLY 250 N 1.44 1.75 3.93 -3.33 0.00 -1.26 -4.67 105.19 103.04 3juj n GLY 250 Ca -0.18 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.85 3.47 -0.12 1.61 2.20 0.33 -4.91 119.74 120.48 3juj s LYS 251 Ca 0.00 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 3juj s LYS 251 Cb 0.00 -2.96 0.02 0.00 -1.51 0.00 0.00 37.83 33.38 3juj s LYS 251 CO 0.00 0.54 -0.12 0.50 -0.36 0.00 0.00 175.35 175.91 3juj s ARG 252 N -2.86 1.98 -0.17 4.03 3.00 -1.26 -0.34 118.95 123.33 3juj s ARG 252 Ca 0.36 -0.44 -0.09 0.00 -1.00 0.00 0.00 55.73 54.55 3juj s ARG 252 Cb -0.12 -1.84 -0.05 0.00 0.00 0.00 0.00 34.95 32.94 3juj s ARG 252 CO 0.28 -0.20 0.15 0.71 0.00 0.00 0.00 175.30 176.24 3juj s TYR 253 N 1.41 3.47 -0.91 5.12 1.51 0.20 -4.95 117.35 123.21 3juj s TYR 253 Ca 0.01 0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 56.32 3juj s TYR 253 Cb -0.13 -2.11 0.16 0.00 -0.11 0.00 0.00 41.96 39.77 3juj s TYR 253 CO -0.07 0.43 1.02 0.34 -1.11 0.00 0.00 175.55 176.16 3juj s ASP 254 N -0.08 6.70 0.00 2.29 -1.08 -1.26 -1.18 116.67 122.06 3juj s ASP 254 Ca 0.11 -2.30 0.00 0.00 -0.52 0.00 0.00 52.55 49.84 3juj s ASP 254 Cb -0.11 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 3juj s ASP 254 CO 0.00 -0.89 0.73 0.00 0.52 0.00 0.00 175.17 175.53 3juj h GLY 256 N 4.47 0.00 -4.40 0.00 0.00 -1.86 -3.41 103.07 97.87 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 0.00 0.00 -0.73 -1.35 0.00 0.00 0.00 176.54 174.46 3juj s SER 257 N -6.16 4.41 0.45 0.19 1.04 -1.05 -4.88 113.70 107.69 3juj s SER 257 Ca -0.01 -0.33 0.15 0.00 0.48 0.00 0.00 55.95 56.24 3juj s SER 257 Cb 0.11 -0.88 1.02 0.00 0.10 0.00 0.00 66.02 66.37 3juj s SER 257 CO 0.61 0.21 1.99 -0.37 0.98 0.00 0.00 173.24 176.66 3juj h VAL 258 N 3.40 1.10 -0.73 5.02 -1.51 -1.87 0.17 116.25 121.83 3juj h VAL 258 Ca -0.49 -0.67 -0.02 0.00 -1.23 0.00 0.00 66.70 64.29 3juj h VAL 258 Cb 1.17 1.36 -0.03 0.00 -2.13 0.00 0.00 31.29 31.65 3juj h VAL 258 CO 0.52 0.19 0.37 -0.08 -1.23 0.00 0.00 177.57 177.34 3juj h GLU 259 N 0.00 1.04 -0.04 5.19 4.81 -1.94 0.27 114.58 123.91 3juj h GLU 259 Ca -0.00 -0.14 -0.21 0.00 -0.13 0.00 0.00 59.36 58.87 3juj h GLU 259 Cb 0.35 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3juj h GLU 259 CO 0.02 0.81 -0.85 0.78 -0.73 0.00 0.00 179.01 179.04 3juj h GLY 260 N 1.02 0.50 0.80 1.92 0.00 -1.39 -2.19 103.07 103.73 3juj h GLY 260 Ca 0.25 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 3juj h GLY 260 CO -0.03 0.70 -0.40 -1.82 0.00 0.00 0.00 176.54 174.98 3juj h TYR 261 N 0.28 -1.07 -0.44 5.60 3.20 -0.23 0.36 116.97 124.68 3juj h TYR 261 Ca -0.06 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.89 3juj h TYR 261 Cb 1.46 0.39 -0.08 0.00 1.54 0.00 0.00 36.73 40.04 3juj h TYR 261 CO 0.06 -0.60 -0.04 0.82 -1.64 0.00 0.00 178.16 176.75 3juj h ILE 262 N -0.97 0.63 -0.05 1.81 1.08 -0.51 0.21 117.51 119.70 3juj h ILE 262 Ca -0.08 -0.02 0.03 0.00 -0.39 0.00 0.00 64.86 64.41 3juj h ILE 262 Cb 0.80 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 3juj h ILE 262 CO 0.06 0.01 -0.18 -0.33 -0.69 0.00 0.00 178.15 177.02 3juj h GLU 263 N 0.07 -0.26 -0.86 2.37 5.08 -1.05 -1.03 114.58 118.90 3juj h GLU 263 Ca 0.21 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.70 3juj h GLU 263 Cb 0.32 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 3juj h GLU 263 CO -0.39 -0.17 0.56 0.00 -1.00 0.00 0.00 179.01 178.00 3juj h ALA 264 N 0.69 1.74 0.90 3.43 0.00 0.54 -1.31 119.26 125.25 3juj h ALA 264 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3juj h ALA 264 Cb 0.37 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3juj h ALA 264 CO -0.21 0.06 -0.43 0.77 0.00 0.00 0.00 179.25 179.44 3juj h SER 265 N 0.77 -1.02 -0.61 0.00 0.02 0.25 -2.51 113.55 110.45 3juj h SER 265 Ca 0.41 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.52 3juj h SER 265 Cb 0.53 0.26 -0.11 0.00 0.14 0.00 0.00 62.40 63.22 3juj h SER 265 CO -0.17 -0.71 -0.06 0.78 -1.14 0.00 0.00 176.83 175.53 3juj h ASN 266 N -1.26 -0.40 0.00 3.07 2.35 -0.92 -1.80 115.58 116.62 3juj h ASN 266 Ca -0.12 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3juj h ASN 266 Cb 0.93 0.32 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3juj h ASN 266 CO 0.20 -0.15 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 3juj n ALA 267 N -2.89 -0.18 0.33 -0.83 0.00 -0.53 -1.45 120.51 114.96 3juj n ALA 267 Ca 0.08 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.69 3juj n ALA 267 Cb 0.34 0.29 0.91 0.00 0.00 0.00 0.00 19.45 20.99 3juj n ALA 267 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3juj h TYR 268 N 0.00 0.00 0.30 0.00 0.05 -1.20 0.12 116.97 116.24 3juj h TYR 268 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3juj h TYR 268 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3juj h TYR 268 CO -0.43 0.00 -0.14 -0.92 -1.05 0.00 0.00 178.16 175.62 3juj h TYR 269 N 0.00 -0.37 -0.20 4.88 3.20 -0.42 -2.75 116.97 121.30 3juj h TYR 269 Ca 0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3juj h TYR 269 Cb 0.52 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.86 3juj h TYR 269 CO 0.00 -0.05 -0.18 0.87 -1.64 0.00 0.00 178.16 177.16 3juj h LYS 270 N -0.98 -0.19 -1.40 1.82 6.56 0.04 -0.31 116.57 122.12 3juj h LYS 270 Ca -0.04 0.01 0.48 0.00 -1.06 0.00 0.00 60.65 60.04 3juj h LYS 270 Cb 0.48 0.04 -0.13 0.00 -0.57 0.00 0.00 32.23 32.05 3juj h LYS 270 CO 0.07 -0.13 0.91 -0.22 -2.06 0.00 0.00 179.45 178.02 3juj h LYS 271 N -0.19 0.02 -1.26 3.15 3.64 -0.86 0.16 116.57 121.24 3juj h LYS 271 Ca 0.12 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3juj h LYS 271 Cb 0.38 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3juj h LYS 271 CO -0.32 0.01 0.00 0.54 -2.27 0.00 0.00 179.45 177.41 3juj n ARG 272 N -4.68 0.89 0.00 1.90 1.74 -0.13 -5.07 116.66 111.32 3juj n ARG 272 Ca 0.40 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.61 3juj n ARG 272 Cb 1.57 -1.05 0.36 0.00 -1.02 0.00 0.00 32.46 32.31 3juj n ARG 272 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58