#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jha h HIS 5 N 0.00 0.51 0.79 1.96 3.86 -2.03 -1.57 115.15 118.68 1jha h HIS 5 Ca 0.00 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 1jha h HIS 5 Cb 0.00 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 1jha h HIS 5 CO 0.00 0.61 -0.47 0.00 0.86 0.00 0.00 177.93 178.93 1jha h ALA 6 N 1.41 -1.27 -0.71 2.45 0.00 -2.04 -0.58 119.26 118.51 1jha h ALA 6 Ca 0.08 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.88 1jha h ALA 6 Cb 0.53 0.58 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 1jha h ALA 6 CO 0.03 -1.22 -0.19 1.25 0.00 0.00 0.00 179.25 179.11 1jha h LEU 7 N -1.18 -0.72 -0.46 0.00 5.85 -1.92 -0.62 115.31 116.27 1jha h LEU 7 Ca -0.11 0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1jha h LEU 7 Cb 0.94 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1jha h LEU 7 CO 0.11 -0.24 0.10 -0.07 -0.34 0.00 0.00 178.44 178.00 1jha h LEU 8 N -0.01 0.72 -0.99 2.25 3.38 -1.10 -2.90 115.31 116.65 1jha h LEU 8 Ca 0.34 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1jha h LEU 8 Cb 0.53 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1jha h LEU 8 CO -0.74 0.78 0.64 -0.09 0.09 0.00 0.00 178.44 179.12 1jha h ARG 9 N 0.62 1.18 -0.15 1.13 2.43 -0.14 -2.98 114.38 116.48 1jha h ARG 9 Ca 0.14 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1jha h ARG 9 Cb 0.35 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1jha h ARG 9 CO 0.00 0.78 0.00 -0.25 -1.51 0.00 0.00 179.97 179.00 1jha n ASP 10 N -4.48 0.53 -4.69 -3.80 10.43 -0.33 -4.88 116.55 109.34 1jha n ASP 10 Ca 0.14 -2.01 -0.42 0.00 2.57 0.00 0.00 54.79 55.07 1jha n ASP 10 Cb 0.13 -0.09 -0.03 0.00 1.84 0.00 0.00 41.12 42.97 1jha n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1jha s ILE 11 N -1.84 4.32 0.50 0.53 1.01 -1.13 -4.88 121.20 119.71 1jha s ILE 11 Ca 0.06 1.64 -0.20 0.00 0.00 0.00 0.00 60.65 62.15 1jha s ILE 11 Cb 0.03 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 1jha s ILE 11 CO 0.04 -0.00 1.06 -2.16 0.00 0.00 0.00 174.94 173.87 1jha s PRO 12 N 2.20 3.68 0.64 2.79 0.04 -1.26 -5.02 135.00 138.07 1jha s PRO 12 Ca 0.55 1.41 -0.10 0.00 0.04 0.00 0.00 61.00 62.90 1jha s PRO 12 Cb -0.24 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 1jha s PRO 12 CO 0.21 -0.54 1.01 0.00 0.04 0.00 0.00 177.00 177.73 1jha s ALA 13 N -1.96 3.08 0.55 8.56 0.00 -1.26 -5.00 121.76 125.73 1jha s ALA 13 Ca 0.68 -0.33 -0.18 0.00 0.00 0.00 0.00 51.96 52.13 1jha s ALA 13 Cb -0.18 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 1jha s ALA 13 CO 0.22 -0.86 1.09 -2.14 0.00 0.00 0.00 175.76 174.07 1jha s PRO 14 N -5.18 3.40 -0.96 0.00 0.02 -1.26 -4.81 135.00 126.21 1jha s PRO 14 Ca 0.55 1.44 -0.22 0.00 0.02 0.00 0.00 61.00 62.79 1jha s PRO 14 Cb -0.11 -2.03 0.07 0.00 0.02 0.00 0.00 34.50 32.45 1jha s PRO 14 CO 0.51 -0.77 1.33 0.34 -0.33 0.00 0.00 177.00 178.07 1jha s ASP 15 N -2.12 6.50 0.53 2.53 3.68 0.16 -4.88 116.67 123.07 1jha s ASP 15 Ca 0.69 -1.53 0.21 0.00 2.13 0.00 0.00 52.55 54.05 1jha s ASP 15 Cb -0.20 -2.52 1.37 0.00 -1.45 0.00 0.00 42.92 40.13 1jha s ASP 15 CO 0.29 -1.41 2.10 0.00 0.13 0.00 0.00 175.17 176.28 1jha h ALA 16 N 9.54 2.13 -0.05 3.66 0.00 -1.92 -2.13 119.26 130.49 1jha h ALA 16 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1jha h ALA 16 Cb 1.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1jha h ALA 16 CO 1.32 -0.24 0.00 1.49 0.00 0.00 0.00 179.25 181.82 1jha h GLU 17 N 0.00 0.09 -0.80 0.00 4.22 -1.98 -0.44 114.58 115.67 1jha h GLU 17 Ca 0.09 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.51 1jha h GLU 17 Cb 0.37 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1jha h GLU 17 CO -0.00 0.37 0.53 0.00 -2.18 0.00 0.00 179.01 177.73 1jha h ALA 18 N 0.72 1.01 -0.80 2.92 0.00 -1.78 -1.71 119.26 119.62 1jha h ALA 18 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jha h ALA 18 Cb 0.33 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1jha h ALA 18 CO 0.00 0.43 0.52 0.52 0.00 0.00 0.00 179.25 180.72 1jha h MET 19 N 1.08 1.07 -0.40 0.00 2.86 -1.20 0.50 114.93 118.84 1jha h MET 19 Ca 0.29 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1jha h MET 19 Cb -0.13 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.28 1jha h MET 19 CO -0.06 0.72 0.23 0.00 1.06 0.00 0.00 176.91 178.85 1jha h ALA 20 N 1.28 0.51 -0.71 6.32 0.00 -0.59 -1.18 119.26 124.88 1jha h ALA 20 Ca 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1jha h ALA 20 Cb -0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1jha h ALA 20 CO -0.06 0.02 0.39 0.00 0.00 0.00 0.00 179.25 179.60 1jha h ARG 21 N 0.52 0.99 -0.30 0.00 3.08 -0.78 -2.35 114.38 115.53 1jha h ARG 21 Ca 0.14 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1jha h ARG 21 Cb 0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1jha h ARG 21 CO -0.02 0.73 0.02 1.15 -1.07 0.00 0.00 179.97 180.78 1jha h THR 22 N 1.00 1.25 -0.53 2.04 2.02 -0.41 -2.06 112.91 116.22 1jha h THR 22 Ca 0.25 -0.88 0.02 0.00 0.77 0.00 0.00 66.41 66.58 1jha h THR 22 Cb 0.03 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1jha h THR 22 CO -0.04 0.29 0.32 -0.61 0.37 0.00 0.00 175.52 175.84 1jha h GLN 23 N 0.33 0.61 -0.70 6.66 5.75 -1.00 0.58 115.11 127.35 1jha h GLN 23 Ca 0.09 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1jha h GLN 23 Cb 0.39 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1jha h GLN 23 CO 0.01 0.40 0.30 1.96 -2.65 0.00 0.00 178.83 178.85 1jha h GLN 24 N 0.63 1.03 -0.49 1.69 7.50 -1.37 -0.27 115.11 123.83 1jha h GLN 24 Ca 0.21 -0.17 -0.03 0.00 0.50 0.00 0.00 58.65 59.16 1jha h GLN 24 Cb 0.02 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.35 1jha h GLN 24 CO -0.09 0.84 0.18 1.25 -1.50 0.00 0.00 178.83 179.51 1jha h HIS 25 N 0.98 0.75 -0.82 2.96 -0.00 -0.82 -2.64 115.15 115.56 1jha h HIS 25 Ca 0.23 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 1jha h HIS 25 Cb 0.18 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.32 1jha h HIS 25 CO 0.01 0.64 0.46 0.82 -0.00 0.00 0.00 177.93 179.86 1jha h ILE 26 N 0.65 1.24 0.00 6.26 2.04 -0.65 -2.20 117.51 124.85 1jha h ILE 26 Ca 0.16 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1jha h ILE 26 Cb 0.21 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1jha h ILE 26 CO -0.01 0.26 -0.11 0.44 0.00 0.00 0.00 178.15 178.73 1jha h ASP 27 N 1.14 0.00 0.24 1.72 3.45 -0.71 -2.38 116.42 119.87 1jha h ASP 27 Ca 0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.75 1jha h ASP 27 Cb 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1jha h ASP 27 CO -0.05 0.11 -0.12 0.61 -1.57 0.00 0.00 179.24 178.22 1jha n GLY 28 N -0.98 -0.70 3.71 2.75 0.00 -0.84 -4.74 105.19 104.40 1jha n GLY 28 Ca -0.02 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1jha n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jha s LEU 29 N -2.36 2.42 -0.48 0.99 1.43 -0.90 -1.33 118.68 118.45 1jha s LEU 29 Ca 0.31 1.63 -0.18 0.00 -1.03 0.00 0.00 54.13 54.86 1jha s LEU 29 Cb 0.20 -4.09 -0.17 0.00 0.03 0.00 0.00 46.19 42.16 1jha s LEU 29 CO 0.45 -2.62 1.74 -0.11 0.23 0.00 0.00 176.35 176.04 1jha n LEU 30 N -3.88 2.84 -3.62 1.79 7.94 -0.20 -4.23 117.00 117.65 1jha n LEU 30 Ca 0.08 -2.25 -0.02 0.00 -1.11 0.00 0.00 56.01 52.71 1jha n LEU 30 Cb 0.54 -0.86 -0.01 0.00 0.53 0.00 0.00 43.42 43.62 1jha n LEU 30 CO 0.55 -0.72 0.93 -1.59 -1.11 0.00 0.00 177.39 175.44 1jha s LYS 31 N 5.20 0.57 0.20 1.96 -2.85 -1.26 -4.97 119.74 118.59 1jha s LYS 31 Ca 0.48 -0.28 -0.30 0.00 -1.00 0.00 0.00 55.97 54.87 1jha s LYS 31 Cb 0.12 0.22 -0.09 0.00 -2.06 0.00 0.00 37.83 36.01 1jha s LYS 31 CO 0.13 -0.26 1.37 -2.14 0.10 0.00 0.00 175.35 174.55 1jha s PRO 32 N -2.67 4.34 0.22 1.78 0.02 -1.26 -4.90 135.00 132.53 1jha s PRO 32 Ca 0.11 2.14 -0.31 0.00 0.02 0.00 0.00 61.00 62.96 1jha s PRO 32 Cb 0.01 -3.17 -0.14 0.00 0.02 0.00 0.00 34.50 31.22 1jha s PRO 32 CO -0.04 -0.34 1.30 -2.30 -0.33 0.00 0.00 177.00 175.30 1jha n PRO 33 N 2.75 1.72 -0.76 5.54 -0.02 -1.26 -1.65 135.00 141.33 1jha n PRO 33 Ca 0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1jha n PRO 33 Cb 0.42 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1jha n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jha n GLY 34 N 2.01 0.78 0.30 -1.23 0.00 -1.26 -4.90 105.19 100.89 1jha n GLY 34 Ca 0.12 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.30 1jha n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jha h SER 35 N 0.00 0.00 -0.43 1.61 4.64 -1.69 -1.66 113.55 116.02 1jha h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jha h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jha h SER 35 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1jha n LEU 36 N -3.78 2.94 0.00 5.97 4.77 -1.26 -4.99 117.00 120.64 1jha n LEU 36 Ca -0.03 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.47 1jha n LEU 36 Cb 0.08 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1jha n LEU 36 CO 0.27 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1jha n GLY 37 N 0.96 1.62 0.32 -0.72 0.00 -0.63 -1.22 105.19 105.53 1jha n GLY 37 Ca 0.16 0.28 0.21 0.00 0.00 0.00 0.00 46.02 46.68 1jha n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jha h ARG 38 N 0.00 0.00 -0.03 1.61 3.08 -1.94 -0.67 114.38 116.43 1jha h ARG 38 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1jha h ARG 38 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1jha h ARG 38 CO 0.00 0.00 -0.68 1.25 -1.07 0.00 0.00 179.97 179.47 1jha h LEU 39 N 0.00 0.19 -0.05 3.04 5.85 -1.59 -0.53 115.31 122.22 1jha h LEU 39 Ca 0.00 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1jha h LEU 39 Cb 0.06 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1jha h LEU 39 CO 0.00 0.81 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.47 1jha h GLU 40 N 0.11 0.17 -0.86 1.25 5.08 -1.15 -2.20 114.58 116.98 1jha h GLU 40 Ca -0.01 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1jha h GLU 40 Cb 1.21 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1jha h GLU 40 CO 0.10 0.70 0.55 1.15 -1.00 0.00 0.00 179.01 180.51 1jha h THR 41 N -0.34 1.11 -0.20 1.13 2.02 -1.49 -1.11 112.91 114.02 1jha h THR 41 Ca 0.00 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1jha h THR 41 Cb 0.70 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1jha h THR 41 CO 0.02 0.19 0.11 0.25 0.37 0.00 0.00 175.52 176.46 1jha h LEU 42 N 1.04 0.26 -0.78 2.58 5.85 -1.08 -0.62 115.31 122.56 1jha h LEU 42 Ca 0.35 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.05 1jha h LEU 42 Cb 0.06 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1jha h LEU 42 CO -0.13 0.28 0.44 0.00 -0.34 0.00 0.00 178.44 178.69 1jha h ALA 43 N 0.99 1.08 -0.52 1.25 0.00 -0.73 -0.30 119.26 121.02 1jha h ALA 43 Ca 0.07 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1jha h ALA 43 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1jha h ALA 43 CO -0.01 0.11 -0.15 0.28 0.00 0.00 0.00 179.25 179.48 1jha h VAL 44 N 0.78 1.27 -0.30 0.00 2.07 -0.97 -1.87 116.25 117.23 1jha h VAL 44 Ca 0.36 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.59 1jha h VAL 44 Cb 0.27 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1jha h VAL 44 CO -0.21 0.46 0.16 -0.61 0.02 0.00 0.00 177.57 177.38 1jha h GLN 45 N 0.89 0.32 -0.74 1.57 4.15 -0.06 -2.49 115.11 118.75 1jha h GLN 45 Ca 0.13 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.56 1jha h GLN 45 Cb 0.72 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.30 1jha h GLN 45 CO 0.06 0.21 0.47 -0.07 -1.93 0.00 0.00 178.83 177.57 1jha h LEU 46 N 0.33 0.78 -2.09 -2.39 3.38 -0.93 -2.20 115.31 112.18 1jha h LEU 46 Ca 0.12 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1jha h LEU 46 Cb 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1jha h LEU 46 CO -0.08 0.54 0.15 0.00 0.09 0.00 0.00 178.44 179.15 1jha h ALA 47 N 1.31 2.07 -0.00 1.53 0.00 -0.89 -1.61 119.26 121.66 1jha h ALA 47 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1jha h ALA 47 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jha h ALA 47 CO -0.11 -0.25 -0.02 0.41 0.00 0.00 0.00 179.25 179.28 1jha n GLY 48 N -1.52 -1.47 3.61 0.00 0.00 -0.83 -4.21 105.19 100.77 1jha n GLY 48 Ca 0.02 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1jha n GLY 48 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jha s MET 49 N -2.96 3.78 0.37 1.61 1.00 -0.61 -0.67 119.30 121.83 1jha s MET 49 Ca 0.15 0.65 0.14 0.00 0.00 0.00 0.00 55.69 56.63 1jha s MET 49 Cb 0.19 -3.88 0.98 0.00 0.00 0.00 0.00 34.83 32.12 1jha s MET 49 CO 0.53 -1.31 1.79 -1.35 0.00 0.00 0.00 175.02 174.68 1jha h PRO 50 N 9.04 0.50 0.00 2.03 0.11 -1.86 0.15 132.00 141.98 1jha h PRO 50 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1jha h PRO 50 Cb 1.06 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1jha h PRO 50 CO 1.11 0.33 0.00 0.41 -0.21 0.00 0.00 178.00 179.65 1jha n GLY 51 N -1.43 -0.82 0.79 -0.55 0.00 -0.50 -2.37 105.19 100.31 1jha n GLY 51 Ca 0.23 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1jha n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jha n LEU 52 N -1.44 2.50 -2.64 0.99 4.77 0.51 -4.97 117.00 116.73 1jha n LEU 52 Ca 0.03 -0.84 -0.15 0.00 -0.03 0.00 0.00 56.01 55.03 1jha n LEU 52 Cb 0.12 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1jha n LEU 52 CO 0.10 0.42 0.14 0.59 -1.33 0.00 0.00 177.39 177.31 1jha n ASN 53 N 0.91 -4.06 -0.60 -1.43 3.02 -1.00 -3.45 115.26 108.66 1jha n ASN 53 Ca 0.15 -0.39 -0.08 0.00 -0.03 0.00 0.00 54.58 54.23 1jha n ASN 53 Cb 0.52 -3.63 -0.03 0.00 -0.61 0.00 0.00 39.78 36.03 1jha n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jha n GLY 54 N -1.40 0.84 3.33 7.41 0.00 -1.26 -4.96 105.19 109.15 1jha n GLY 54 Ca -0.06 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 1jha n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jha s THR 55 N -1.88 0.04 -0.11 2.61 -1.32 -1.22 -4.92 115.64 108.84 1jha s THR 55 Ca 0.00 -0.36 -0.29 0.00 -1.21 0.00 0.00 61.69 59.82 1jha s THR 55 Cb 0.00 -0.80 -0.04 0.00 -1.51 0.00 0.00 72.50 70.15 1jha s THR 55 CO 0.00 -0.20 1.58 -2.16 -2.21 0.00 0.00 174.62 171.63 1jha s PRO 56 N -1.63 4.09 0.01 7.08 0.04 -1.26 -4.57 135.00 138.76 1jha s PRO 56 Ca -0.11 1.97 -0.22 0.00 0.04 0.00 0.00 61.00 62.68 1jha s PRO 56 Cb -0.03 -3.96 0.05 0.00 0.04 0.00 0.00 34.50 30.60 1jha s PRO 56 CO 0.04 -0.94 0.50 1.14 0.04 0.00 0.00 177.00 177.78 1jha s GLN 57 N 4.12 0.96 -0.09 4.56 -2.07 -1.26 -4.81 119.66 121.07 1jha s GLN 57 Ca 0.70 -0.14 -0.00 0.00 -1.82 0.00 0.00 55.36 54.10 1jha s GLN 57 Cb -0.29 0.44 0.02 0.00 -1.09 0.00 0.00 33.01 32.09 1jha s GLN 57 CO 0.27 -0.32 -0.06 0.08 -1.32 0.00 0.00 175.29 173.94 1jha s VAL 58 N -1.98 0.83 0.00 3.63 1.01 -1.26 -4.99 120.40 117.64 1jha s VAL 58 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1jha s VAL 58 Cb -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1jha s VAL 58 CO 0.02 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1jha n GLY 59 N 4.78 0.33 3.86 4.51 0.00 -1.26 -5.05 105.19 112.35 1jha n GLY 59 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1jha n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jha s GLU 60 N 2.57 3.85 -0.04 1.61 0.41 -0.67 -4.81 118.70 121.62 1jha s GLU 60 Ca 0.00 0.70 0.06 0.00 -0.41 0.00 0.00 54.97 55.32 1jha s GLU 60 Cb 0.00 -2.26 -0.01 0.00 -1.78 0.00 0.00 34.13 30.08 1jha s GLU 60 CO 0.00 -0.16 -0.22 0.15 -0.49 0.00 0.00 175.26 174.54 1jha s LYS 61 N -3.99 2.10 0.01 1.61 1.02 -1.26 -0.61 119.74 118.62 1jha s LYS 61 Ca 0.55 -0.78 0.02 0.00 0.02 0.00 0.00 55.97 55.78 1jha s LYS 61 Cb -0.10 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 1jha s LYS 61 CO 0.32 0.37 -0.08 0.00 -0.92 0.00 0.00 175.35 175.04 1jha s ALA 62 N -0.20 0.64 -0.20 5.17 0.00 -0.88 -1.01 121.76 125.27 1jha s ALA 62 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 1jha s ALA 62 Cb -0.12 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1jha s ALA 62 CO 0.02 0.11 -0.13 0.08 0.00 0.00 0.00 175.76 175.84 1jha s VAL 63 N -0.51 2.56 -0.31 0.00 1.01 0.86 -1.01 120.40 123.00 1jha s VAL 63 Ca -0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 1jha s VAL 63 Cb -0.05 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1jha s VAL 63 CO 0.00 0.43 0.34 -0.76 0.00 0.00 0.00 175.10 175.12 1jha s LEU 64 N 1.34 4.24 -0.34 3.92 1.02 -0.47 0.19 118.68 128.58 1jha s LEU 64 Ca 0.04 -0.02 -0.09 0.00 0.02 0.00 0.00 54.13 54.08 1jha s LEU 64 Cb -0.14 -2.34 0.02 0.00 0.02 0.00 0.00 46.19 43.75 1jha s LEU 64 CO -0.09 -0.25 0.16 -0.69 0.02 0.00 0.00 176.35 175.50 1jha s VAL 65 N 2.00 4.36 -0.31 -1.59 1.01 0.47 -0.67 120.40 125.68 1jha s VAL 65 Ca 0.12 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 1jha s VAL 65 Cb -0.16 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1jha s VAL 65 CO 0.11 -0.10 0.51 -0.04 0.00 0.00 0.00 175.10 175.58 1jha s MET 66 N 1.54 3.85 -0.07 2.72 1.00 -0.43 0.04 119.30 127.94 1jha s MET 66 Ca 0.02 0.07 0.02 0.00 0.00 0.00 0.00 55.69 55.80 1jha s MET 66 Cb -0.18 -3.73 -0.03 0.00 0.00 0.00 0.00 34.83 30.89 1jha s MET 66 CO 0.05 -0.50 -0.10 0.00 0.00 0.00 0.00 175.02 174.48 1jha s ALA 68 N -0.70 -1.87 0.24 0.00 0.00 -0.57 -0.94 121.76 117.93 1jha s ALA 68 Ca 0.11 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.42 1jha s ALA 68 Cb -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1jha s ALA 68 CO 0.01 -0.50 0.31 -0.51 0.00 0.00 0.00 175.76 175.08 1jha s ASP 69 N -1.78 6.08 -0.04 0.00 1.11 -0.30 -4.06 116.67 117.68 1jha s ASP 69 Ca 0.01 -0.02 0.03 0.00 0.18 0.00 0.00 52.55 52.74 1jha s ASP 69 Cb -0.01 -1.73 0.00 0.00 1.07 0.00 0.00 42.92 42.26 1jha s ASP 69 CO -0.03 -0.06 -0.13 -1.00 1.18 0.00 0.00 175.17 175.14 1jha s HIS 70 N -2.02 1.34 0.48 4.23 3.76 -1.26 -1.54 115.29 120.27 1jha s HIS 70 Ca 0.34 -0.40 0.19 0.00 -0.15 0.00 0.00 55.06 55.04 1jha s HIS 70 Cb -0.09 -0.94 1.25 0.00 1.11 0.00 0.00 32.58 33.91 1jha s HIS 70 CO 0.28 -0.17 2.07 0.78 -0.85 0.00 0.00 174.74 176.85 1jha h GLY 71 N 6.50 0.00 1.74 -2.22 0.00 -1.07 -2.27 103.07 105.75 1jha h GLY 71 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1jha h GLY 71 CO 0.48 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.57 1jha n VAL 72 N -4.19 1.22 0.11 4.60 3.14 -1.26 -2.08 118.33 119.88 1jha n VAL 72 Ca -0.03 0.30 0.05 0.00 -2.96 0.00 0.00 64.34 61.71 1jha n VAL 72 Cb 0.19 -1.22 0.50 0.00 -1.06 0.00 0.00 33.84 32.26 1jha n VAL 72 CO 0.00 0.00 0.00 -0.25 -6.46 0.00 0.00 176.83 170.12 1jha h TRP 73 N 0.00 0.29 0.00 1.45 7.01 -1.73 -0.42 115.95 122.55 1jha h TRP 73 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1jha h TRP 73 Cb 0.07 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1jha h TRP 73 CO 0.00 0.20 0.00 -0.25 -2.79 0.00 0.00 178.44 175.60 1jha n ASP 74 N -4.48 0.00 -0.27 2.65 8.00 -0.88 -2.61 116.55 118.97 1jha n ASP 74 Ca 0.00 0.47 0.10 0.00 0.71 0.00 0.00 54.79 56.07 1jha n ASP 74 Cb 0.09 -0.48 0.48 0.00 -0.02 0.00 0.00 41.12 41.19 1jha n ASP 74 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jha n GLU 75 N -1.48 1.35 -1.20 -1.24 -0.58 -0.17 -4.90 120.64 112.42 1jha n GLU 75 Ca 0.03 -0.53 -0.03 0.00 -0.42 0.00 0.00 57.16 56.21 1jha n GLU 75 Cb 0.12 -1.35 -0.01 0.00 -0.57 0.00 0.00 31.44 29.62 1jha n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jha n GLY 76 N 0.96 0.56 0.25 0.62 0.00 -1.07 -4.94 105.19 101.57 1jha n GLY 76 Ca 0.15 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.38 1jha n GLY 76 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jha n VAL 77 N -3.05 0.00 -3.93 1.61 0.24 -1.26 -4.88 118.33 107.06 1jha n VAL 77 Ca -0.03 -0.13 -0.15 0.00 -2.04 0.00 0.00 64.34 61.99 1jha n VAL 77 Cb 0.15 0.28 -0.15 0.00 -1.47 0.00 0.00 33.84 32.65 1jha n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jha s ALA 78 N -2.40 0.19 -1.08 2.33 0.00 -1.26 -4.91 121.76 114.62 1jha s ALA 78 Ca 0.28 0.05 0.24 0.00 0.00 0.00 0.00 51.96 52.54 1jha s ALA 78 Cb 0.20 -0.15 0.35 0.00 0.00 0.00 0.00 23.12 23.51 1jha s ALA 78 CO 0.48 -0.02 1.30 1.55 0.00 0.00 0.00 175.76 179.07 1jha n VAL 79 N 3.54 0.00 -2.88 0.00 3.14 -1.26 -4.84 118.33 116.03 1jha n VAL 79 Ca -0.19 -0.02 -0.39 0.00 -2.96 0.00 0.00 64.34 60.78 1jha n VAL 79 Cb 0.55 0.45 -0.06 0.00 -1.06 0.00 0.00 33.84 33.72 1jha n VAL 79 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1jha s SER 80 N -2.95 7.45 0.38 6.55 0.01 -1.26 -5.00 113.70 118.88 1jha s SER 80 Ca 0.11 1.76 -0.27 0.00 1.31 0.00 0.00 55.95 58.87 1jha s SER 80 Cb 0.17 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.77 1jha s SER 80 CO 0.72 0.14 1.32 -2.84 0.41 0.00 0.00 173.24 173.00 1jha s PRO 81 N -1.35 4.08 0.42 12.44 0.02 -1.26 -4.88 135.00 144.46 1jha s PRO 81 Ca 0.40 2.22 0.18 0.00 0.02 0.00 0.00 61.00 63.82 1jha s PRO 81 Cb -0.23 -2.86 1.10 0.00 0.02 0.00 0.00 34.50 32.53 1jha s PRO 81 CO 0.28 -0.43 1.84 -0.22 -0.33 0.00 0.00 177.00 178.14 1jha h LYS 82 N 2.88 0.38 0.00 5.54 3.64 -1.95 -0.95 116.57 126.12 1jha h LYS 82 Ca -0.50 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1jha h LYS 82 Cb 1.24 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1jha h LYS 82 CO 0.63 0.25 -0.02 0.97 -2.27 0.00 0.00 179.45 179.02 1jha h ILE 83 N 0.40 0.12 -0.76 2.00 2.10 -1.95 -2.90 117.51 116.53 1jha h ILE 83 Ca 0.49 -0.22 0.16 0.00 1.08 0.00 0.00 64.86 66.37 1jha h ILE 83 Cb 1.24 1.19 -0.05 0.00 -1.09 0.00 0.00 36.82 38.11 1jha h ILE 83 CO -0.19 0.02 0.51 0.58 -1.08 0.00 0.00 178.15 177.99 1jha h VAL 84 N 0.00 0.77 0.06 2.19 2.07 -1.53 -1.43 116.25 118.37 1jha h VAL 84 Ca -0.00 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1jha h VAL 84 Cb 0.19 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1jha h VAL 84 CO 0.00 0.07 -0.16 0.74 0.02 0.00 0.00 177.57 178.24 1jha h THR 85 N 0.36 0.63 -0.67 2.57 2.02 -1.73 -0.33 112.91 115.76 1jha h THR 85 Ca 0.37 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.52 1jha h THR 85 Cb 0.93 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1jha h THR 85 CO -0.11 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.08 1jha h ALA 86 N 0.59 0.86 0.20 6.16 0.00 -1.56 0.28 119.26 125.79 1jha h ALA 86 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jha h ALA 86 Cb 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jha h ALA 86 CO -0.11 0.45 -0.10 0.82 0.00 0.00 0.00 179.25 180.31 1jha h ILE 87 N 0.93 0.87 -0.30 0.00 2.04 -1.05 -1.73 117.51 118.27 1jha h ILE 87 Ca 0.23 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1jha h ILE 87 Cb 0.15 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1jha h ILE 87 CO -0.03 0.07 0.00 1.56 0.00 0.00 0.00 178.15 179.76 1jha h GLN 88 N -0.43 0.46 -0.47 2.37 1.08 -1.04 -0.13 115.11 116.96 1jha h GLN 88 Ca -0.03 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1jha h GLN 88 Cb 0.33 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1jha h GLN 88 CO 0.04 0.49 0.29 0.00 -0.95 0.00 0.00 178.83 178.71 1jha h ALA 89 N 1.56 0.60 -0.43 3.87 0.00 -0.77 0.85 119.26 124.93 1jha h ALA 89 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jha h ALA 89 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1jha h ALA 89 CO 0.01 0.08 0.18 0.00 0.00 0.00 0.00 179.25 179.51 1jha h ALA 90 N 1.15 0.56 -0.59 0.00 0.00 -0.37 -2.43 119.26 117.58 1jha h ALA 90 Ca 0.17 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1jha h ALA 90 Cb -0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1jha h ALA 90 CO -0.03 0.16 0.40 -0.91 0.00 0.00 0.00 179.25 178.86 1jha h ASN 91 N 0.55 0.37 -0.74 0.00 2.35 -0.46 0.29 115.58 117.94 1jha h ASN 91 Ca 0.14 0.01 0.13 0.00 -0.55 0.00 0.00 56.30 56.03 1jha h ASN 91 Cb 0.18 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 1jha h ASN 91 CO -0.01 0.23 0.49 0.24 -1.65 0.00 0.00 177.43 176.72 1jha h MET 92 N 0.42 0.48 0.00 0.81 2.86 -0.33 0.11 114.93 119.28 1jha h MET 92 Ca 0.27 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1jha h MET 92 Cb 0.51 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1jha h MET 92 CO -0.07 0.32 0.00 1.79 1.06 0.00 0.00 176.91 180.01 1jha h THR 93 N 0.50 0.00 -0.01 2.22 1.35 -0.46 -3.08 112.91 113.43 1jha h THR 93 Ca 0.35 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1jha h THR 93 Cb 0.69 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1jha h THR 93 CO -0.12 0.00 -0.47 0.54 -0.25 0.00 0.00 175.52 175.22 1jha n ARG 94 N -2.89 0.97 -1.45 4.72 1.74 0.33 -4.98 116.66 115.11 1jha n ARG 94 Ca 0.02 -0.76 -0.06 0.00 -0.77 0.00 0.00 57.85 56.28 1jha n ARG 94 Cb 0.36 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 1jha n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jha n GLY 95 N 1.41 0.65 0.24 -0.13 0.00 -0.89 -4.94 105.19 101.53 1jha n GLY 95 Ca 0.09 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.49 1jha n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jha n THR 96 N -3.16 0.00 -1.71 2.61 -2.24 -1.21 -4.36 114.28 104.21 1jha n THR 96 Ca -0.07 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 1jha n THR 96 Cb 0.31 1.13 0.08 0.00 -2.10 0.00 0.00 70.33 69.74 1jha n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jha s THR 97 N -2.62 3.03 0.17 4.28 -4.23 -1.26 -4.89 115.64 110.11 1jha s THR 97 Ca 0.13 0.33 -0.15 0.00 -1.18 0.00 0.00 61.69 60.82 1jha s THR 97 Cb 0.16 -3.20 0.05 0.00 1.34 0.00 0.00 72.50 70.86 1jha s THR 97 CO 0.68 -0.44 1.83 1.23 -0.54 0.00 0.00 174.62 177.39 1jha h GLY 98 N -0.96 0.70 1.06 3.99 0.00 -1.97 -1.89 103.07 104.00 1jha h GLY 98 Ca -0.46 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 1jha h GLY 98 CO 0.62 0.26 0.32 -0.24 0.00 0.00 0.00 176.54 177.50 1jha h VAL 99 N 0.67 1.26 -0.14 4.60 3.04 -1.87 -2.10 116.25 121.71 1jha h VAL 99 Ca 0.18 -0.82 0.03 0.00 -1.01 0.00 0.00 66.70 65.08 1jha h VAL 99 Cb -0.08 0.30 -0.03 0.00 -2.01 0.00 0.00 31.29 29.47 1jha h VAL 99 CO -0.04 0.34 -0.04 0.00 -1.01 0.00 0.00 177.57 176.81 1jha h VAL 101 N -0.01 1.23 -0.12 0.00 2.07 -1.25 -0.94 116.25 117.22 1jha h VAL 101 Ca 0.07 -0.69 -0.18 0.00 0.82 0.00 0.00 66.70 66.72 1jha h VAL 101 Cb 0.12 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1jha h VAL 101 CO -0.16 0.28 -0.67 -0.07 0.02 0.00 0.00 177.57 176.98 1jha h LEU 102 N 0.90 0.57 -0.22 2.57 3.38 -1.16 -2.46 115.31 118.89 1jha h LEU 102 Ca 0.22 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1jha h LEU 102 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1jha h LEU 102 CO -0.02 1.08 0.07 0.00 0.09 0.00 0.00 178.44 179.66 1jha h ALA 103 N 0.92 0.29 -0.87 1.53 0.00 -0.43 -2.04 119.26 118.66 1jha h ALA 103 Ca -0.02 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1jha h ALA 103 Cb 1.23 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1jha h ALA 103 CO 0.12 -0.10 0.53 0.00 0.00 0.00 0.00 179.25 179.81 1jha h ALA 104 N 0.90 1.22 -0.20 0.00 0.00 -1.13 0.24 119.26 120.30 1jha h ALA 104 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1jha h ALA 104 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jha h ALA 104 CO -0.00 0.24 -0.09 0.37 0.00 0.00 0.00 179.25 179.76 1jha h GLN 105 N 0.94 0.31 -0.01 0.00 5.75 -1.23 -2.14 115.11 118.72 1jha h GLN 105 Ca 0.40 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1jha h GLN 105 Cb 0.25 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1jha h GLN 105 CO -0.20 0.41 -0.14 0.00 -2.65 0.00 0.00 178.83 176.24 1jha n ALA 106 N -2.49 2.85 -1.84 3.38 0.00 0.08 -4.93 120.51 117.56 1jha n ALA 106 Ca -0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 53.44 52.99 1jha n ALA 106 Cb 0.25 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 1jha n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jha n GLY 107 N 1.27 0.35 3.77 0.00 0.00 0.43 -4.92 105.19 106.09 1jha n GLY 107 Ca 0.15 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1jha n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jha s ALA 108 N -2.35 3.55 -0.03 4.61 0.00 0.55 -4.60 121.76 123.49 1jha s ALA 108 Ca 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 50.82 1jha s ALA 108 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1jha s ALA 108 CO 0.00 0.74 0.40 0.15 0.00 0.00 0.00 175.76 177.05 1jha s LYS 109 N -2.24 3.99 -0.19 0.00 1.02 -0.18 -4.09 119.74 118.05 1jha s LYS 109 Ca 0.28 0.38 -0.14 0.00 0.02 0.00 0.00 55.97 56.51 1jha s LYS 109 Cb -0.12 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1jha s LYS 109 CO 0.20 0.58 0.30 0.08 -0.92 0.00 0.00 175.35 175.59 1jha s VAL 110 N -0.71 5.28 -0.25 3.17 1.01 -1.26 -0.10 120.40 127.55 1jha s VAL 110 Ca 0.23 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 1jha s VAL 110 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1jha s VAL 110 CO 0.12 0.34 -0.01 -1.00 0.00 0.00 0.00 175.10 174.54 1jha s HIS 111 N 0.85 3.04 -0.22 5.22 3.76 0.13 -4.92 115.29 123.14 1jha s HIS 111 Ca 0.15 -1.08 -0.15 0.00 -0.15 0.00 0.00 55.06 53.84 1jha s HIS 111 Cb -0.14 -2.14 -0.04 0.00 1.11 0.00 0.00 32.58 31.38 1jha s HIS 111 CO 0.05 -0.59 0.35 0.08 -0.85 0.00 0.00 174.74 173.77 1jha s VAL 112 N 1.45 5.23 -0.13 -0.90 1.01 -1.26 -0.40 120.40 125.40 1jha s VAL 112 Ca 0.04 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.61 1jha s VAL 112 Cb -0.16 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1jha s VAL 112 CO -0.02 0.26 -0.18 -0.63 0.00 0.00 0.00 175.10 174.53 1jha s ILE 113 N 1.36 1.79 -0.49 2.22 1.01 0.11 -0.68 121.20 126.52 1jha s ILE 113 Ca 0.16 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 1jha s ILE 113 Cb -0.15 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.75 1jha s ILE 113 CO 0.07 0.50 0.77 -0.62 0.00 0.00 0.00 174.94 175.66 1jha s ASP 114 N 0.97 6.34 0.00 3.58 3.68 0.11 -0.42 116.67 130.93 1jha s ASP 114 Ca -0.05 -0.38 0.20 0.00 2.13 0.00 0.00 52.55 54.45 1jha s ASP 114 Cb -0.15 -2.37 0.07 0.00 -1.45 0.00 0.00 42.92 39.03 1jha s ASP 114 CO -0.03 -0.97 1.05 1.33 0.13 0.00 0.00 175.17 176.68 1jha n VAL 115 N 6.00 0.00 0.00 1.11 0.24 -0.12 -0.47 118.33 125.09 1jha n VAL 115 Ca -0.00 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1jha n VAL 115 Cb 0.47 1.32 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 1jha n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jha n GLY 116 N 1.22 0.00 3.75 7.63 0.00 -1.12 -1.17 105.19 115.50 1jha n GLY 116 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1jha n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jha s ILE 117 N 0.00 3.59 -1.24 -0.61 1.01 -1.26 -1.15 121.20 121.54 1jha s ILE 117 Ca 0.00 1.52 -0.11 0.00 0.00 0.00 0.00 60.65 62.06 1jha s ILE 117 Cb 0.00 -3.97 0.18 0.00 0.01 0.00 0.00 42.46 38.68 1jha s ILE 117 CO 0.00 0.33 1.67 -0.67 0.00 0.00 0.00 174.94 176.27 1jha n ASP 118 N 1.58 5.22 -3.61 3.58 4.64 -1.26 -4.25 116.55 122.44 1jha n ASP 118 Ca 0.00 -3.07 -0.02 0.00 -1.38 0.00 0.00 54.79 50.32 1jha n ASP 118 Cb 0.45 -1.50 -0.00 0.00 -1.04 0.00 0.00 41.12 39.03 1jha n ASP 118 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jha s ALA 119 N 0.63 -1.79 0.66 -1.67 0.00 -1.26 -4.99 121.76 113.34 1jha s ALA 119 Ca 0.40 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 1jha s ALA 119 Cb 0.04 0.63 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 1jha s ALA 119 CO 0.01 -1.06 1.13 -1.21 0.00 0.00 0.00 175.76 174.63 1jha s GLU 120 N -2.72 2.74 0.55 0.00 2.02 -1.26 -4.94 118.70 115.09 1jha s GLU 120 Ca 0.16 1.50 -0.20 0.00 0.02 0.00 0.00 54.97 56.45 1jha s GLU 120 Cb -0.00 -1.93 -0.07 0.00 0.10 0.00 0.00 34.13 32.22 1jha s GLU 120 CO 0.02 -1.31 0.97 -2.30 0.02 0.00 0.00 175.26 172.66 1jha n PRO 121 N -2.32 1.06 -3.85 0.39 -0.02 -1.26 -4.97 135.00 124.03 1jha n PRO 121 Ca 0.11 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 1jha n PRO 121 Cb 0.51 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 1jha n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jha s ILE 122 N -1.45 3.68 0.34 4.25 1.01 -1.26 -5.07 121.20 122.71 1jha s ILE 122 Ca 0.71 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 1jha s ILE 122 Cb -0.46 -2.70 -0.11 0.00 0.01 0.00 0.00 42.46 39.20 1jha s ILE 122 CO 0.51 0.39 1.52 -2.65 0.00 0.00 0.00 174.94 174.70 1jha n PRO 123 N 4.84 2.65 0.00 2.79 -0.02 -1.26 -1.86 135.00 142.15 1jha n PRO 123 Ca -0.17 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1jha n PRO 123 Cb 0.51 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1jha n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jha n GLY 124 N 1.09 3.20 3.82 -1.23 0.00 -1.26 -5.03 105.19 105.78 1jha n GLY 124 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1jha n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jha s VAL 125 N -2.66 5.05 0.11 1.61 1.01 -0.77 -4.89 120.40 119.84 1jha s VAL 125 Ca 0.00 0.84 -0.31 0.00 0.00 0.00 0.00 61.98 62.51 1jha s VAL 125 Cb 0.00 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 1jha s VAL 125 CO 0.00 0.55 1.58 -0.69 0.00 0.00 0.00 175.10 176.54 1jha s VAL 126 N -0.88 2.94 -0.42 2.92 1.01 0.15 -4.84 120.40 121.28 1jha s VAL 126 Ca 0.24 0.55 -0.19 0.00 0.00 0.00 0.00 61.98 62.58 1jha s VAL 126 Cb -0.16 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1jha s VAL 126 CO 0.13 0.02 0.56 0.21 0.00 0.00 0.00 175.10 176.01 1jha s ASN 127 N 1.73 6.28 -0.01 3.32 3.84 -1.26 0.08 114.94 128.91 1jha s ASN 127 Ca 0.71 -0.41 0.26 0.00 0.21 0.00 0.00 52.86 53.63 1jha s ASN 127 Cb -0.41 -2.28 0.43 0.00 -0.55 0.00 0.00 41.25 38.45 1jha s ASN 127 CO 0.31 -0.67 1.17 0.23 -2.79 0.00 0.00 177.10 175.35 1jha n MET 128 N 5.97 0.07 -1.69 0.43 2.81 0.38 -4.97 117.12 120.12 1jha n MET 128 Ca -0.04 -2.06 -0.45 0.00 -1.81 0.00 0.00 57.70 53.34 1jha n MET 128 Cb 0.48 -0.07 -0.04 0.00 -0.71 0.00 0.00 33.22 32.89 1jha n MET 128 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1jha n ARG 129 N 0.45 2.45 -0.06 0.03 1.85 -0.26 -4.39 116.66 116.73 1jha n ARG 129 Ca 0.06 0.89 -0.18 0.00 -1.00 0.00 0.00 57.85 57.62 1jha n ARG 129 Cb 1.14 -2.72 -0.13 0.00 -1.05 0.00 0.00 32.46 29.70 1jha n ARG 129 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1jha h VAL 130 N 4.23 1.37 -2.97 8.89 2.07 -1.43 -3.47 116.25 124.94 1jha h VAL 130 Ca -0.46 -2.31 0.04 0.00 0.82 0.00 0.00 66.70 64.79 1jha h VAL 130 Cb 1.24 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 33.87 1jha h VAL 130 CO 0.93 0.53 0.26 0.00 0.02 0.00 0.00 177.57 179.31 1jha s ALA 131 N -2.32 -1.05 -1.33 1.67 0.00 -1.26 -5.05 121.76 112.41 1jha s ALA 131 Ca -0.22 -0.47 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 1jha s ALA 131 Cb 0.01 0.77 0.08 0.00 0.00 0.00 0.00 23.12 23.98 1jha s ALA 131 CO 0.68 -1.02 1.84 0.54 0.00 0.00 0.00 175.76 177.80 1jha n ARG 132 N -0.49 3.15 0.00 0.00 1.74 -1.26 -4.10 116.66 115.70 1jha n ARG 132 Ca -0.06 -3.19 0.00 0.00 -0.77 0.00 0.00 57.85 53.83 1jha n ARG 132 Cb 0.59 -3.36 0.00 0.00 -1.02 0.00 0.00 32.46 28.67 1jha n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jha n GLY 133 N 4.77 -1.43 3.95 -0.13 0.00 -0.55 -4.64 105.19 107.17 1jha n GLY 133 Ca 0.48 -1.46 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 1jha n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jha s GLY 135 N -4.30 1.79 -0.62 0.00 0.00 0.15 -0.82 107.32 103.52 1jha s GLY 135 Ca 0.52 0.62 -0.28 0.00 0.00 0.00 0.00 44.72 45.58 1jha s GLY 135 CO 0.39 1.03 1.21 0.21 0.00 0.00 0.00 173.10 175.95 1jha s ASN 136 N -2.62 6.38 0.64 1.64 3.84 -1.26 -3.79 114.94 119.77 1jha s ASN 136 Ca 0.68 -0.04 0.38 0.00 0.21 0.00 0.00 52.86 54.09 1jha s ASN 136 Cb -0.24 -2.55 2.13 0.00 -0.55 0.00 0.00 41.25 40.04 1jha s ASN 136 CO 0.56 -1.57 2.27 0.16 -2.79 0.00 0.00 177.10 175.73 1jha h ILE 137 N 6.13 0.16 0.00 -5.21 3.07 -1.83 -1.91 117.51 117.92 1jha h ILE 137 Ca -0.26 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.13 1jha h ILE 137 Cb 1.05 0.94 -0.00 0.00 -0.27 0.00 0.00 36.82 38.54 1jha h ILE 137 CO 1.21 0.00 -0.11 0.00 -1.05 0.00 0.00 178.15 178.20 1jha h ALA 138 N 1.89 1.34 -0.00 0.16 0.00 -1.91 -3.19 119.26 117.56 1jha h ALA 138 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jha h ALA 138 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jha h ALA 138 CO -0.00 0.14 -0.00 1.33 0.00 0.00 0.00 179.25 180.72 1jha n VAL 139 N -3.71 0.00 -3.12 0.00 0.24 -0.76 -4.40 118.33 106.58 1jha n VAL 139 Ca -0.02 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1jha n VAL 139 Cb 0.22 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 1jha n VAL 139 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jha n GLY 140 N 0.19 -1.06 3.84 7.63 0.00 -0.96 -5.04 105.19 109.79 1jha n GLY 140 Ca 0.00 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 1jha n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jha s PRO 141 N -0.24 3.93 0.26 1.61 0.04 -1.26 -3.67 135.00 135.67 1jha s PRO 141 Ca 0.00 0.94 0.01 0.00 0.04 0.00 0.00 61.00 61.99 1jha s PRO 141 Cb 0.00 -2.13 0.35 0.00 0.04 0.00 0.00 34.50 32.75 1jha s PRO 141 CO 0.00 -0.29 1.69 0.00 0.04 0.00 0.00 177.00 178.44 1jha h ALA 142 N 0.83 1.03 -2.50 8.56 0.00 -0.67 -3.39 119.26 123.12 1jha h ALA 142 Ca -0.47 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.18 1jha h ALA 142 Cb 1.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1jha h ALA 142 CO 0.61 0.58 0.44 0.00 0.00 0.00 0.00 179.25 180.89 1jha n MET 143 N -4.11 0.64 -2.71 0.00 0.00 -0.54 -0.67 117.12 109.72 1jha n MET 143 Ca -0.00 -1.39 -0.29 0.00 0.00 0.00 0.00 57.70 56.02 1jha n MET 143 Cb 0.42 1.84 -0.01 0.00 0.00 0.00 0.00 33.22 35.47 1jha n MET 143 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1jha s SER 144 N -2.99 6.36 0.32 3.17 1.04 -1.26 -4.48 113.70 115.87 1jha s SER 144 Ca 0.18 1.01 0.01 0.00 0.48 0.00 0.00 55.95 57.63 1jha s SER 144 Cb -0.03 -2.28 0.55 0.00 0.10 0.00 0.00 66.02 64.36 1jha s SER 144 CO 0.06 -0.51 1.96 -0.09 0.98 0.00 0.00 173.24 175.64 1jha h ARG 145 N 0.64 0.96 0.12 4.02 2.43 -1.93 -2.06 114.38 118.56 1jha h ARG 145 Ca -0.47 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1jha h ARG 145 Cb 1.20 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1jha h ARG 145 CO 0.63 0.64 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.54 1jha h LEU 146 N 0.99 -0.30 -0.94 3.80 3.38 -1.99 -0.43 115.31 119.82 1jha h LEU 146 Ca 0.32 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.39 1jha h LEU 146 Cb 0.03 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1jha h LEU 146 CO -0.09 -0.18 0.59 1.56 0.09 0.00 0.00 178.44 180.42 1jha h GLN 147 N -0.25 1.02 -0.14 1.13 4.20 -1.84 -0.41 115.11 118.81 1jha h GLN 147 Ca 0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1jha h GLN 147 Cb 0.24 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1jha h GLN 147 CO -0.03 0.67 -0.02 0.00 -0.67 0.00 0.00 178.83 178.78 1jha h ALA 148 N 1.45 0.20 -0.74 3.87 0.00 -0.99 -2.06 119.26 120.98 1jha h ALA 148 Ca 0.42 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1jha h ALA 148 Cb 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1jha h ALA 148 CO -0.20 -0.07 0.48 0.93 0.00 0.00 0.00 179.25 180.40 1jha h GLU 149 N -0.02 0.94 -0.64 0.00 5.08 -0.70 0.05 114.58 119.29 1jha h GLU 149 Ca 0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1jha h GLU 149 Cb 0.43 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1jha h GLU 149 CO 0.01 0.62 0.19 0.00 -1.00 0.00 0.00 179.01 178.83 1jha h ALA 150 N 1.29 0.84 -0.50 3.43 0.00 -0.99 -1.35 119.26 121.97 1jha h ALA 150 Ca 0.28 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1jha h ALA 150 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1jha h ALA 150 CO -0.08 0.52 -0.05 1.25 0.00 0.00 0.00 179.25 180.89 1jha h LEU 151 N 0.92 0.92 -0.53 0.00 5.85 -1.05 -0.17 115.31 121.25 1jha h LEU 151 Ca 0.20 -0.33 0.09 0.00 0.84 0.00 0.00 57.88 58.69 1jha h LEU 151 Cb 0.31 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 1jha h LEU 151 CO -0.00 1.03 0.11 -0.07 -0.34 0.00 0.00 178.44 179.17 1jha h LEU 152 N 0.79 0.01 0.23 2.25 3.38 -0.69 0.43 115.31 121.70 1jha h LEU 152 Ca 0.14 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1jha h LEU 152 Cb 0.59 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1jha h LEU 152 CO 0.04 0.03 -0.11 -0.07 0.09 0.00 0.00 178.44 178.41 1jha h LEU 153 N 0.25 -0.26 -0.60 1.67 3.38 -0.94 -1.19 115.31 117.62 1jha h LEU 153 Ca 0.27 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1jha h LEU 153 Cb 0.37 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1jha h LEU 153 CO -0.35 -0.09 0.39 -0.08 0.09 0.00 0.00 178.44 178.40 1jha h GLU 154 N -0.41 0.78 -0.36 1.13 4.81 -0.76 -1.96 114.58 117.82 1jha h GLU 154 Ca -0.03 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 1jha h GLU 154 Cb 0.31 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1jha h GLU 154 CO 0.05 0.52 -0.21 0.28 -0.73 0.00 0.00 179.01 178.92 1jha h VAL 155 N 0.80 1.29 -0.89 0.32 2.07 -0.89 -2.28 116.25 116.67 1jha h VAL 155 Ca 0.22 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.43 1jha h VAL 155 Cb -0.09 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1jha h VAL 155 CO -0.05 0.44 0.58 0.77 0.02 0.00 0.00 177.57 179.34 1jha h SER 156 N 0.55 0.97 -0.04 0.57 4.64 -1.10 -1.08 113.55 118.06 1jha h SER 156 Ca 0.07 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1jha h SER 156 Cb 0.76 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1jha h SER 156 CO 0.06 0.67 -0.01 0.03 -0.87 0.00 0.00 176.83 176.72 1jha h ARG 157 N 1.13 0.08 -0.99 4.77 3.08 -1.27 -1.79 114.38 119.38 1jha h ARG 157 Ca 0.35 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.46 1jha h ARG 157 Cb -0.01 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 1jha h ARG 157 CO -0.10 0.40 0.64 -0.92 -1.07 0.00 0.00 179.97 178.92 1jha h TYR 158 N -0.26 1.15 0.18 3.04 3.20 -1.10 -0.43 116.97 122.76 1jha h TYR 158 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1jha h TYR 158 Cb 0.37 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1jha h TYR 158 CO 0.05 0.53 -0.09 1.15 -1.64 0.00 0.00 178.16 178.16 1jha h THR 159 N 1.07 0.92 -0.31 1.81 2.02 -1.05 -2.78 112.91 114.59 1jha h THR 159 Ca 0.46 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1jha h THR 159 Cb 0.34 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1jha h THR 159 CO -0.21 0.11 -0.02 0.00 0.37 0.00 0.00 175.52 175.76 1jha h ASP 161 N 0.46 0.74 -0.31 0.00 2.03 -1.00 -1.05 116.42 117.28 1jha h ASP 161 Ca 0.10 -0.04 -0.02 0.00 -0.73 0.00 0.00 57.03 56.34 1jha h ASP 161 Cb 0.34 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 38.63 1jha h ASP 161 CO 0.01 0.57 0.13 -0.07 -1.03 0.00 0.00 179.24 178.85 1jha h LEU 162 N 0.86 0.48 -1.01 0.15 3.38 -1.16 -1.57 115.31 116.44 1jha h LEU 162 Ca 0.23 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1jha h LEU 162 Cb -0.04 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 1jha h LEU 162 CO -0.04 0.46 0.64 0.00 0.09 0.00 0.00 178.44 179.58 1jha h ALA 163 N 1.62 1.48 0.00 1.53 0.00 -1.17 0.27 119.26 122.99 1jha h ALA 163 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jha h ALA 163 Cb 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jha h ALA 163 CO -0.01 0.30 0.00 1.96 0.00 0.00 0.00 179.25 181.50 1jha h GLN 164 N 1.06 0.00 -0.70 0.00 4.20 -1.22 -1.53 115.11 116.92 1jha h GLN 164 Ca 0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.19 1jha h GLN 164 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1jha h GLN 164 CO -0.23 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.47 1jha n ARG 165 N -2.65 2.74 0.00 1.46 1.74 0.92 -4.94 116.66 115.94 1jha n ARG 165 Ca -0.02 -2.61 0.00 0.00 -0.77 0.00 0.00 57.85 54.46 1jha n ARG 165 Cb 0.09 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1jha n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jha n GLY 166 N 1.54 0.49 3.70 -0.13 0.00 -0.58 -5.00 105.19 105.22 1jha n GLY 166 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1jha n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jha s VAL 167 N -2.00 3.76 -0.16 1.61 1.01 -1.12 -1.67 120.40 121.82 1jha s VAL 167 Ca 0.00 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.23 1jha s VAL 167 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1jha s VAL 167 CO 0.00 0.05 0.15 0.35 0.00 0.00 0.00 175.10 175.65 1jha n THR 168 N 4.24 0.00 -3.74 3.92 -2.24 0.22 -4.30 114.28 112.39 1jha n THR 168 Ca 0.11 -0.41 -0.18 0.00 -2.27 0.00 0.00 64.05 61.31 1jha n THR 168 Cb 0.44 0.98 -0.17 0.00 -2.10 0.00 0.00 70.33 69.48 1jha n THR 168 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jha s LEU 169 N -2.20 0.66 0.19 3.22 2.96 -1.16 -4.13 118.68 118.22 1jha s LEU 169 Ca 0.01 0.05 0.09 0.00 -0.22 0.00 0.00 54.13 54.06 1jha s LEU 169 Cb 0.03 -0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 1jha s LEU 169 CO 0.14 -0.18 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.58 1jha s PHE 170 N 1.57 2.70 0.04 5.38 0.40 -0.70 -2.07 117.98 125.30 1jha s PHE 170 Ca -0.03 -0.20 0.07 0.00 -0.60 0.00 0.00 56.93 56.18 1jha s PHE 170 Cb -0.13 -1.30 -0.02 0.00 0.51 0.00 0.00 43.02 42.08 1jha s PHE 170 CO -0.03 0.53 -0.20 0.20 0.70 0.00 0.00 175.22 176.42 1jha s GLY 171 N -2.98 1.09 -0.04 4.36 0.00 -0.18 0.09 107.32 109.66 1jha s GLY 171 Ca 0.27 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 44.02 1jha s GLY 171 CO 0.17 -0.95 -0.25 0.54 0.00 0.00 0.00 173.10 172.61 1jha s VAL 172 N -0.78 2.09 0.31 1.40 0.11 -1.06 -1.37 120.40 121.10 1jha s VAL 172 Ca 0.07 -1.07 -0.09 0.00 -2.93 0.00 0.00 61.98 57.96 1jha s VAL 172 Cb -0.09 -1.74 0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1jha s VAL 172 CO 0.02 0.57 0.52 -0.83 -3.33 0.00 0.00 175.10 172.05 1jha s GLY 173 N -0.37 0.93 0.24 6.54 0.00 0.16 -4.14 107.32 110.68 1jha s GLY 173 Ca 0.03 -1.14 -0.08 0.00 0.00 0.00 0.00 44.72 43.53 1jha s GLY 173 CO 0.02 -0.74 0.37 -1.83 0.00 0.00 0.00 173.10 170.91 1jha s GLU 174 N -3.33 1.48 -0.28 2.90 4.04 -1.26 -1.31 118.70 120.94 1jha s GLU 174 Ca 0.25 -1.44 -0.07 0.00 0.04 0.00 0.00 54.97 53.75 1jha s GLU 174 Cb -0.01 0.40 0.14 0.00 0.02 0.00 0.00 34.13 34.68 1jha s GLU 174 CO 0.14 -0.58 0.58 -1.17 -1.84 0.00 0.00 175.26 172.39 1jha s LEU 175 N -3.09 -1.09 -0.30 1.83 2.96 -0.68 -2.29 118.68 116.01 1jha s LEU 175 Ca 0.29 1.22 -0.19 0.00 -0.22 0.00 0.00 54.13 55.23 1jha s LEU 175 Cb 0.02 2.04 0.18 0.00 0.50 0.00 0.00 46.19 48.92 1jha s LEU 175 CO 0.11 -0.24 1.27 -0.83 -1.32 0.00 0.00 176.35 175.34 1jha s GLY 176 N 2.82 0.03 0.22 7.98 0.00 -1.26 -1.50 107.32 115.61 1jha s GLY 176 Ca 0.03 3.30 -0.32 0.00 0.00 0.00 0.00 44.72 47.73 1jha s GLY 176 CO -0.18 3.89 1.64 1.03 0.00 0.00 0.00 173.10 179.48 1jha n MET 177 N 5.31 2.59 -0.91 2.90 2.81 -1.26 -1.31 117.12 127.25 1jha n MET 177 Ca -0.09 0.93 0.00 0.00 -1.81 0.00 0.00 57.70 56.73 1jha n MET 177 Cb 0.55 -2.73 0.00 0.00 -0.71 0.00 0.00 33.22 30.33 1jha n MET 177 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jha n ALA 178 N 3.25 0.00 0.29 3.04 0.00 -1.26 -4.30 120.51 121.53 1jha n ALA 178 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.73 1jha n ALA 178 Cb 0.34 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.50 1jha n ALA 178 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1jha h ASN 179 N 0.00 0.00 0.71 0.00 7.08 -1.58 -2.43 115.58 119.36 1jha h ASN 179 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1jha h ASN 179 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1jha h ASN 179 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.70 1jha n THR 180 N -2.60 0.84 0.05 6.14 -2.24 -1.26 -2.28 114.28 112.93 1jha n THR 180 Ca -0.00 0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.92 1jha n THR 180 Cb 0.16 -1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 67.19 1jha n THR 180 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1jha h THR 181 N 0.00 0.58 -0.64 4.28 2.02 -1.81 -1.37 112.91 115.97 1jha h THR 181 Ca 0.00 -1.11 0.06 0.00 0.77 0.00 0.00 66.41 66.14 1jha h THR 181 Cb 0.36 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1jha h THR 181 CO 0.00 0.16 0.42 -0.65 0.37 0.00 0.00 175.52 175.82 1jha h PRO 182 N -0.97 0.61 -0.30 6.66 0.10 -1.72 -0.68 132.00 135.70 1jha h PRO 182 Ca -0.02 -0.04 0.01 0.00 0.10 0.00 0.00 66.00 66.05 1jha h PRO 182 Cb 0.44 -0.14 -0.02 0.00 0.10 0.00 0.00 31.00 31.39 1jha h PRO 182 CO 0.04 0.41 0.19 0.00 0.10 0.00 0.00 178.00 178.74 1jha h ALA 183 N 1.65 0.38 -0.51 -0.75 0.00 -1.48 0.05 119.26 118.60 1jha h ALA 183 Ca 0.27 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1jha h ALA 183 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jha h ALA 183 CO -0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 179.25 179.00 1jha h ALA 184 N 1.12 1.03 -0.44 0.00 0.00 -0.17 -1.77 119.26 119.03 1jha h ALA 184 Ca 0.11 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1jha h ALA 184 Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1jha h ALA 184 CO -0.03 0.60 0.27 0.00 0.00 0.00 0.00 179.25 180.08 1jha h ALA 185 N 1.19 0.56 -0.36 0.00 0.00 -0.43 0.40 119.26 120.62 1jha h ALA 185 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jha h ALA 185 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jha h ALA 185 CO 0.02 -0.04 0.22 0.52 0.00 0.00 0.00 179.25 179.97 1jha h MET 186 N 0.54 0.44 -0.56 0.00 2.86 -0.81 -1.68 114.93 115.72 1jha h MET 186 Ca 0.17 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1jha h MET 186 Cb -0.01 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1jha h MET 186 CO -0.07 0.29 0.35 0.28 1.06 0.00 0.00 176.91 178.82 1jha h VAL 187 N 0.45 1.16 -0.18 -2.22 2.07 -0.92 0.62 116.25 117.23 1jha h VAL 187 Ca 0.14 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1jha h VAL 187 Cb -0.02 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1jha h VAL 187 CO -0.05 0.16 0.05 -1.28 0.02 0.00 0.00 177.57 176.47 1jha h SER 188 N 0.75 0.04 -0.10 0.57 0.87 -0.67 -0.92 113.55 114.10 1jha h SER 188 Ca 0.20 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1jha h SER 188 Cb -0.04 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1jha h SER 188 CO -0.04 0.05 0.06 0.58 -0.53 0.00 0.00 176.83 176.95 1jha h VAL 189 N 0.13 1.04 -0.43 2.23 2.07 -0.87 0.36 116.25 120.79 1jha h VAL 189 Ca 0.08 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 1jha h VAL 189 Cb 0.06 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1jha h VAL 189 CO -0.09 0.04 -0.20 -0.26 0.02 0.00 0.00 177.57 177.08 1jha h PHE 190 N 0.12 0.95 0.00 1.57 0.04 -0.76 -3.26 116.94 115.59 1jha h PHE 190 Ca 0.04 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1jha h PHE 190 Cb 0.01 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 37.93 1jha h PHE 190 CO -0.06 0.96 -1.12 0.25 -0.60 0.00 0.00 178.31 177.74 1jha n THR 191 N -4.12 0.23 -1.13 -1.55 -2.24 -0.36 -4.96 114.28 100.15 1jha n THR 191 Ca 0.00 -0.33 -0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1jha n THR 191 Cb 0.43 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 1jha n THR 191 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jha n GLY 192 N 1.32 0.73 3.86 3.38 0.00 0.13 -5.02 105.19 109.59 1jha n GLY 192 Ca 0.01 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 1jha n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jha s SER 193 N -2.84 6.68 0.47 1.61 0.01 -1.09 -5.03 113.70 113.51 1jha s SER 193 Ca 0.00 1.10 -0.21 0.00 1.31 0.00 0.00 55.95 58.15 1jha s SER 193 Cb 0.00 -2.30 -0.08 0.00 0.21 0.00 0.00 66.02 63.84 1jha s SER 193 CO 0.00 -0.17 1.05 -0.62 0.41 0.00 0.00 173.24 173.92 1jha s ASP 194 N -2.40 6.38 0.31 2.44 2.15 -1.26 -4.58 116.67 119.71 1jha s ASP 194 Ca 0.51 1.99 0.07 0.00 0.43 0.00 0.00 52.55 55.55 1jha s ASP 194 Cb -0.11 -2.57 0.81 0.00 -0.30 0.00 0.00 42.92 40.76 1jha s ASP 194 CO 0.20 -0.75 1.74 0.00 -0.17 0.00 0.00 175.17 176.19 1jha h ALA 195 N 1.77 1.70 -0.35 3.66 0.00 -1.94 -0.95 119.26 123.14 1jha h ALA 195 Ca -0.49 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1jha h ALA 195 Cb 1.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1jha h ALA 195 CO 0.60 -0.20 0.14 1.57 0.00 0.00 0.00 179.25 181.36 1jha h LYS 196 N 0.62 0.49 0.00 0.00 -0.00 -1.91 -1.08 116.57 114.69 1jha h LYS 196 Ca 0.61 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 61.20 1jha h LYS 196 Cb 1.09 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 33.22 1jha h LYS 196 CO -0.45 0.41 0.00 1.05 -0.00 0.00 0.00 179.45 180.46 1jha h GLU 197 N 0.49 0.00 0.00 0.07 -0.00 -1.54 -3.29 114.58 110.31 1jha h GLU 197 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.48 1jha h GLU 197 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.85 1jha h GLU 197 CO -0.01 0.00 -0.14 0.28 -0.00 0.00 0.00 179.01 179.14 1jha n VAL 198 N -2.70 0.00 -2.88 -1.06 0.31 -0.83 -4.32 118.33 106.85 1jha n VAL 198 Ca 0.01 -0.43 -0.41 0.00 -0.01 0.00 0.00 64.34 63.49 1jha n VAL 198 Cb 0.27 0.94 -0.04 0.00 -0.91 0.00 0.00 33.84 34.10 1jha n VAL 198 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1jha s VAL 199 N -1.16 4.87 0.12 2.52 1.01 -0.47 -3.51 120.40 123.77 1jha s VAL 199 Ca 0.00 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.62 1jha s VAL 199 Cb 0.00 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1jha s VAL 199 CO 0.02 0.00 0.07 0.61 0.00 0.00 0.00 175.10 175.81 1jha n GLY 200 N 3.51 3.19 0.00 4.51 0.00 -1.26 -4.82 105.19 110.32 1jha n GLY 200 Ca 0.05 -2.21 0.14 0.00 0.00 0.00 0.00 46.02 44.00 1jha n GLY 200 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jha n ILE 201 N -0.69 0.07 -1.09 -0.61 -5.35 -1.26 -4.95 119.36 105.49 1jha n ILE 201 Ca -0.01 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1jha n ILE 201 Cb 0.14 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 1jha n ILE 201 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jha n GLY 202 N 1.20 2.91 3.39 3.28 0.00 -1.26 0.64 105.19 115.34 1jha n GLY 202 Ca 0.12 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 1jha n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jha n ALA 203 N 9.19 4.06 -3.58 4.61 0.00 -1.26 -4.50 120.51 129.03 1jha n ALA 203 Ca 0.00 -4.21 -0.22 0.00 0.00 0.00 0.00 53.44 49.00 1jha n ALA 203 Cb 0.00 -3.10 0.08 0.00 0.00 0.00 0.00 19.45 16.42 1jha n ALA 203 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jha n ASN 204 N 5.68 -4.77 -4.73 0.00 3.02 -1.16 -4.71 115.26 108.58 1jha n ASN 204 Ca 0.39 -0.60 -0.41 0.00 -0.03 0.00 0.00 54.58 53.93 1jha n ASN 204 Cb 0.42 -4.92 -0.03 0.00 -0.61 0.00 0.00 39.78 34.64 1jha n ASN 204 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jha s LEU 205 N -7.01 4.41 0.29 3.41 2.96 0.21 -4.90 118.68 118.05 1jha s LEU 205 Ca 0.40 2.37 -0.30 0.00 -0.22 0.00 0.00 54.13 56.38 1jha s LEU 205 Cb -0.18 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 42.79 1jha s LEU 205 CO 0.74 -0.53 1.61 -2.84 -1.32 0.00 0.00 176.35 174.02 1jha s PRO 206 N 0.04 4.11 0.43 0.98 0.02 -1.26 -4.84 135.00 134.48 1jha s PRO 206 Ca 0.57 2.60 0.24 0.00 0.02 0.00 0.00 61.00 64.43 1jha s PRO 206 Cb -0.36 -3.02 1.26 0.00 0.02 0.00 0.00 34.50 32.40 1jha s PRO 206 CO 0.37 -0.65 1.72 -1.00 -0.33 0.00 0.00 177.00 177.11 1jha h PRO 207 N 5.01 0.24 0.00 5.54 0.13 -1.99 0.58 132.00 141.52 1jha h PRO 207 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jha h PRO 207 Cb 1.22 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1jha h PRO 207 CO 0.81 0.16 0.00 0.66 -0.23 0.00 0.00 178.00 179.40 1jha h SER 208 N 0.25 0.00 0.04 1.44 4.64 -2.03 -2.75 113.55 115.14 1jha h SER 208 Ca 0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1jha h SER 208 Cb 1.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 1jha h SER 208 CO -0.31 0.00 -0.12 0.54 -0.87 0.00 0.00 176.83 176.08 1jha n ARG 209 N -2.89 1.57 0.12 4.77 1.74 0.20 -4.46 116.66 117.72 1jha n ARG 209 Ca 0.00 -1.08 -0.13 0.00 -0.77 0.00 0.00 57.85 55.88 1jha n ARG 209 Cb 0.24 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 1jha n ARG 209 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1jha h ILE 210 N 2.63 0.56 -0.77 0.55 1.08 -1.50 -2.90 117.51 117.17 1jha h ILE 210 Ca 0.00 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.65 1jha h ILE 210 Cb 0.64 0.56 -0.13 0.00 -3.07 0.00 0.00 36.82 34.83 1jha h ILE 210 CO 0.00 0.00 0.05 0.44 -0.69 0.00 0.00 178.15 177.95 1jha h ASP 211 N -0.40 -0.28 -0.48 1.72 3.45 -1.81 0.30 116.42 118.92 1jha h ASP 211 Ca 0.01 0.19 0.02 0.00 0.43 0.00 0.00 57.03 57.69 1jha h ASP 211 Cb 0.40 0.32 -0.03 0.00 -0.56 0.00 0.00 39.33 39.46 1jha h ASP 211 CO -0.08 -0.17 0.28 -1.13 -1.57 0.00 0.00 179.24 176.57 1jha h ASN 212 N 0.13 0.44 -0.92 6.45 -1.24 -1.83 -0.30 115.58 118.31 1jha h ASN 212 Ca 0.43 0.01 0.06 0.00 0.71 0.00 0.00 56.30 57.51 1jha h ASN 212 Cb 0.77 -0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.67 1jha h ASN 212 CO -0.65 0.32 0.58 0.50 -1.29 0.00 0.00 177.43 176.89 1jha h LYS 213 N 0.56 1.03 -0.54 6.67 3.64 -0.28 -0.23 116.57 127.41 1jha h LYS 213 Ca 0.19 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1jha h LYS 213 Cb 0.03 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1jha h LYS 213 CO -0.09 0.68 0.01 0.28 -2.27 0.00 0.00 179.45 178.05 1jha h VAL 214 N 1.06 1.25 -0.25 2.00 2.07 -0.49 -1.83 116.25 120.05 1jha h VAL 214 Ca 0.40 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1jha h VAL 214 Cb 0.17 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1jha h VAL 214 CO -0.17 0.38 0.06 0.44 0.02 0.00 0.00 177.57 178.29 1jha h ASP 215 N 0.84 0.39 -0.59 0.57 3.32 0.08 -1.70 116.42 119.33 1jha h ASP 215 Ca 0.16 -0.24 0.05 0.00 0.02 0.00 0.00 57.03 57.02 1jha h ASP 215 Cb 0.48 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1jha h ASP 215 CO 0.02 0.53 0.32 0.58 -1.72 0.00 0.00 179.24 178.97 1jha h VAL 216 N 0.23 0.99 -0.07 -1.35 2.07 -0.98 0.18 116.25 117.32 1jha h VAL 216 Ca 0.08 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1jha h VAL 216 Cb 0.30 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1jha h VAL 216 CO 0.00 0.11 0.05 0.58 0.02 0.00 0.00 177.57 178.33 1jha h VAL 217 N 0.62 1.04 -0.69 2.57 2.07 -1.16 -0.70 116.25 119.99 1jha h VAL 217 Ca 0.25 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.74 1jha h VAL 217 Cb 0.13 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1jha h VAL 217 CO -0.15 0.04 0.36 0.03 0.02 0.00 0.00 177.57 177.87 1jha h ARG 218 N 0.07 0.63 -0.57 1.57 3.08 -0.87 -1.96 114.38 116.34 1jha h ARG 218 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1jha h ARG 218 Cb 0.02 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1jha h ARG 218 CO -0.01 0.42 0.30 0.00 -1.07 0.00 0.00 179.97 179.61 1jha h ARG 219 N 0.65 0.80 -0.91 0.04 3.08 -0.67 -0.01 114.38 117.36 1jha h ARG 219 Ca 0.32 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.33 1jha h ARG 219 Cb 0.26 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1jha h ARG 219 CO -0.22 0.62 0.58 0.00 -1.07 0.00 0.00 179.97 179.88 1jha h ALA 220 N 1.13 1.26 -0.02 0.04 0.00 -0.41 0.19 119.26 121.44 1jha h ALA 220 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1jha h ALA 220 Cb 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1jha h ALA 220 CO -0.03 0.34 -0.02 0.82 0.00 0.00 0.00 179.25 180.36 1jha h ILE 221 N 1.05 1.38 -0.33 0.00 2.04 -1.07 -1.72 117.51 118.86 1jha h ILE 221 Ca 0.39 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1jha h ILE 221 Cb 0.16 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1jha h ILE 221 CO -0.17 0.31 0.22 0.00 0.00 0.00 0.00 178.15 178.51 1jha h ALA 222 N 0.53 0.42 -0.47 1.87 0.00 -0.64 0.27 119.26 121.23 1jha h ALA 222 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1jha h ALA 222 Cb 0.52 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1jha h ALA 222 CO 0.01 -0.12 0.18 0.82 0.00 0.00 0.00 179.25 180.14 1jha h ILE 223 N 0.44 1.21 0.00 0.00 2.04 -0.67 -3.29 117.51 117.24 1jha h ILE 223 Ca 0.12 -0.65 -0.26 0.00 1.00 0.00 0.00 64.86 65.07 1jha h ILE 223 Cb -0.05 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1jha h ILE 223 CO -0.03 0.24 -1.44 0.78 0.00 0.00 0.00 178.15 177.71 1jha h ASN 224 N 0.62 0.00 -5.97 1.72 2.35 -1.21 -3.49 115.58 109.60 1jha h ASN 224 Ca 0.16 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.52 1jha h ASN 224 Cb 0.20 0.00 0.10 0.00 0.05 0.00 0.00 38.32 38.67 1jha h ASN 224 CO -0.01 0.98 -0.86 0.00 -1.65 0.00 0.00 177.43 175.90 1jha n GLN 225 N -3.15 -3.71 -2.13 0.81 1.13 0.07 -4.91 117.38 105.49 1jha n GLN 225 Ca -0.10 0.65 -0.38 0.00 -1.94 0.00 0.00 57.00 55.22 1jha n GLN 225 Cb 1.00 -5.12 -0.00 0.00 0.11 0.00 0.00 30.24 26.23 1jha n GLN 225 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1jha s PRO 226 N -5.64 3.83 -0.32 -1.09 0.04 -1.26 -4.97 135.00 125.59 1jha s PRO 226 Ca 0.19 1.99 -0.22 0.00 0.04 0.00 0.00 61.00 63.00 1jha s PRO 226 Cb -0.05 -2.58 -0.00 0.00 0.04 0.00 0.00 34.50 31.91 1jha s PRO 226 CO 0.80 -0.55 0.72 1.21 0.04 0.00 0.00 177.00 179.22 1jha s ASN 227 N -1.03 6.57 0.61 6.66 2.47 -1.26 -4.92 114.94 124.04 1jha s ASN 227 Ca 0.60 0.50 0.39 0.00 0.42 0.00 0.00 52.86 54.78 1jha s ASN 227 Cb -0.34 -2.37 1.93 0.00 -1.45 0.00 0.00 41.25 39.02 1jha s ASN 227 CO 0.42 -0.58 2.20 -0.65 -3.72 0.00 0.00 177.10 174.77 1jha h PRO 228 N 8.21 0.00 -0.21 0.43 0.11 -1.93 -1.10 132.00 137.51 1jha h PRO 228 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1jha h PRO 228 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jha h PRO 228 CO 0.85 0.01 0.00 0.54 -0.21 0.00 0.00 178.00 179.19 1jha n ARG 229 N -3.13 1.80 -3.66 1.05 3.00 -1.26 -4.52 116.66 109.94 1jha n ARG 229 Ca -0.01 -1.21 -0.29 0.00 -0.01 0.00 0.00 57.85 56.33 1jha n ARG 229 Cb 0.18 -1.39 -0.13 0.00 0.00 0.00 0.00 32.46 31.12 1jha n ARG 229 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1jha s ASP 230 N -1.48 3.46 0.34 0.55 -1.08 -0.42 -4.99 116.67 113.05 1jha s ASP 230 Ca 0.32 -2.58 0.11 0.00 -0.52 0.00 0.00 52.55 49.88 1jha s ASP 230 Cb 0.17 -0.90 0.92 0.00 -1.46 0.00 0.00 42.92 41.65 1jha s ASP 230 CO 0.25 -0.27 1.75 1.23 0.52 0.00 0.00 175.17 178.65 1jha h GLY 231 N 6.72 1.72 1.68 2.66 0.00 -1.79 0.41 103.07 114.47 1jha h GLY 231 Ca 0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1jha h GLY 231 CO 0.44 -0.19 -0.40 -2.22 0.00 0.00 0.00 176.54 174.17 1jha h ILE 232 N 0.56 1.30 -0.10 2.60 2.04 -1.92 -1.38 117.51 120.62 1jha h ILE 232 Ca 0.62 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1jha h ILE 232 Cb 1.25 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1jha h ILE 232 CO -0.42 0.46 0.04 -0.78 0.00 0.00 0.00 178.15 177.45 1jha h ASP 233 N 0.30 0.14 0.02 1.72 1.82 -0.54 -1.93 116.42 117.96 1jha h ASP 233 Ca 0.03 -0.17 -0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1jha h ASP 233 Cb 0.83 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.81 1jha h ASP 233 CO 0.07 0.27 -0.01 0.58 -1.61 0.00 0.00 179.24 178.54 1jha h VAL 234 N 0.00 1.07 -0.60 2.25 2.07 -1.02 -2.51 116.25 117.51 1jha h VAL 234 Ca 0.03 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1jha h VAL 234 Cb 0.18 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1jha h VAL 234 CO -0.00 0.07 0.32 -0.07 0.02 0.00 0.00 177.57 177.90 1jha h LEU 235 N -0.14 0.46 -0.95 2.57 3.38 -1.21 -0.84 115.31 118.57 1jha h LEU 235 Ca -0.00 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1jha h LEU 235 Cb 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1jha h LEU 235 CO 0.00 0.30 -0.23 0.77 0.09 0.00 0.00 178.44 179.38 1jha h SER 236 N 0.60 0.50 0.00 -0.43 4.64 -1.28 0.36 113.55 117.93 1jha h SER 236 Ca 0.27 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1jha h SER 236 Cb 0.18 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1jha h SER 236 CO -0.18 0.73 -0.20 0.11 -0.87 0.00 0.00 176.83 176.41 1jha h LYS 237 N 0.44 0.00 -0.06 4.77 1.57 -1.22 -1.28 116.57 120.78 1jha h LYS 237 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1jha h LYS 237 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1jha h LYS 237 CO 0.05 0.50 0.00 1.33 -0.57 0.00 0.00 179.45 180.75 1jha n VAL 238 N -4.66 1.25 -0.33 0.50 0.24 -0.34 -1.55 118.33 113.44 1jha n VAL 238 Ca -0.08 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 1jha n VAL 238 Cb 0.29 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 1jha n VAL 238 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jha n GLY 239 N -0.55 1.64 3.79 7.63 0.00 0.11 -4.54 105.19 113.27 1jha n GLY 239 Ca 0.06 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 1jha n GLY 239 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jha s GLY 240 N 0.00 -0.18 0.22 -0.02 0.00 -1.25 -4.75 107.32 101.34 1jha s GLY 240 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 44.72 44.49 1jha s GLY 240 CO 0.00 -0.04 1.84 0.74 0.00 0.00 0.00 173.10 175.64 1jha h PHE 241 N 2.00 1.15 -0.28 1.90 0.05 -1.90 -0.52 116.94 119.33 1jha h PHE 241 Ca -0.21 -0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.55 1jha h PHE 241 Cb 1.26 -0.37 -0.01 0.00 2.00 0.00 0.00 35.95 38.82 1jha h PHE 241 CO 0.40 0.79 0.16 0.38 -0.18 0.00 0.00 178.31 179.87 1jha h ASP 242 N 1.16 0.35 -0.38 2.17 -0.00 -1.86 0.35 116.42 118.20 1jha h ASP 242 Ca 0.30 -0.07 0.02 0.00 -0.00 0.00 0.00 57.03 57.28 1jha h ASP 242 Cb 0.02 -0.09 -0.03 0.00 -0.00 0.00 0.00 39.33 39.24 1jha h ASP 242 CO -0.05 0.32 0.21 -0.07 -0.00 0.00 0.00 179.24 179.65 1jha h LEU 243 N 0.35 0.33 -0.14 0.15 4.07 -1.85 -0.92 115.31 117.31 1jha h LEU 243 Ca 0.10 0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.10 1jha h LEU 243 Cb 0.04 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 1jha h LEU 243 CO -0.02 0.24 -0.05 0.58 -1.08 0.00 0.00 178.44 178.11 1jha h VAL 244 N 0.43 0.83 -0.87 1.22 2.07 -0.89 -2.15 116.25 116.89 1jha h VAL 244 Ca 0.16 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.78 1jha h VAL 244 Cb 0.03 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 1jha h VAL 244 CO -0.09 0.00 0.50 1.23 0.02 0.00 0.00 177.57 179.23 1jha h GLY 245 N -0.02 1.37 0.96 2.17 0.00 -0.31 -0.82 103.07 106.42 1jha h GLY 245 Ca 0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1jha h GLY 245 CO -0.16 0.12 0.07 -0.33 0.00 0.00 0.00 176.54 176.25 1jha h MET 246 N 0.82 0.73 -1.00 4.80 2.07 -0.90 -1.49 114.93 119.95 1jha h MET 246 Ca 0.43 -0.19 0.05 0.00 -2.07 0.00 0.00 59.70 57.91 1jha h MET 246 Cb 0.42 -0.09 -0.06 0.00 -1.87 0.00 0.00 31.60 30.01 1jha h MET 246 CO -0.26 0.75 0.65 1.15 1.07 0.00 0.00 176.91 180.27 1jha h THR 247 N 0.59 1.13 -0.13 2.22 2.02 -0.80 -1.59 112.91 116.35 1jha h THR 247 Ca 0.13 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 1jha h THR 247 Cb 0.38 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1jha h THR 247 CO 0.01 0.22 -0.19 1.23 0.37 0.00 0.00 175.52 177.16 1jha h GLY 248 N 1.22 0.23 0.95 2.16 0.00 -0.69 -0.51 103.07 106.43 1jha h GLY 248 Ca 0.41 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 1jha h GLY 248 CO -0.15 0.15 -0.04 -2.08 0.00 0.00 0.00 176.54 174.42 1jha h VAL 249 N 0.20 1.27 -0.40 4.60 2.07 -0.33 -1.26 116.25 122.41 1jha h VAL 249 Ca 0.04 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.51 1jha h VAL 249 Cb 0.46 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1jha h VAL 249 CO 0.03 0.36 0.21 0.24 0.02 0.00 0.00 177.57 178.43 1jha h MET 250 N 0.52 0.41 -0.43 1.57 2.86 -1.01 0.94 114.93 119.79 1jha h MET 250 Ca 0.10 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 1jha h MET 250 Cb 0.53 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1jha h MET 250 CO 0.03 0.27 -0.16 -0.07 1.06 0.00 0.00 176.91 178.04 1jha h LEU 251 N 0.43 0.80 -0.24 1.22 3.38 -0.97 -2.50 115.31 117.43 1jha h LEU 251 Ca 0.17 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1jha h LEU 251 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1jha h LEU 251 CO -0.10 0.96 -0.04 1.23 0.09 0.00 0.00 178.44 180.58 1jha h GLY 252 N 0.97 0.49 0.98 0.83 0.00 -0.76 -1.41 103.07 104.17 1jha h GLY 252 Ca 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1jha h GLY 252 CO 0.05 0.36 0.25 0.00 0.00 0.00 0.00 176.54 177.20 1jha h ALA 253 N 0.77 0.54 -0.36 3.60 0.00 -0.82 -1.34 119.26 121.66 1jha h ALA 253 Ca 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jha h ALA 253 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1jha h ALA 253 CO 0.02 0.03 0.22 0.00 0.00 0.00 0.00 179.25 179.52 1jha h ALA 254 N 1.11 0.47 -0.71 0.00 0.00 -1.42 0.66 119.26 119.36 1jha h ALA 254 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jha h ALA 254 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1jha h ALA 254 CO -0.03 -0.04 0.43 -0.09 0.00 0.00 0.00 179.25 179.53 1jha h ARG 255 N 0.48 0.96 0.00 0.00 9.65 -1.08 0.16 114.38 124.55 1jha h ARG 255 Ca 0.13 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1jha h ARG 255 Cb 0.01 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.38 1jha h ARG 255 CO -0.02 0.67 0.00 0.00 2.80 0.00 0.00 179.97 183.42 1jha n GLY 257 N 0.77 -0.05 3.59 0.00 0.00 0.55 -4.08 105.19 105.97 1jha n GLY 257 Ca 0.06 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1jha n GLY 257 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jha s LEU 258 N -3.20 3.00 0.31 0.99 1.43 0.20 -1.40 118.68 120.01 1jha s LEU 258 Ca 0.03 -0.76 -0.22 0.00 -1.03 0.00 0.00 54.13 52.15 1jha s LEU 258 Cb -0.01 -1.52 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 1jha s LEU 258 CO 0.03 0.02 0.85 -2.16 0.23 0.00 0.00 176.35 175.33 1jha s PRO 259 N -3.59 4.36 -0.07 1.29 0.04 -1.26 -4.00 135.00 131.76 1jha s PRO 259 Ca 0.31 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.45 1jha s PRO 259 Cb -0.06 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.81 1jha s PRO 259 CO 0.18 0.25 -0.16 0.08 0.04 0.00 0.00 177.00 177.39 1jha s VAL 260 N -1.72 1.44 -0.20 -0.36 1.01 -0.54 -1.73 120.40 118.31 1jha s VAL 260 Ca 0.50 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 1jha s VAL 260 Cb -0.15 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1jha s VAL 260 CO 0.20 0.42 0.39 -0.76 0.00 0.00 0.00 175.10 175.36 1jha s LEU 261 N 0.50 4.16 0.92 3.92 1.43 0.11 0.00 118.68 129.73 1jha s LEU 261 Ca -0.15 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.35 1jha s LEU 261 Cb -0.16 -2.51 0.14 0.00 0.03 0.00 0.00 46.19 43.69 1jha s LEU 261 CO 0.05 -0.06 1.14 -0.76 0.23 0.00 0.00 176.35 176.94 1jha s LEU 262 N 1.24 1.97 0.00 1.79 1.02 0.99 -2.58 118.68 123.12 1jha s LEU 262 Ca 0.19 0.97 0.00 0.00 0.02 0.00 0.00 54.13 55.31 1jha s LEU 262 Cb -0.15 -3.28 0.00 0.00 0.02 0.00 0.00 46.19 42.78 1jha s LEU 262 CO 0.08 -2.60 0.00 -0.67 0.02 0.00 0.00 176.35 173.17 1jha n ASP 263 N -3.80 0.00 0.00 2.29 2.03 -1.26 -3.85 116.55 111.96 1jha n ASP 263 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1jha n ASP 263 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1jha n ASP 263 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jha n GLY 264 N 5.00 3.84 0.29 0.27 0.00 -1.26 -4.22 105.19 109.11 1jha n GLY 264 Ca 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 1jha n GLY 264 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jha h PHE 265 N 0.00 -0.57 -0.69 1.61 3.04 -1.94 0.74 116.94 119.13 1jha h PHE 265 Ca 0.00 0.06 0.04 0.00 3.98 0.00 0.00 57.97 62.06 1jha h PHE 265 Cb 0.00 0.35 -0.05 0.00 2.56 0.00 0.00 35.95 38.81 1jha h PHE 265 CO 0.00 -0.33 0.41 -0.07 -2.02 0.00 0.00 178.31 176.31 1jha h LEU 266 N -0.07 0.65 -1.16 0.59 -0.00 -1.96 -2.00 115.31 111.37 1jha h LEU 266 Ca 0.29 0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 58.13 1jha h LEU 266 Cb 0.52 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 1jha h LEU 266 CO -0.68 0.44 0.02 0.77 -0.00 0.00 0.00 178.44 178.99 1jha h SER 267 N 0.79 0.57 -0.81 -0.43 4.64 -1.42 -2.20 113.55 114.69 1jha h SER 267 Ca 0.29 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 1jha h SER 267 Cb 0.09 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 1jha h SER 267 CO -0.14 0.63 0.36 1.88 -0.87 0.00 0.00 176.83 178.69 1jha h TYR 268 N 0.58 1.20 -0.73 4.77 0.99 -0.24 0.19 116.97 123.73 1jha h TYR 268 Ca 0.12 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 1jha h TYR 268 Cb 0.34 -0.36 -0.03 0.00 1.00 0.00 0.00 36.73 37.67 1jha h TYR 268 CO 0.01 0.89 0.38 0.66 -0.00 0.00 0.00 178.16 180.10 1jha h SER 269 N 1.16 0.92 -0.17 3.88 4.64 -0.82 -0.81 113.55 122.36 1jha h SER 269 Ca 0.27 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1jha h SER 269 Cb 0.17 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1jha h SER 269 CO -0.03 0.77 -0.16 0.00 -0.87 0.00 0.00 176.83 176.54 1jha h ALA 270 N 1.19 1.13 -0.56 5.18 0.00 -0.99 -2.56 119.26 122.65 1jha h ALA 270 Ca 0.25 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1jha h ALA 270 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1jha h ALA 270 CO -0.04 0.55 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 1jha h ALA 271 N 1.31 0.89 -0.58 0.00 0.00 -0.42 -0.59 119.26 119.87 1jha h ALA 271 Ca 0.09 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1jha h ALA 271 Cb 0.58 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1jha h ALA 271 CO 0.04 0.65 0.37 -0.07 0.00 0.00 0.00 179.25 180.24 1jha h LEU 272 N 0.90 0.62 -0.38 0.00 3.38 -0.77 -1.33 115.31 117.73 1jha h LEU 272 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1jha h LEU 272 Cb 0.56 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1jha h LEU 272 CO 0.03 0.44 0.16 0.00 0.09 0.00 0.00 178.44 179.16 1jha h ALA 273 N 1.24 0.49 -0.45 1.53 0.00 -1.18 -1.05 119.26 119.84 1jha h ALA 273 Ca 0.22 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1jha h ALA 273 Cb -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1jha h ALA 273 CO -0.08 0.08 0.26 0.00 0.00 0.00 0.00 179.25 179.52 1jha h ALA 274 N 1.01 0.57 0.00 0.00 0.00 -0.74 0.45 119.26 120.54 1jha h ALA 274 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1jha h ALA 274 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jha h ALA 274 CO -0.01 -0.06 -0.35 0.00 0.00 0.00 0.00 179.25 178.82 1jha h GLN 276 N 0.00 0.53 -0.35 0.00 5.75 -0.33 -2.79 115.11 117.92 1jha h GLN 276 Ca -0.00 -0.26 -0.09 0.00 -0.15 0.00 0.00 58.65 58.15 1jha h GLN 276 Cb 0.69 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1jha h GLN 276 CO 0.05 0.84 -0.11 0.82 -2.65 0.00 0.00 178.83 177.77 1jha h ILE 277 N 0.22 1.28 -2.02 2.39 2.04 -0.54 -3.43 117.51 117.45 1jha h ILE 277 Ca 0.04 -1.20 -0.24 0.00 1.00 0.00 0.00 64.86 64.46 1jha h ILE 277 Cb 0.73 1.33 -0.31 0.00 -0.74 0.00 0.00 36.82 37.83 1jha h ILE 277 CO 0.05 0.39 -0.56 0.00 0.00 0.00 0.00 178.15 178.03 1jha s ALA 278 N -4.72 -0.80 0.44 1.87 0.00 0.12 -5.01 121.76 113.66 1jha s ALA 278 Ca -0.13 0.27 0.29 0.00 0.00 0.00 0.00 51.96 52.39 1jha s ALA 278 Cb 0.09 -1.76 1.55 0.00 0.00 0.00 0.00 23.12 23.01 1jha s ALA 278 CO 0.81 -1.51 2.11 -1.35 0.00 0.00 0.00 175.76 175.82 1jha h PRO 279 N 8.22 0.00 -0.00 0.00 0.11 -1.71 -1.58 132.00 137.04 1jha h PRO 279 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1jha h PRO 279 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jha h PRO 279 CO 0.29 0.09 0.07 0.00 -0.21 0.00 0.00 178.00 178.25 1jha h ALA 280 N 1.91 1.10 -0.11 -0.75 0.00 -1.92 -1.73 119.26 117.77 1jha h ALA 280 Ca -0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1jha h ALA 280 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jha h ALA 280 CO 0.01 -0.08 -0.39 0.28 0.00 0.00 0.00 179.25 179.07 1jha h VAL 281 N 0.00 1.30 -0.98 0.00 2.07 -1.60 -3.37 116.25 113.67 1jha h VAL 281 Ca 0.00 -1.47 0.15 0.00 0.82 0.00 0.00 66.70 66.21 1jha h VAL 281 Cb 0.15 1.65 -0.16 0.00 -1.52 0.00 0.00 31.29 31.42 1jha h VAL 281 CO -0.00 0.44 -0.40 -0.09 0.02 0.00 0.00 177.57 177.54 1jha h ARG 282 N 0.19 -0.01 0.00 1.57 9.65 -1.50 -0.54 114.38 123.75 1jha h ARG 282 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1jha h ARG 282 Cb 0.78 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1jha h ARG 282 CO 0.06 -0.01 0.00 -0.35 2.80 0.00 0.00 179.97 182.47 1jha n PRO 283 N -5.46 0.06 0.04 0.20 -0.05 -1.26 -2.25 135.00 126.29 1jha n PRO 283 Ca 0.09 0.49 0.11 0.00 -0.05 0.00 0.00 63.50 64.14 1jha n PRO 283 Cb 0.39 -1.67 0.02 0.00 -0.05 0.00 0.00 33.50 32.19 1jha n PRO 283 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1jha n TYR 284 N -1.80 0.42 -2.79 0.54 4.01 -0.21 -4.94 117.16 112.39 1jha n TYR 284 Ca 0.00 0.12 -0.36 0.00 -0.16 0.00 0.00 57.90 57.51 1jha n TYR 284 Cb 0.07 -0.58 -0.07 0.00 -0.31 0.00 0.00 39.34 38.46 1jha n TYR 284 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jha s LEU 285 N -4.30 4.27 -0.06 7.72 1.43 -0.95 -1.46 118.68 125.33 1jha s LEU 285 Ca 0.02 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 54.92 1jha s LEU 285 Cb 0.13 -4.09 0.03 0.00 0.03 0.00 0.00 46.19 42.29 1jha s LEU 285 CO 0.80 -0.11 0.01 -0.63 0.23 0.00 0.00 176.35 176.64 1jha s ILE 286 N -1.71 0.30 0.78 -0.59 1.01 0.10 -4.91 121.20 116.19 1jha s ILE 286 Ca 0.52 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 61.20 1jha s ILE 286 Cb -0.17 -0.45 0.06 0.00 0.01 0.00 0.00 42.46 41.91 1jha s ILE 286 CO 0.22 0.23 1.10 -2.16 0.00 0.00 0.00 174.94 174.33 1jha s PRO 287 N 1.81 2.15 0.00 2.79 0.04 -1.26 -0.00 135.00 140.52 1jha s PRO 287 Ca 0.02 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1jha s PRO 287 Cb -0.13 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1jha s PRO 287 CO -0.04 -1.73 0.00 -1.13 0.04 0.00 0.00 177.00 174.13 1jha n SER 288 N -3.56 0.00 -4.49 6.66 3.41 -1.25 -4.63 113.62 109.75 1jha n SER 288 Ca 0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.46 1jha n SER 288 Cb 0.53 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 1jha n SER 288 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1jha s HIS 289 N -0.22 2.10 -0.56 7.33 -3.43 -1.26 -1.84 115.29 117.42 1jha s HIS 289 Ca 0.00 -0.91 -0.17 0.00 -0.80 0.00 0.00 55.06 53.19 1jha s HIS 289 Cb 0.00 -1.45 0.13 0.00 -1.43 0.00 0.00 32.58 29.83 1jha s HIS 289 CO 0.00 0.13 0.55 0.12 -2.00 0.00 0.00 174.74 173.54 1jha s PHE 290 N -3.08 3.22 0.43 0.38 2.19 0.12 -4.81 117.98 116.44 1jha s PHE 290 Ca 0.32 -1.25 -0.25 0.00 0.33 0.00 0.00 56.93 56.08 1jha s PHE 290 Cb 0.08 -3.85 -0.10 0.00 -1.31 0.00 0.00 43.02 37.85 1jha s PHE 290 CO 0.15 -1.08 1.23 0.45 1.83 0.00 0.00 175.22 177.80 1jha n SER 291 N 5.43 2.31 -0.01 6.13 2.88 -1.26 -4.31 113.62 124.79 1jha n SER 291 Ca -0.12 1.09 0.10 0.00 -1.33 0.00 0.00 58.87 58.60 1jha n SER 291 Cb 0.41 -1.48 0.57 0.00 -0.75 0.00 0.00 64.21 62.96 1jha n SER 291 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jha n ALA 292 N -0.32 2.61 -1.89 -1.46 0.00 -0.73 -4.74 120.51 113.99 1jha n ALA 292 Ca 0.07 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1jha n ALA 292 Cb 0.40 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1jha n ALA 292 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jha s GLU 293 N -2.00 4.51 0.25 0.00 2.56 -1.26 -4.94 118.70 117.83 1jha s GLU 293 Ca 0.29 1.93 -0.04 0.00 0.00 0.00 0.00 54.97 57.15 1jha s GLU 293 Cb 0.13 -3.19 0.51 0.00 2.00 0.00 0.00 34.13 33.59 1jha s GLU 293 CO 0.22 -0.01 1.66 -0.22 -0.56 0.00 0.00 175.26 176.35 1jha h LYS 294 N 4.41 0.19 0.00 4.30 3.64 -1.88 -1.49 116.57 125.75 1jha h LYS 294 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1jha h LYS 294 Cb 1.22 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1jha h LYS 294 CO 0.70 0.13 0.00 0.41 -2.27 0.00 0.00 179.45 178.42 1jha n GLY 295 N -1.38 -0.83 0.30 5.01 0.00 -1.23 -4.16 105.19 102.89 1jha n GLY 295 Ca 0.16 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1jha n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jha h ALA 296 N 3.66 -0.49 -0.71 4.61 0.00 -1.56 -1.62 119.26 123.15 1jha h ALA 296 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1jha h ALA 296 Cb 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1jha h ALA 296 CO 0.00 -0.82 0.31 0.07 0.00 0.00 0.00 179.25 178.81 1jha h ARG 297 N -0.51 0.50 0.04 0.00 0.11 -1.80 0.02 114.38 112.74 1jha h ARG 297 Ca 0.02 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 1jha h ARG 297 Cb 0.52 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1jha h ARG 297 CO -0.12 0.33 -0.02 0.82 0.10 0.00 0.00 179.97 181.08 1jha h ILE 298 N 0.52 1.03 -0.34 0.08 2.04 -1.80 -1.21 117.51 117.82 1jha h ILE 298 Ca 0.36 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 66.06 1jha h ILE 298 Cb 0.45 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1jha h ILE 298 CO -0.32 0.06 0.07 0.00 0.00 0.00 0.00 178.15 177.95 1jha h ALA 299 N 0.80 0.35 -0.79 1.87 0.00 -0.90 -2.13 119.26 118.46 1jha h ALA 299 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jha h ALA 299 Cb 0.13 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1jha h ALA 299 CO 0.01 -0.34 0.43 -0.07 0.00 0.00 0.00 179.25 179.28 1jha h LEU 300 N 0.18 0.99 -0.68 0.00 3.38 -0.87 -2.07 115.31 116.24 1jha h LEU 300 Ca 0.16 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1jha h LEU 300 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1jha h LEU 300 CO -0.21 0.80 0.26 0.00 0.09 0.00 0.00 178.44 179.38 1jha h ALA 301 N 1.36 0.88 0.00 1.53 0.00 -0.93 0.42 119.26 122.53 1jha h ALA 301 Ca 0.28 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1jha h ALA 301 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jha h ALA 301 CO -0.04 0.51 -0.28 0.45 0.00 0.00 0.00 179.25 179.89 1jha h HIS 302 N 0.97 0.00 -0.01 0.00 3.86 -0.88 -1.57 115.15 117.52 1jha h HIS 302 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1jha h HIS 302 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1jha h HIS 302 CO 0.02 0.28 -0.20 1.28 0.86 0.00 0.00 177.93 180.16 1jha n LEU 303 N -4.00 1.16 -3.63 2.43 4.77 -0.81 -4.94 117.00 111.98 1jha n LEU 303 Ca -0.02 -0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 55.42 1jha n LEU 303 Cb 0.35 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1jha n LEU 303 CO 0.36 0.21 0.06 -1.20 -1.33 0.00 0.00 177.39 175.50 1jha n SER 304 N -0.45 -2.80 -4.26 -1.43 7.64 0.00 -4.98 113.62 107.35 1jha n SER 304 Ca 0.14 -0.71 -0.26 0.00 1.01 0.00 0.00 58.87 59.05 1jha n SER 304 Cb 0.35 -4.52 -0.14 0.00 -1.01 0.00 0.00 64.21 58.89 1jha n SER 304 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1jha s MET 305 N -5.93 1.43 -0.29 1.43 1.00 -0.39 -5.04 119.30 111.51 1jha s MET 305 Ca 0.19 -0.94 0.03 0.00 0.00 0.00 0.00 55.69 54.97 1jha s MET 305 Cb -0.09 -1.54 0.08 0.00 0.00 0.00 0.00 34.83 33.28 1jha s MET 305 CO 0.78 0.40 -0.01 -1.83 0.00 0.00 0.00 175.02 174.35 1jha s GLU 306 N -1.15 1.67 0.80 2.03 1.03 -1.26 -4.63 118.70 117.18 1jha s GLU 306 Ca 0.08 -1.48 -0.14 0.00 0.03 0.00 0.00 54.97 53.46 1jha s GLU 306 Cb -0.09 -2.89 0.08 0.00 -0.80 0.00 0.00 34.13 30.43 1jha s GLU 306 CO 0.02 -0.77 1.21 -2.14 -1.33 0.00 0.00 175.26 172.25 1jha s PRO 307 N 1.12 1.68 0.01 -4.83 0.02 -1.26 -4.90 135.00 126.84 1jha s PRO 307 Ca 0.02 1.78 -0.01 0.00 0.02 0.00 0.00 61.00 62.81 1jha s PRO 307 Cb -0.19 -1.78 -0.27 0.00 0.02 0.00 0.00 34.50 32.28 1jha s PRO 307 CO -0.08 -2.18 0.88 1.88 -0.33 0.00 0.00 177.00 177.16 1jha h TYR 308 N -0.81 0.38 -3.26 6.54 0.05 -1.65 -3.47 116.97 114.74 1jha h TYR 308 Ca -0.47 -0.28 -0.62 0.00 0.05 0.00 0.00 58.73 57.42 1jha h TYR 308 Cb 1.30 -0.02 -0.16 0.00 1.01 0.00 0.00 36.73 38.87 1jha h TYR 308 CO 0.46 1.32 -0.56 -0.51 -1.05 0.00 0.00 178.16 177.82 1jha s LEU 309 N -6.89 3.82 -0.57 3.88 1.02 -0.76 -5.03 118.68 114.15 1jha s LEU 309 Ca -0.08 0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.18 1jha s LEU 309 Cb 0.07 -1.96 0.14 0.00 0.02 0.00 0.00 46.19 44.46 1jha s LEU 309 CO 0.85 0.19 0.34 -1.00 0.02 0.00 0.00 176.35 176.74 1jha s HIS 310 N 0.27 3.27 -0.64 0.29 3.76 -1.26 -0.70 115.29 120.29 1jha s HIS 310 Ca 0.04 -3.02 0.06 0.00 -0.15 0.00 0.00 55.06 51.98 1jha s HIS 310 Cb -0.12 -2.96 0.07 0.00 1.11 0.00 0.00 32.58 30.69 1jha s HIS 310 CO 0.00 -0.77 0.80 -1.33 -0.85 0.00 0.00 174.74 172.59 1jha n MET 311 N 3.20 0.66 -2.52 1.40 2.81 -1.26 -4.98 117.12 116.43 1jha n MET 311 Ca 0.07 -1.10 -0.18 0.00 -1.81 0.00 0.00 57.70 54.68 1jha n MET 311 Cb 0.34 -1.12 -0.00 0.00 -0.71 0.00 0.00 33.22 31.73 1jha n MET 311 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jha n ALA 312 N 0.23 -0.73 -1.81 3.04 0.00 -1.26 -4.94 120.51 115.04 1jha n ALA 312 Ca 0.04 0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 1jha n ALA 312 Cb 0.20 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 1jha n ALA 312 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jha s MET 313 N -5.15 4.25 -0.34 0.00 -1.94 -1.26 -4.57 119.30 110.28 1jha s MET 313 Ca 0.05 1.19 0.13 0.00 -1.71 0.00 0.00 55.69 55.35 1jha s MET 313 Cb -0.02 -2.29 0.42 0.00 2.01 0.00 0.00 34.83 34.95 1jha s MET 313 CO 0.06 -0.02 1.44 2.89 -0.01 0.00 0.00 175.02 179.38 1jha n ARG 314 N -0.45 1.36 -0.03 2.03 1.85 -1.26 -1.78 116.66 118.39 1jha n ARG 314 Ca 0.06 -1.64 -0.19 0.00 -1.00 0.00 0.00 57.85 55.08 1jha n ARG 314 Cb 0.53 0.07 -0.14 0.00 -1.05 0.00 0.00 32.46 31.87 1jha n ARG 314 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1jha n LEU 315 N -1.21 2.47 0.00 2.89 7.94 -1.26 -4.90 117.00 122.93 1jha n LEU 315 Ca -0.11 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1jha n LEU 315 Cb 0.86 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.91 1jha n LEU 315 CO -0.11 0.82 0.00 0.61 -1.11 0.00 0.00 177.39 177.60 1jha n GLY 316 N 2.00 -0.53 3.68 -3.96 0.00 -1.26 -4.95 105.19 100.17 1jha n GLY 316 Ca -0.33 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1jha n GLY 316 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jha n GLU 317 N 0.00 0.00 -0.36 1.61 1.02 -0.97 -1.71 120.64 120.23 1jha n GLU 317 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1jha n GLU 317 Cb 0.00 -3.01 0.00 0.00 -0.02 0.00 0.00 31.44 28.41 1jha n GLU 317 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jha n GLY 318 N -2.00 0.80 0.31 0.62 0.00 -1.26 -4.30 105.19 99.36 1jha n GLY 318 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1jha n GLY 318 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jha h SER 319 N 0.00 0.96 -0.45 1.61 4.64 -1.66 -1.96 113.55 116.69 1jha h SER 319 Ca 0.00 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 1jha h SER 319 Cb 0.00 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 1jha h SER 319 CO 0.00 0.79 -0.01 1.23 -0.87 0.00 0.00 176.83 177.97 1jha h GLY 320 N 1.06 0.87 0.22 -0.77 0.00 -1.91 -2.42 103.07 100.11 1jha h GLY 320 Ca 0.27 -0.65 0.07 0.00 0.00 0.00 0.00 47.33 47.02 1jha h GLY 320 CO -0.04 0.59 -0.15 0.00 0.00 0.00 0.00 176.54 176.94 1jha h ALA 321 N 0.91 0.09 -0.73 3.60 0.00 -1.58 -1.56 119.26 119.98 1jha h ALA 321 Ca 0.13 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1jha h ALA 321 Cb 0.51 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1jha h ALA 321 CO 0.03 -0.54 0.28 0.00 0.00 0.00 0.00 179.25 179.01 1jha h ALA 322 N 1.13 1.11 -0.01 0.00 0.00 -1.29 -2.22 119.26 117.98 1jha h ALA 322 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jha h ALA 322 Cb 0.35 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jha h ALA 322 CO -0.38 0.63 -0.04 1.25 0.00 0.00 0.00 179.25 180.70 1jha h LEU 323 N 1.07 0.02 0.00 0.00 5.85 -0.84 -2.73 115.31 118.68 1jha h LEU 323 Ca 0.24 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1jha h LEU 323 Cb 0.22 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1jha h LEU 323 CO -0.02 0.07 -0.48 0.00 -0.34 0.00 0.00 178.44 177.67 1jha h ALA 324 N 1.94 0.69 -1.00 1.25 0.00 -0.68 -3.38 119.26 118.07 1jha h ALA 324 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.10 1jha h ALA 324 Cb 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.78 1jha h ALA 324 CO 0.01 0.00 0.61 0.52 0.00 0.00 0.00 179.25 180.39 1jha h MET 325 N 0.00 0.74 0.00 0.00 2.86 -1.35 0.12 114.93 117.30 1jha h MET 325 Ca 0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1jha h MET 325 Cb 0.77 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1jha h MET 325 CO 0.00 0.49 -0.10 -1.35 1.06 0.00 0.00 176.91 177.01 1jha h PRO 326 N 0.76 0.00 -0.34 -0.22 0.11 -1.78 -0.74 132.00 129.80 1jha h PRO 326 Ca 0.58 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.62 1jha h PRO 326 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1jha h PRO 326 CO -0.38 0.10 -0.06 0.82 -0.21 0.00 0.00 178.00 178.26 1jha h ILE 327 N 0.00 1.27 -0.70 4.15 2.04 -1.03 0.51 117.51 123.75 1jha h ILE 327 Ca -0.00 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 64.78 1jha h ILE 327 Cb 0.19 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1jha h ILE 327 CO 0.01 0.36 0.45 0.58 0.00 0.00 0.00 178.15 179.55 1jha h VAL 328 N 0.43 1.12 -0.17 1.67 2.07 -0.97 -1.48 116.25 118.92 1jha h VAL 328 Ca 0.09 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1jha h VAL 328 Cb 0.55 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1jha h VAL 328 CO 0.03 0.16 -0.19 -0.33 0.02 0.00 0.00 177.57 177.27 1jha h GLU 329 N 0.89 0.29 -0.62 1.57 5.08 -0.87 -2.84 114.58 118.07 1jha h GLU 329 Ca 0.28 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1jha h GLU 329 Cb -0.02 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1jha h GLU 329 CO -0.09 0.47 0.15 0.00 -1.00 0.00 0.00 179.01 178.54 1jha h ALA 330 N 1.55 0.82 -0.31 3.43 0.00 0.12 -1.08 119.26 123.79 1jha h ALA 330 Ca 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1jha h ALA 330 Cb 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jha h ALA 330 CO 0.03 0.53 0.13 0.00 0.00 0.00 0.00 179.25 179.94 1jha h ALA 331 N 1.05 1.64 -0.11 0.00 0.00 -1.17 0.55 119.26 121.21 1jha h ALA 331 Ca 0.19 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1jha h ALA 331 Cb 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1jha h ALA 331 CO 0.00 0.29 -0.19 0.00 0.00 0.00 0.00 179.25 179.35 1jha h ALA 333 N 0.54 0.97 -0.00 0.00 0.00 -0.88 -0.06 119.26 119.83 1jha h ALA 333 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1jha h ALA 333 Cb 0.76 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1jha h ALA 333 CO 0.04 0.39 -0.19 1.98 0.00 0.00 0.00 179.25 181.48 1jha h MET 334 N 1.04 -0.29 -0.61 0.00 -1.53 -0.87 0.30 114.93 112.96 1jha h MET 334 Ca 0.28 0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.61 1jha h MET 334 Cb -0.11 0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 30.95 1jha h MET 334 CO -0.06 -0.19 0.32 0.35 0.14 0.00 0.00 176.91 177.47 1jha h PHE 335 N -0.30 0.59 0.00 1.39 3.57 -0.71 -2.71 116.94 118.77 1jha h PHE 335 Ca 0.06 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.33 1jha h PHE 335 Cb 0.38 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1jha h PHE 335 CO -0.24 0.28 -1.76 0.72 -2.23 0.00 0.00 178.31 175.08 1jha n HIS 336 N -4.83 0.74 0.53 0.41 8.25 -0.10 -4.55 115.22 115.67 1jha n HIS 336 Ca 0.07 0.26 0.08 0.00 -0.26 0.00 0.00 57.72 57.87 1jha n HIS 336 Cb 0.16 -1.08 -0.11 0.00 1.12 0.00 0.00 29.99 30.08 1jha n HIS 336 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jha n ASN 337 N -2.89 0.85 -4.79 0.41 5.03 0.10 -4.98 115.26 108.99 1jha n ASN 337 Ca -0.17 -0.59 -0.34 0.00 0.87 0.00 0.00 54.58 54.35 1jha n ASN 337 Cb 0.97 1.29 -0.01 0.00 -1.02 0.00 0.00 39.78 41.01 1jha n ASN 337 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1jha s MET 338 N -2.85 3.52 1.10 3.52 -1.94 -1.02 -5.04 119.30 116.59 1jha s MET 338 Ca 0.02 1.41 -0.18 0.00 -1.71 0.00 0.00 55.69 55.24 1jha s MET 338 Cb 0.13 -2.05 0.25 0.00 2.01 0.00 0.00 34.83 35.17 1jha s MET 338 CO 0.72 -0.67 1.18 0.20 -0.01 0.00 0.00 175.02 176.44 1jha s GLY 339 N -2.09 1.65 -0.06 -0.03 0.00 -1.26 -4.86 107.32 100.66 1jha s GLY 339 Ca 0.68 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 44.44 1jha s GLY 339 CO 0.26 -0.17 -0.15 -0.54 0.00 0.00 0.00 173.10 172.50 1jha s GLU 340 N -5.55 2.66 0.15 2.90 2.02 -1.26 -1.03 118.70 118.60 1jha s GLU 340 Ca 0.71 -0.72 -0.20 0.00 0.02 0.00 0.00 54.97 54.79 1jha s GLU 340 Cb -0.08 -2.40 0.04 0.00 0.10 0.00 0.00 34.13 31.79 1jha s GLU 340 CO 0.55 0.53 1.66 -0.07 0.02 0.00 0.00 175.26 177.94 1jha h LEU 341 N 5.66 -0.53 -1.13 1.80 3.38 -1.38 -1.64 115.31 121.47 1jha h LEU 341 Ca -0.41 0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.77 1jha h LEU 341 Cb 1.16 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 1jha h LEU 341 CO 0.51 -0.20 0.60 0.00 0.09 0.00 0.00 178.44 179.44 1jha h ALA 342 N 1.08 1.57 0.00 1.53 0.00 -1.79 -0.39 119.26 121.26 1jha h ALA 342 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1jha h ALA 342 Cb 0.35 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jha h ALA 342 CO -0.36 0.24 -0.05 0.00 0.00 0.00 0.00 179.25 179.08 1jha h ALA 343 N 1.53 1.17 -0.01 0.00 0.00 -1.68 -1.59 119.26 118.70 1jha h ALA 343 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1jha h ALA 343 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jha h ALA 343 CO -0.19 0.06 -0.72 0.43 0.00 0.00 0.00 179.25 178.82 1jha n SER 344 N -3.39 1.37 -0.10 0.00 7.64 -0.22 -4.94 113.62 113.97 1jha n SER 344 Ca -0.02 -1.15 -0.01 0.00 1.01 0.00 0.00 58.87 58.70 1jha n SER 344 Cb 0.18 0.70 -0.01 0.00 -1.01 0.00 0.00 64.21 64.07 1jha n SER 344 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jha n ASN 345 N -0.88 -3.32 -4.74 6.43 5.03 -0.60 -5.01 115.26 112.17 1jha n ASN 345 Ca 0.07 0.03 -0.40 0.00 0.87 0.00 0.00 54.58 55.15 1jha n ASN 345 Cb 0.39 -0.93 -0.05 0.00 -1.02 0.00 0.00 39.78 38.16 1jha n ASN 345 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jha s ILE 346 N -2.00 4.84 -0.19 2.41 1.01 -0.85 -5.00 121.20 121.42 1jha s ILE 346 Ca 0.00 1.52 0.01 0.00 0.00 0.00 0.00 60.65 62.19 1jha s ILE 346 Cb 0.00 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.43 1jha s ILE 346 CO 0.00 0.35 -0.16 -0.69 0.00 0.00 0.00 174.94 174.43 1jha s VAL 347 N 0.12 1.96 -0.07 2.92 1.01 -1.26 -4.36 120.40 120.72 1jha s VAL 347 Ca 0.37 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1jha s VAL 347 Cb -0.19 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 1jha s VAL 347 CO 0.21 0.39 -0.23 -0.76 0.00 0.00 0.00 175.10 174.71 1jha s LEU 348 N 1.30 2.02 0.00 3.92 1.43 -1.26 -5.22 118.68 120.87 1jha s LEU 348 Ca 0.02 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1jha s LEU 348 Cb -0.15 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1jha s LEU 348 CO -0.11 0.18 0.00 -2.65 0.23 0.00 0.00 176.35 174.00