#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mxh s PRO 12 N 0.00 3.67 -0.01 0.00 0.04 -1.26 -4.89 135.00 132.56 1mxh s PRO 12 Ca 0.00 0.45 0.08 0.00 0.04 0.00 0.00 61.00 61.57 1mxh s PRO 12 Cb 0.00 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1mxh s PRO 12 CO 0.00 -0.21 -0.24 0.00 0.04 0.00 0.00 177.00 176.59 1mxh s ALA 13 N -2.66 2.01 0.00 8.56 0.00 -1.26 -0.19 121.76 128.22 1mxh s ALA 13 Ca 0.51 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.46 1mxh s ALA 13 Cb -0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1mxh s ALA 13 CO 0.40 0.49 -0.17 0.00 0.00 0.00 0.00 175.76 176.48 1mxh s ALA 14 N -0.60 1.40 -0.20 0.00 0.00 0.04 -0.17 121.76 122.22 1mxh s ALA 14 Ca 0.09 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 1mxh s ALA 14 Cb -0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1mxh s ALA 14 CO -0.00 0.33 0.08 0.08 0.00 0.00 0.00 175.76 176.24 1mxh s VAL 15 N -0.51 4.84 -0.31 0.00 1.01 0.33 -1.16 120.40 124.61 1mxh s VAL 15 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1mxh s VAL 15 Cb -0.07 -3.20 0.08 0.00 0.00 0.00 0.00 36.38 33.19 1mxh s VAL 15 CO -0.00 0.43 -0.01 -0.63 0.00 0.00 0.00 175.10 174.89 1mxh s ILE 16 N 0.62 2.24 0.37 2.22 1.09 -0.76 -0.61 121.20 126.36 1mxh s ILE 16 Ca 0.04 -2.07 -0.26 0.00 -1.10 0.00 0.00 60.65 57.26 1mxh s ILE 16 Cb -0.13 -2.53 -0.09 0.00 -1.06 0.00 0.00 42.46 38.65 1mxh s ILE 16 CO 0.01 -0.38 1.13 0.42 -0.10 0.00 0.00 174.94 176.02 1mxh s THR 17 N 0.98 3.37 -1.47 2.92 -4.23 -0.91 -2.03 115.64 114.28 1mxh s THR 17 Ca 0.03 1.18 -0.08 0.00 -1.18 0.00 0.00 61.69 61.64 1mxh s THR 17 Cb -0.19 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.00 1mxh s THR 17 CO -0.07 0.14 0.78 0.61 -0.54 0.00 0.00 174.62 175.54 1mxh n GLY 18 N 0.70 -0.52 0.88 3.99 0.00 -0.97 -2.20 105.19 107.07 1mxh n GLY 18 Ca 0.03 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1mxh n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mxh n GLY 19 N -1.60 1.23 0.16 -0.02 0.00 -0.54 -4.15 105.19 100.28 1mxh n GLY 19 Ca -0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 1mxh n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxh h ALA 20 N 3.81 0.72 -2.71 4.61 0.00 -1.84 -3.01 119.26 120.85 1mxh h ALA 20 Ca 0.00 -0.59 -0.34 0.00 0.00 0.00 0.00 54.91 53.97 1mxh h ALA 20 Cb 0.66 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.23 1mxh h ALA 20 CO 0.02 0.77 -0.56 1.03 0.00 0.00 0.00 179.25 180.51 1mxh s ARG 21 N -3.62 1.45 1.85 0.00 0.52 -1.26 -4.48 118.95 113.40 1mxh s ARG 21 Ca -0.04 -1.80 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 1mxh s ARG 21 Cb 0.11 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.85 1mxh s ARG 21 CO 0.82 -0.50 0.00 0.54 0.02 0.00 0.00 175.30 176.18 1mxh n ARG 22 N -0.43 0.00 -0.22 3.54 1.74 -1.26 -1.83 116.66 118.20 1mxh n ARG 22 Ca 0.04 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.15 1mxh n ARG 22 Cb 0.64 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 32.23 1mxh n ARG 22 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1mxh h ILE 23 N 0.00 0.58 -0.01 0.55 2.04 -1.92 0.48 117.51 119.23 1mxh h ILE 23 Ca 0.00 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1mxh h ILE 23 Cb 0.00 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1mxh h ILE 23 CO 0.00 0.05 -0.13 1.23 0.00 0.00 0.00 178.15 179.30 1mxh h GLY 24 N 0.27 0.02 0.42 5.37 0.00 -1.67 -1.47 103.07 106.01 1mxh h GLY 24 Ca 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 1mxh h GLY 24 CO -0.45 0.01 -0.02 0.84 0.00 0.00 0.00 176.54 176.92 1mxh h HIS 25 N 0.02 0.04 -0.46 5.60 -0.00 -0.18 -2.31 115.15 117.86 1mxh h HIS 25 Ca 0.00 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.43 1mxh h HIS 25 Cb 0.24 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 1mxh h HIS 25 CO 0.00 0.63 0.31 1.03 -0.00 0.00 0.00 177.93 179.90 1mxh h SER 26 N -0.56 0.27 -0.05 3.26 0.87 -0.92 -1.06 113.55 115.36 1mxh h SER 26 Ca -0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1mxh h SER 26 Cb 0.63 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1mxh h SER 26 CO 0.00 0.17 -0.64 0.40 -0.53 0.00 0.00 176.83 176.24 1mxh h ILE 27 N 0.31 1.38 -0.30 2.23 2.04 -1.24 -1.88 117.51 120.04 1mxh h ILE 27 Ca 0.21 -2.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.05 1mxh h ILE 27 Cb 0.43 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1mxh h ILE 27 CO -0.05 0.60 0.15 0.00 0.00 0.00 0.00 178.15 178.85 1mxh h ALA 28 N 0.40 0.38 -0.45 1.87 0.00 -0.84 -1.23 119.26 119.39 1mxh h ALA 28 Ca -0.07 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1mxh h ALA 28 Cb 1.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1mxh h ALA 28 CO 0.13 -0.06 0.28 0.28 0.00 0.00 0.00 179.25 179.87 1mxh h VAL 29 N 0.35 1.07 0.47 0.00 2.07 -1.26 -0.89 116.25 118.05 1mxh h VAL 29 Ca 0.10 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1mxh h VAL 29 Cb 0.11 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1mxh h VAL 29 CO -0.01 0.10 -0.26 -0.09 0.02 0.00 0.00 177.57 177.33 1mxh h ARG 30 N 0.56 -0.66 -0.25 1.57 9.65 -1.09 0.09 114.38 124.25 1mxh h ARG 30 Ca 0.17 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.09 1mxh h ARG 30 Cb -0.02 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1mxh h ARG 30 CO -0.07 -0.44 0.12 -0.07 2.80 0.00 0.00 179.97 182.32 1mxh h LEU 31 N -0.68 0.30 -0.34 3.80 3.38 -1.14 -1.77 115.31 118.86 1mxh h LEU 31 Ca -0.06 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1mxh h LEU 31 Cb 0.55 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1mxh h LEU 31 CO 0.08 0.26 -0.10 -0.74 0.09 0.00 0.00 178.44 178.03 1mxh h HIS 32 N 0.35 0.75 0.00 1.13 2.76 -0.77 -0.40 115.15 118.97 1mxh h HIS 32 Ca 0.09 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1mxh h HIS 32 Cb 0.04 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.82 1mxh h HIS 32 CO 0.00 0.84 0.00 1.96 -1.30 0.00 0.00 177.93 179.43 1mxh h GLN 33 N 0.44 0.00 -0.64 5.26 4.20 -0.12 -0.28 115.11 123.98 1mxh h GLN 33 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1mxh h GLN 33 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1mxh h GLN 33 CO 0.04 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.24 1mxh n GLN 34 N -2.93 4.11 -0.32 1.46 6.02 -0.86 -4.92 117.38 119.94 1mxh n GLN 34 Ca -0.03 -2.99 0.00 0.00 -0.01 0.00 0.00 57.00 53.97 1mxh n GLN 34 Cb 0.07 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 29.32 1mxh n GLN 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mxh n GLY 35 N 1.00 0.76 3.80 1.08 0.00 -0.12 -5.06 105.19 106.65 1mxh n GLY 35 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 1mxh n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mxh s PHE 36 N -2.27 3.65 -0.27 1.61 0.08 -0.21 -4.30 117.98 116.25 1mxh s PHE 36 Ca 0.00 1.62 -0.15 0.00 0.12 0.00 0.00 56.93 58.52 1mxh s PHE 36 Cb 0.00 -2.80 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 1mxh s PHE 36 CO 0.00 0.24 0.36 1.03 -0.10 0.00 0.00 175.22 176.74 1mxh s ARG 37 N -2.11 3.99 -0.06 0.44 0.52 0.73 -4.24 118.95 118.22 1mxh s ARG 37 Ca 0.48 -0.01 0.01 0.00 -0.52 0.00 0.00 55.73 55.69 1mxh s ARG 37 Cb -0.17 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.61 1mxh s ARG 37 CO 0.22 -0.28 -0.06 0.14 0.02 0.00 0.00 175.30 175.34 1mxh s VAL 38 N 2.04 3.76 -0.43 3.52 -7.23 -0.38 -0.78 120.40 120.89 1mxh s VAL 38 Ca 0.14 -0.50 -0.12 0.00 -1.81 0.00 0.00 61.98 59.68 1mxh s VAL 38 Cb -0.16 -2.56 0.06 0.00 0.56 0.00 0.00 36.38 34.29 1mxh s VAL 38 CO 0.10 0.57 0.30 -0.69 -0.31 0.00 0.00 175.10 175.07 1mxh s VAL 39 N -0.85 4.72 -0.50 1.32 1.01 -0.31 -1.80 120.40 123.99 1mxh s VAL 39 Ca 0.13 -1.14 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 1mxh s VAL 39 Cb -0.11 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.51 1mxh s VAL 39 CO 0.03 -0.47 0.79 -0.69 0.00 0.00 0.00 175.10 174.75 1mxh s VAL 40 N 1.54 4.63 0.21 2.92 1.01 0.23 -1.83 120.40 129.10 1mxh s VAL 40 Ca 0.03 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1mxh s VAL 40 Cb -0.23 -4.38 -0.07 0.00 0.00 0.00 0.00 36.38 31.70 1mxh s VAL 40 CO 0.05 -0.87 0.55 -2.28 0.00 0.00 0.00 175.10 172.55 1mxh s HIS 41 N 3.31 3.47 0.30 5.22 2.46 -0.86 -1.28 115.29 127.92 1mxh s HIS 41 Ca 0.25 0.94 -0.17 0.00 0.47 0.00 0.00 55.06 56.55 1mxh s HIS 41 Cb -0.14 -2.30 0.02 0.00 -0.13 0.00 0.00 32.58 30.03 1mxh s HIS 41 CO 0.18 0.31 0.68 1.52 -2.47 0.00 0.00 174.74 174.96 1mxh s TYR 42 N -1.72 0.05 0.07 3.88 1.13 -0.52 -1.47 117.35 118.77 1mxh s TYR 42 Ca 0.45 -0.53 0.00 0.00 -1.41 0.00 0.00 57.07 55.58 1mxh s TYR 42 Cb -0.12 0.60 0.00 0.00 -1.10 0.00 0.00 41.96 41.34 1mxh s TYR 42 CO 0.20 -1.27 0.00 -2.13 -2.51 0.00 0.00 175.55 169.85 1mxh n ARG 43 N -0.47 0.00 -0.00 -3.49 0.63 -1.26 -0.41 116.66 111.66 1mxh n ARG 43 Ca -0.04 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.91 1mxh n ARG 43 Cb 0.60 -0.32 -0.03 0.00 0.45 0.00 0.00 32.46 33.16 1mxh n ARG 43 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1mxh n HIS 44 N -3.16 0.00 -1.31 -0.14 8.25 -1.26 -4.67 115.22 112.93 1mxh n HIS 44 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1mxh n HIS 44 Cb 0.00 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.01 1mxh n HIS 44 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1mxh n SER 45 N -1.17 6.82 -0.19 0.41 7.64 -1.26 -4.63 113.62 121.23 1mxh n SER 45 Ca 0.01 -2.73 -0.03 0.00 1.01 0.00 0.00 58.87 57.13 1mxh n SER 45 Cb 0.08 -1.41 0.08 0.00 -1.01 0.00 0.00 64.21 61.94 1mxh n SER 45 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1mxh h GLU 46 N 3.76 0.49 0.85 1.43 4.22 -1.97 -0.52 114.58 122.84 1mxh h GLU 46 Ca 0.49 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.86 1mxh h GLU 46 Cb 0.87 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1mxh h GLU 46 CO 0.94 0.33 -0.47 0.78 -2.18 0.00 0.00 179.01 178.41 1mxh h GLY 47 N 0.51 -1.33 0.62 1.92 0.00 -2.00 -1.19 103.07 101.61 1mxh h GLY 47 Ca 0.26 0.52 0.08 0.00 0.00 0.00 0.00 47.33 48.19 1mxh h GLY 47 CO -0.20 -0.46 0.54 0.00 0.00 0.00 0.00 176.54 176.41 1mxh h ALA 48 N -1.30 1.24 -0.96 3.60 0.00 -1.87 0.24 119.26 120.21 1mxh h ALA 48 Ca -0.12 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1mxh h ALA 48 Cb 0.96 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1mxh h ALA 48 CO 0.15 0.22 0.61 0.00 0.00 0.00 0.00 179.25 180.24 1mxh h ALA 49 N 1.44 1.36 -0.10 0.00 0.00 -0.94 -0.15 119.26 120.89 1mxh h ALA 49 Ca 0.40 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1mxh h ALA 49 Cb 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1mxh h ALA 49 CO -0.21 0.35 -0.21 0.37 0.00 0.00 0.00 179.25 179.56 1mxh h GLN 50 N 1.08 0.31 0.00 0.00 4.15 0.16 -1.96 115.11 118.85 1mxh h GLN 50 Ca 0.43 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.61 1mxh h GLN 50 Cb 0.23 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 1mxh h GLN 50 CO -0.19 0.80 -0.15 0.00 -1.93 0.00 0.00 178.83 177.36 1mxh h ARG 51 N -0.14 0.00 0.02 1.69 3.08 -0.63 -1.91 114.38 116.49 1mxh h ARG 51 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1mxh h ARG 51 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1mxh h ARG 51 CO 0.05 0.15 -0.13 1.25 -1.07 0.00 0.00 179.97 180.22 1mxh h LEU 52 N 0.00 0.08 -2.06 3.04 5.85 -1.04 -2.33 115.31 118.84 1mxh h LEU 52 Ca -0.00 -0.97 0.02 0.00 0.84 0.00 0.00 57.88 57.77 1mxh h LEU 52 Cb 0.28 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1mxh h LEU 52 CO 0.02 1.04 0.04 0.58 -0.34 0.00 0.00 178.44 179.78 1mxh h VAL 53 N -0.87 0.91 0.14 1.05 2.07 -1.27 -0.80 116.25 117.47 1mxh h VAL 53 Ca -0.02 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.27 1mxh h VAL 53 Cb 1.07 0.97 0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1mxh h VAL 53 CO 0.02 0.00 -0.98 0.00 0.02 0.00 0.00 177.57 176.63 1mxh h ALA 54 N 1.97 -0.07 -0.30 1.67 0.00 -1.43 -2.69 119.26 118.41 1mxh h ALA 54 Ca 0.03 -0.72 0.04 0.00 0.00 0.00 0.00 54.91 54.25 1mxh h ALA 54 Cb 0.11 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1mxh h ALA 54 CO -0.00 0.48 0.08 1.49 0.00 0.00 0.00 179.25 181.30 1mxh h GLU 55 N -0.12 0.20 -0.78 0.00 4.81 -0.77 0.19 114.58 118.10 1mxh h GLU 55 Ca -0.16 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1mxh h GLU 55 Cb 1.74 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 31.04 1mxh h GLU 55 CO 0.19 0.13 0.35 -0.07 -0.73 0.00 0.00 179.01 178.87 1mxh h LEU 56 N 0.20 1.04 -1.12 1.64 3.38 -1.27 -1.78 115.31 117.41 1mxh h LEU 56 Ca 0.14 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1mxh h LEU 56 Cb 0.13 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1mxh h LEU 56 CO -0.17 0.90 -0.19 0.78 0.09 0.00 0.00 178.44 179.86 1mxh h ASN 57 N 1.13 0.00 -0.35 -0.43 -0.26 -1.02 0.10 115.58 114.75 1mxh h ASN 57 Ca 0.27 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.86 1mxh h ASN 57 Cb 0.16 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 1mxh h ASN 57 CO -0.03 0.19 -0.36 0.00 -1.06 0.00 0.00 177.43 176.17 1mxh h ALA 58 N 1.81 0.51 -0.00 -0.83 0.00 0.20 -2.88 119.26 118.07 1mxh h ALA 58 Ca -0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1mxh h ALA 58 Cb 0.73 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1mxh h ALA 58 CO 0.02 0.60 -0.72 0.00 0.00 0.00 0.00 179.25 179.15 1mxh h ALA 59 N 0.74 0.80 -1.72 0.00 0.00 -0.93 -3.43 119.26 114.72 1mxh h ALA 59 Ca 0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1mxh h ALA 59 Cb 0.95 -0.11 -0.26 0.00 0.00 0.00 0.00 17.79 18.37 1mxh h ALA 59 CO 0.09 0.88 -0.37 1.03 0.00 0.00 0.00 179.25 180.88 1mxh s ARG 60 N -3.39 0.43 0.19 0.00 0.52 -0.02 -5.11 118.95 111.57 1mxh s ARG 60 Ca -0.01 0.82 -0.33 0.00 -0.52 0.00 0.00 55.73 55.69 1mxh s ARG 60 Cb 0.12 0.05 -0.14 0.00 0.52 0.00 0.00 34.95 35.50 1mxh s ARG 60 CO 0.78 -0.55 1.46 0.00 0.02 0.00 0.00 175.30 177.01 1mxh n ALA 61 N 5.39 0.91 -3.30 2.13 0.00 -1.10 -2.34 120.51 122.20 1mxh n ALA 61 Ca -0.04 0.44 -0.24 0.00 0.00 0.00 0.00 53.44 53.60 1mxh n ALA 61 Cb 0.50 -2.27 0.04 0.00 0.00 0.00 0.00 19.45 17.72 1mxh n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mxh n GLY 62 N 2.71 -0.52 0.14 0.00 0.00 -1.26 -4.89 105.19 101.36 1mxh n GLY 62 Ca 0.15 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.40 1mxh n GLY 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mxh n SER 63 N -2.63 1.03 -3.71 1.61 3.41 -0.99 -4.97 113.62 107.36 1mxh n SER 63 Ca -0.05 -1.01 -0.12 0.00 -0.26 0.00 0.00 58.87 57.43 1mxh n SER 63 Cb 0.58 0.79 -0.12 0.00 -0.26 0.00 0.00 64.21 65.21 1mxh n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mxh s ALA 64 N -2.15 -0.78 0.27 7.33 0.00 -1.26 -1.25 121.76 123.92 1mxh s ALA 64 Ca 0.08 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.34 1mxh s ALA 64 Cb 0.11 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 1mxh s ALA 64 CO 0.51 -0.24 -0.07 0.54 0.00 0.00 0.00 175.76 176.50 1mxh s VAL 65 N 1.36 1.65 0.32 0.00 0.11 -0.75 -4.82 120.40 118.27 1mxh s VAL 65 Ca -0.09 -2.14 0.08 0.00 -2.93 0.00 0.00 61.98 56.90 1mxh s VAL 65 Cb -0.10 -2.38 -0.06 0.00 -1.53 0.00 0.00 36.38 32.31 1mxh s VAL 65 CO -0.10 -0.35 -0.07 -1.48 -3.33 0.00 0.00 175.10 169.77 1mxh s LEU 66 N -3.42 2.63 -0.23 2.54 2.34 -1.26 -0.60 118.68 120.68 1mxh s LEU 66 Ca 0.28 -1.21 -0.08 0.00 0.06 0.00 0.00 54.13 53.18 1mxh s LEU 66 Cb 0.03 -0.84 0.10 0.00 -0.56 0.00 0.00 46.19 44.92 1mxh s LEU 66 CO 0.11 -0.28 0.49 0.00 -1.06 0.00 0.00 176.35 175.61 1mxh s LYS 68 N 2.63 4.12 -0.28 0.00 2.20 -1.26 -1.44 119.74 125.71 1mxh s LYS 68 Ca -0.03 0.65 -0.27 0.00 -0.36 0.00 0.00 55.97 55.95 1mxh s LYS 68 Cb -0.12 -3.17 0.18 0.00 -1.51 0.00 0.00 37.83 33.21 1mxh s LYS 68 CO -0.15 0.61 1.35 0.20 -0.36 0.00 0.00 175.35 177.01 1mxh s GLY 69 N -1.23 0.17 -0.09 5.54 0.00 0.45 -4.93 107.32 107.24 1mxh s GLY 69 Ca 0.30 3.08 -0.12 0.00 0.00 0.00 0.00 44.72 47.98 1mxh s GLY 69 CO 0.18 1.53 0.29 -0.35 0.00 0.00 0.00 173.10 174.75 1mxh s ASP 70 N -0.47 6.56 -0.00 1.64 2.15 -1.26 -4.24 116.67 121.04 1mxh s ASP 70 Ca 0.07 0.66 0.15 0.00 0.43 0.00 0.00 52.55 53.86 1mxh s ASP 70 Cb -0.03 -2.17 0.43 0.00 -0.30 0.00 0.00 42.92 40.85 1mxh s ASP 70 CO -0.11 0.27 1.36 0.18 -0.17 0.00 0.00 175.17 176.70 1mxh n LEU 71 N 2.50 3.32 -4.77 -1.34 4.77 -1.26 -4.92 117.00 115.30 1mxh n LEU 71 Ca -0.15 -2.00 -0.33 0.00 -0.03 0.00 0.00 56.01 53.50 1mxh n LEU 71 Cb 0.53 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1mxh n LEU 71 CO 0.36 0.83 0.74 -0.44 -1.33 0.00 0.00 177.39 177.55 1mxh s SER 72 N -1.00 4.96 0.35 -1.43 0.01 -1.26 -2.62 113.70 112.71 1mxh s SER 72 Ca 0.33 2.01 -0.29 0.00 1.31 0.00 0.00 55.95 59.31 1mxh s SER 72 Cb 0.17 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.74 1mxh s SER 72 CO 0.22 -1.73 1.52 -0.76 0.41 0.00 0.00 173.24 172.90 1mxh s LEU 73 N -5.01 4.33 0.00 2.44 1.43 0.13 -4.68 118.68 117.31 1mxh s LEU 73 Ca 0.67 3.02 0.00 0.00 -1.03 0.00 0.00 54.13 56.79 1mxh s LEU 73 Cb -0.21 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1mxh s LEU 73 CO 0.43 -0.89 0.00 -1.54 0.23 0.00 0.00 176.35 174.59 1mxh n SER 74 N 1.03 0.00 0.27 2.29 3.41 -1.26 -4.85 113.62 114.50 1mxh n SER 74 Ca 0.03 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.82 1mxh n SER 74 Cb 0.39 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.08 1mxh n SER 74 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1mxh h SER 75 N 0.00 0.00 -0.58 4.04 4.64 -2.05 -2.81 113.55 116.79 1mxh h SER 75 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mxh h SER 75 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1mxh h SER 75 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1mxh n SER 76 N -2.96 3.62 -0.04 4.97 7.64 -1.26 -4.55 113.62 121.04 1mxh n SER 76 Ca 0.00 -1.99 -0.15 0.00 1.01 0.00 0.00 58.87 57.75 1mxh n SER 76 Cb 0.25 -0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.98 1mxh n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1mxh h LEU 77 N 3.80 0.40 -0.48 -3.43 5.85 -1.77 -2.56 115.31 117.12 1mxh h LEU 77 Ca 0.00 -0.62 0.07 0.00 0.84 0.00 0.00 57.88 58.18 1mxh h LEU 77 Cb 0.92 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 1mxh h LEU 77 CO 0.00 0.95 0.14 0.25 -0.34 0.00 0.00 178.44 179.43 1mxh h LEU 78 N -0.12 0.09 -0.73 2.25 6.46 -1.80 -1.38 115.31 120.07 1mxh h LEU 78 Ca -0.01 0.07 -0.13 0.00 -0.12 0.00 0.00 57.88 57.69 1mxh h LEU 78 Cb 0.92 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1mxh h LEU 78 CO 0.06 0.08 -0.61 0.44 -0.62 0.00 0.00 178.44 177.79 1mxh h ASP 79 N 0.29 0.00 -0.43 1.25 3.32 -1.86 -2.58 116.42 116.42 1mxh h ASP 79 Ca 0.23 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1mxh h ASP 79 Cb 0.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1mxh h ASP 79 CO -0.27 0.61 0.05 0.00 -1.72 0.00 0.00 179.24 177.91 1mxh h GLU 82 N 0.87 0.57 -0.07 0.00 4.39 -1.25 -1.99 114.58 117.10 1mxh h GLU 82 Ca 0.14 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 1mxh h GLU 82 Cb 0.65 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1mxh h GLU 82 CO 0.04 0.38 -0.25 -0.44 -1.16 0.00 0.00 179.01 177.58 1mxh h ASP 83 N 0.59 0.12 -0.38 1.42 3.32 -0.79 0.31 116.42 121.00 1mxh h ASP 83 Ca 0.22 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 1mxh h ASP 83 Cb 0.08 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1mxh h ASP 83 CO -0.13 0.38 -0.15 0.40 -1.72 0.00 0.00 179.24 178.02 1mxh h ILE 84 N 0.11 1.28 -0.13 0.35 2.04 -0.50 0.66 117.51 121.33 1mxh h ILE 84 Ca 0.02 -1.27 -0.12 0.00 1.00 0.00 0.00 64.86 64.49 1mxh h ILE 84 Cb 0.51 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1mxh h ILE 84 CO 0.04 0.42 -0.39 0.40 0.00 0.00 0.00 178.15 178.62 1mxh h ILE 85 N 0.57 1.36 -0.10 -0.67 1.08 -1.10 -2.97 117.51 115.68 1mxh h ILE 85 Ca 0.09 -1.68 0.03 0.00 -0.39 0.00 0.00 64.86 62.91 1mxh h ILE 85 Cb 0.69 2.08 -0.00 0.00 -3.07 0.00 0.00 36.82 36.52 1mxh h ILE 85 CO 0.05 0.50 0.09 -0.78 -0.69 0.00 0.00 178.15 177.32 1mxh h ASP 86 N 0.10 0.00 0.48 1.72 3.58 -0.31 0.76 116.42 122.75 1mxh h ASP 86 Ca -0.01 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 1mxh h ASP 86 Cb 1.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 1mxh h ASP 86 CO 0.08 0.00 -0.18 0.00 -2.88 0.00 0.00 179.24 176.26 1mxh h SER 88 N 0.00 0.64 0.77 0.00 0.87 -0.90 -2.42 113.55 112.50 1mxh h SER 88 Ca -0.00 -0.67 -0.10 0.00 -1.23 0.00 0.00 61.79 59.79 1mxh h SER 88 Cb 0.47 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1mxh h SER 88 CO 0.02 1.52 -0.45 -0.26 -0.53 0.00 0.00 176.83 177.13 1mxh h PHE 89 N 0.12 0.00 0.16 2.24 0.04 -1.36 -0.01 116.94 118.14 1mxh h PHE 89 Ca -0.19 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.37 1mxh h PHE 89 Cb 2.04 0.00 0.02 0.00 2.20 0.00 0.00 35.95 40.21 1mxh h PHE 89 CO 0.09 0.45 -0.95 0.00 -0.60 0.00 0.00 178.31 177.31 1mxh h ARG 90 N 0.00 0.34 0.00 1.51 3.08 -1.37 0.27 114.38 118.21 1mxh h ARG 90 Ca -0.00 -0.59 -0.13 0.00 0.07 0.00 0.00 59.98 59.33 1mxh h ARG 90 Cb 0.96 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1mxh h ARG 90 CO 0.06 1.28 -0.64 0.00 -1.07 0.00 0.00 179.97 179.60 1mxh h ALA 91 N 0.09 0.83 0.00 0.04 0.00 -1.42 -3.38 119.26 115.42 1mxh h ALA 91 Ca -0.17 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1mxh h ALA 91 Cb 1.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1mxh h ALA 91 CO 0.17 0.80 0.00 1.19 0.00 0.00 0.00 179.25 181.41 1mxh n PHE 92 N -3.61 0.00 -0.83 0.00 3.72 -0.03 -5.01 117.46 111.70 1mxh n PHE 92 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1mxh n PHE 92 Cb 0.67 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 1mxh n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mxh n GLY 93 N 0.02 0.48 3.42 1.37 0.00 0.94 -4.93 105.19 106.49 1mxh n GLY 93 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1mxh n GLY 93 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mxh s ARG 94 N -0.56 1.25 -0.23 1.61 1.70 -1.25 -4.87 118.95 116.60 1mxh s ARG 94 Ca 0.00 -0.59 -0.03 0.00 -0.47 0.00 0.00 55.73 54.63 1mxh s ARG 94 Cb 0.00 0.55 0.11 0.00 -0.57 0.00 0.00 34.95 35.04 1mxh s ARG 94 CO 0.00 -0.53 0.29 0.00 -1.08 0.00 0.00 175.30 173.97 1mxh n ASP 96 N 5.34 1.27 -4.06 0.00 9.92 0.76 -4.95 116.55 124.83 1mxh n ASP 96 Ca -0.04 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.02 1mxh n ASP 96 Cb 0.50 1.19 -0.14 0.00 -0.64 0.00 0.00 41.12 42.02 1mxh n ASP 96 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1mxh s VAL 97 N -2.64 0.85 -0.10 2.53 1.01 -0.92 -1.94 120.40 119.19 1mxh s VAL 97 Ca -0.07 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 1mxh s VAL 97 Cb 0.07 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.73 1mxh s VAL 97 CO 0.64 0.15 -0.06 -0.22 0.00 0.00 0.00 175.10 175.61 1mxh s LEU 98 N -0.50 1.10 -0.32 3.92 2.96 -1.06 -0.51 118.68 124.27 1mxh s LEU 98 Ca 0.03 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1mxh s LEU 98 Cb -0.05 -0.73 0.05 0.00 0.50 0.00 0.00 46.19 45.96 1mxh s LEU 98 CO -0.00 -0.12 0.04 -0.69 -1.32 0.00 0.00 176.35 174.26 1mxh s VAL 99 N 1.63 3.22 -1.15 1.68 1.01 0.22 -1.07 120.40 125.93 1mxh s VAL 99 Ca 0.02 -1.36 -0.18 0.00 0.00 0.00 0.00 61.98 60.47 1mxh s VAL 99 Cb -0.13 -2.86 0.11 0.00 0.00 0.00 0.00 36.38 33.50 1mxh s VAL 99 CO -0.06 -0.16 1.48 0.20 0.00 0.00 0.00 175.10 176.56 1mxh s ASN 100 N 1.33 6.81 -0.22 3.32 0.02 -0.30 -2.13 114.94 123.77 1mxh s ASN 100 Ca -0.03 -2.37 0.10 0.00 -1.02 0.00 0.00 52.86 49.54 1mxh s ASN 100 Cb -0.20 -2.49 -0.20 0.00 0.02 0.00 0.00 41.25 38.38 1mxh s ASN 100 CO -0.00 -1.08 -0.07 -3.20 0.02 0.00 0.00 177.10 172.77 1mxh n ASN 101 N 7.27 1.10 -4.58 -1.22 2.85 -1.25 -1.50 115.26 117.93 1mxh n ASN 101 Ca 0.38 -0.06 -0.52 0.00 -0.11 0.00 0.00 54.58 54.26 1mxh n ASN 101 Cb 0.46 0.32 -0.06 0.00 1.24 0.00 0.00 39.78 41.75 1mxh n ASN 101 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mxh n ALA 102 N -2.96 -1.09 -3.64 5.20 0.00 -0.93 -4.86 120.51 112.22 1mxh n ALA 102 Ca -0.38 0.52 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 1mxh n ALA 102 Cb 1.05 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 1mxh n ALA 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mxh s SER 103 N 0.42 -0.99 0.18 0.00 0.15 -1.26 -4.44 113.70 107.77 1mxh s SER 103 Ca 0.84 1.52 -0.19 0.00 0.70 0.00 0.00 55.95 58.82 1mxh s SER 103 Cb -0.96 1.63 -0.08 0.00 -1.71 0.00 0.00 66.02 64.90 1mxh s SER 103 CO 0.48 -0.23 0.67 0.00 1.20 0.00 0.00 173.24 175.35 1mxh s ALA 104 N 1.97 3.48 -0.20 5.45 0.00 -1.26 -5.03 121.76 126.16 1mxh s ALA 104 Ca -0.09 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.91 1mxh s ALA 104 Cb -0.07 -2.73 0.10 0.00 0.00 0.00 0.00 23.12 20.42 1mxh s ALA 104 CO -0.20 0.37 0.36 -0.47 0.00 0.00 0.00 175.76 175.82 1mxh s TYR 105 N -1.45 -0.70 -0.17 0.00 5.04 -1.26 -4.89 117.35 113.93 1mxh s TYR 105 Ca 0.40 1.04 -0.32 0.00 -2.44 0.00 0.00 57.07 55.74 1mxh s TYR 105 Cb -0.17 0.07 0.14 0.00 0.35 0.00 0.00 41.96 42.35 1mxh s TYR 105 CO 0.21 -0.57 1.14 1.52 -1.34 0.00 0.00 175.55 176.51 1mxh s TYR 106 N 2.53 -0.20 0.70 4.97 -0.85 -1.26 -5.17 117.35 118.06 1mxh s TYR 106 Ca 0.05 0.20 -0.16 0.00 -0.52 0.00 0.00 57.07 56.64 1mxh s TYR 106 Cb -0.14 0.50 0.02 0.00 0.38 0.00 0.00 41.96 42.73 1mxh s TYR 106 CO -0.13 -0.26 1.22 -1.25 -1.52 0.00 0.00 175.55 173.60 1mxh s PRO 107 N -2.12 2.34 -0.41 -3.49 0.04 -1.26 -4.70 135.00 125.40 1mxh s PRO 107 Ca 0.07 1.80 0.09 0.00 0.04 0.00 0.00 61.00 62.99 1mxh s PRO 107 Cb -0.01 -1.85 0.31 0.00 0.04 0.00 0.00 34.50 32.99 1mxh s PRO 107 CO -0.05 -1.69 0.82 0.25 0.04 0.00 0.00 177.00 176.37 1mxh n THR 108 N -2.43 -0.20 -1.63 1.26 -2.24 0.34 -4.97 114.28 104.41 1mxh n THR 108 Ca 0.14 -3.31 -0.50 0.00 -2.27 0.00 0.00 64.05 58.11 1mxh n THR 108 Cb 0.50 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 1mxh n THR 108 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1mxh n PRO 109 N 0.65 1.58 0.17 -0.78 -0.04 -1.19 -4.51 135.00 130.87 1mxh n PRO 109 Ca 0.17 0.57 0.05 0.00 -0.04 0.00 0.00 63.50 64.25 1mxh n PRO 109 Cb 0.64 -2.28 0.49 0.00 -0.04 0.00 0.00 33.50 32.32 1mxh n PRO 109 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1mxh h LEU 110 N 5.56 0.15 -8.95 1.53 3.38 -2.01 -3.41 115.31 111.56 1mxh h LEU 110 Ca -0.47 -0.02 -0.69 0.00 0.09 0.00 0.00 57.88 56.80 1mxh h LEU 110 Cb 1.30 -0.04 -0.22 0.00 0.09 0.00 0.00 40.66 41.79 1mxh h LEU 110 CO 0.84 0.22 -0.78 -0.76 0.09 0.00 0.00 178.44 178.06 1mxh s LEU 111 N -8.94 2.72 -0.01 1.67 2.01 -1.26 -5.26 118.68 109.61 1mxh s LEU 111 Ca -0.05 -0.27 -0.38 0.00 0.01 0.00 0.00 54.13 53.44 1mxh s LEU 111 Cb 0.16 -1.57 -0.16 0.00 0.01 0.00 0.00 46.19 44.63 1mxh s LEU 111 CO 0.71 0.31 1.45 -2.65 1.01 0.00 0.00 176.35 177.18 1mxh n PRO 112 N 1.99 1.14 -3.36 1.29 -0.02 -1.26 -5.16 135.00 129.62 1mxh n PRO 112 Ca -0.17 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.35 1mxh n PRO 112 Cb 0.52 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 1mxh n PRO 112 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1mxh s PRO 124 N 1.33 4.19 0.12 0.52 0.04 -1.26 -5.16 135.00 134.78 1mxh s PRO 124 Ca 0.88 0.49 -0.33 0.00 0.04 0.00 0.00 61.00 62.09 1mxh s PRO 124 Cb -0.99 -3.34 -0.11 0.00 0.04 0.00 0.00 34.50 30.11 1mxh s PRO 124 CO 0.52 0.40 1.56 0.97 0.04 0.00 0.00 177.00 180.49 1mxh h ILE 125 N 4.20 0.02 0.00 0.56 6.09 -2.02 -0.32 117.51 126.04 1mxh h ILE 125 Ca -0.46 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1mxh h ILE 125 Cb 1.20 0.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.51 1mxh h ILE 125 CO 0.69 0.00 -0.01 -2.24 -3.07 0.00 0.00 178.15 173.52 1mxh h ASP 126 N -0.54 0.00 0.17 2.19 3.04 -2.05 0.32 116.42 119.55 1mxh h ASP 126 Ca 0.05 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.61 1mxh h ASP 126 Cb 0.66 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.96 1mxh h ASP 126 CO -0.46 0.01 -0.89 0.00 -2.04 0.00 0.00 179.24 175.85 1mxh h ALA 127 N 1.99 0.35 -0.29 4.15 0.00 -1.69 -1.67 119.26 122.10 1mxh h ALA 127 Ca -0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 54.91 54.14 1mxh h ALA 127 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1mxh h ALA 127 CO 0.00 0.76 -0.20 1.96 0.00 0.00 0.00 179.25 181.77 1mxh h GLN 128 N 0.33 0.65 -0.74 0.00 4.20 0.76 -1.72 115.11 118.58 1mxh h GLN 128 Ca -0.08 -0.31 0.04 0.00 0.06 0.00 0.00 58.65 58.37 1mxh h GLN 128 Cb 1.52 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.24 1mxh h GLN 128 CO 0.16 0.91 0.45 0.28 -0.67 0.00 0.00 178.83 179.96 1mxh h VAL 129 N 0.40 1.06 -0.60 -0.54 2.07 -0.47 0.49 116.25 118.66 1mxh h VAL 129 Ca 0.06 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1mxh h VAL 129 Cb 0.74 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1mxh h VAL 129 CO 0.05 0.16 0.34 0.00 0.02 0.00 0.00 177.57 178.14 1mxh h ALA 130 N 1.34 0.77 0.14 1.67 0.00 -1.07 -0.81 119.26 121.30 1mxh h ALA 130 Ca 0.31 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 1mxh h ALA 130 Cb 0.09 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 17.66 1mxh h ALA 130 CO -0.14 0.27 -1.08 1.49 0.00 0.00 0.00 179.25 179.80 1mxh h GLU 131 N 0.81 0.47 -0.31 0.00 4.81 -0.71 0.38 114.58 120.03 1mxh h GLU 131 Ca 0.21 -0.70 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 1mxh h GLU 131 Cb 0.02 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1mxh h GLU 131 CO -0.04 1.32 -0.03 -0.07 -0.73 0.00 0.00 179.01 179.46 1mxh h LEU 132 N -0.02 0.56 -0.25 1.64 3.38 -0.06 -2.39 115.31 118.17 1mxh h LEU 132 Ca -0.18 -0.33 -0.21 0.00 0.09 0.00 0.00 57.88 57.25 1mxh h LEU 132 Cb 1.81 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 1mxh h LEU 132 CO 0.20 0.76 -0.87 -0.26 0.09 0.00 0.00 178.44 178.36 1mxh h PHE 133 N 0.35 0.59 0.88 1.13 -1.00 -1.28 -2.63 116.94 114.98 1mxh h PHE 133 Ca 0.08 -0.30 -0.04 0.00 2.81 0.00 0.00 57.97 60.52 1mxh h PHE 133 Cb 0.49 -0.08 0.01 0.00 3.61 0.00 0.00 35.95 39.98 1mxh h PHE 133 CO 0.04 1.10 -0.42 0.78 -1.61 0.00 0.00 178.31 178.20 1mxh h GLY 134 N 1.25 -1.23 0.99 -1.45 0.00 -1.33 -0.44 103.07 100.87 1mxh h GLY 134 Ca -0.06 0.46 0.01 0.00 0.00 0.00 0.00 47.33 47.73 1mxh h GLY 134 CO 0.15 -0.45 0.45 1.48 0.00 0.00 0.00 176.54 178.17 1mxh h SER 135 N -1.28 0.77 1.17 0.19 4.64 -1.17 0.71 113.55 118.57 1mxh h SER 135 Ca -0.12 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1mxh h SER 135 Cb 0.91 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1mxh h SER 135 CO 0.20 0.55 -0.50 0.78 -0.87 0.00 0.00 176.83 176.99 1mxh h ASN 136 N 0.91 0.00 0.00 4.97 2.35 -1.52 -3.42 115.58 118.87 1mxh h ASN 136 Ca 0.25 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1mxh h ASN 136 Cb -0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1mxh h ASN 136 CO -0.06 0.05 0.00 0.00 -1.65 0.00 0.00 177.43 175.77 1mxh n ALA 137 N -1.93 2.73 -0.22 -0.83 0.00 -0.29 -4.46 120.51 115.52 1mxh n ALA 137 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 1mxh n ALA 137 Cb 0.47 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.96 1mxh n ALA 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mxh h VAL 138 N 0.00 1.18 -0.08 0.00 2.07 -1.30 -0.91 116.25 117.22 1mxh h VAL 138 Ca 0.00 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1mxh h VAL 138 Cb 0.00 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1mxh h VAL 138 CO 0.00 0.19 0.05 0.00 0.02 0.00 0.00 177.57 177.83 1mxh h ALA 139 N 1.18 0.11 -0.79 1.67 0.00 -1.05 -0.93 119.26 119.44 1mxh h ALA 139 Ca 0.22 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1mxh h ALA 139 Cb -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1mxh h ALA 139 CO -0.04 -0.36 0.52 -1.35 0.00 0.00 0.00 179.25 178.01 1mxh h PRO 140 N 0.06 0.66 0.29 0.00 0.11 -1.68 0.21 132.00 131.65 1mxh h PRO 140 Ca 0.03 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1mxh h PRO 140 Cb 0.06 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1mxh h PRO 140 CO -0.01 0.44 -0.14 1.25 -0.21 0.00 0.00 178.00 179.33 1mxh h LEU 141 N 0.68 -0.33 -0.88 2.35 5.85 -0.42 -0.67 115.31 121.89 1mxh h LEU 141 Ca 0.37 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 1mxh h LEU 141 Cb 0.51 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1mxh h LEU 141 CO -0.14 -0.20 0.30 -0.26 -0.34 0.00 0.00 178.44 177.80 1mxh h PHE 142 N -0.44 1.14 0.12 1.25 0.04 -0.27 -1.04 116.94 117.74 1mxh h PHE 142 Ca -0.04 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1mxh h PHE 142 Cb 0.34 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1mxh h PHE 142 CO -0.04 0.86 -0.06 -0.07 -0.60 0.00 0.00 178.31 178.40 1mxh h LEU 143 N 1.09 -0.14 -1.21 1.54 3.38 -0.47 0.35 115.31 119.85 1mxh h LEU 143 Ca 0.25 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1mxh h LEU 143 Cb 0.21 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1mxh h LEU 143 CO -0.02 -0.05 0.54 0.40 0.09 0.00 0.00 178.44 179.40 1mxh h ILE 144 N -0.23 1.19 -0.18 1.22 2.04 -0.92 0.14 117.51 120.77 1mxh h ILE 144 Ca -0.02 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1mxh h ILE 144 Cb 0.18 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1mxh h ILE 144 CO 0.03 0.20 0.06 -0.09 0.00 0.00 0.00 178.15 178.34 1mxh h ARG 145 N 1.08 0.28 -0.17 2.37 2.43 -0.87 0.17 114.38 119.67 1mxh h ARG 145 Ca 0.30 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1mxh h ARG 145 Cb -0.09 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1mxh h ARG 145 CO -0.07 0.39 0.04 0.00 -1.51 0.00 0.00 179.97 178.82 1mxh h ALA 146 N 0.88 0.22 -0.33 2.80 0.00 -0.46 -1.39 119.26 120.98 1mxh h ALA 146 Ca 0.06 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1mxh h ALA 146 Cb 0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1mxh h ALA 146 CO -0.00 -0.14 -0.00 0.35 0.00 0.00 0.00 179.25 179.45 1mxh h PHE 147 N 0.08 -0.02 -0.39 0.00 3.04 -0.61 -1.91 116.94 117.13 1mxh h PHE 147 Ca 0.05 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.93 1mxh h PHE 147 Cb 0.25 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 1mxh h PHE 147 CO 0.01 -0.06 -0.13 0.00 -2.02 0.00 0.00 178.31 176.10 1mxh h ALA 148 N 1.29 0.54 0.00 2.41 0.00 -0.59 -3.10 119.26 119.81 1mxh h ALA 148 Ca 0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1mxh h ALA 148 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1mxh h ALA 148 CO -0.27 0.44 -0.17 0.00 0.00 0.00 0.00 179.25 179.24 1mxh h ARG 149 N 0.58 0.00 -0.06 0.00 3.08 -1.00 -2.72 114.38 114.26 1mxh h ARG 149 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1mxh h ARG 149 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1mxh h ARG 149 CO 0.05 0.17 0.00 0.54 -1.07 0.00 0.00 179.97 179.66 1mxh n ARG 150 N -4.18 1.62 -2.01 0.04 1.74 -0.74 -5.10 116.66 108.03 1mxh n ARG 150 Ca -0.02 -0.92 -0.26 0.00 -0.77 0.00 0.00 57.85 55.88 1mxh n ARG 150 Cb 0.24 -1.45 0.17 0.00 -1.02 0.00 0.00 32.46 30.40 1mxh n ARG 150 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1mxh n GLN 151 N 0.12 -0.85 -4.26 5.56 1.13 -1.03 -5.06 117.38 112.99 1mxh n GLN 151 Ca 0.18 -2.15 -0.14 0.00 -1.94 0.00 0.00 57.00 52.95 1mxh n GLN 151 Cb 0.33 -1.08 -0.10 0.00 0.11 0.00 0.00 30.24 29.50 1mxh n GLN 151 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1mxh s SER 159 N -5.35 1.13 0.00 1.08 0.01 -1.26 -5.11 113.70 104.21 1mxh s SER 159 Ca 0.68 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1mxh s SER 159 Cb -0.02 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1mxh s SER 159 CO 0.47 -0.65 0.00 -2.11 0.41 0.00 0.00 173.24 171.37 1mxh n ARG 160 N -0.32 3.84 -3.66 12.44 0.00 -1.26 -5.10 116.66 122.60 1mxh n ARG 160 Ca -0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.53 1mxh n ARG 160 Cb 0.64 0.00 -0.12 0.00 -0.00 0.00 0.00 32.46 32.99 1mxh n ARG 160 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1mxh s ASN 161 N 0.05 3.25 -0.11 2.89 2.47 -1.26 -5.10 114.94 117.13 1mxh s ASN 161 Ca 0.00 -3.24 -0.23 0.00 0.42 0.00 0.00 52.86 49.81 1mxh s ASN 161 Cb 0.00 -1.03 -0.03 0.00 -1.45 0.00 0.00 41.25 38.74 1mxh s ASN 161 CO 0.00 -0.16 0.71 -0.76 -3.72 0.00 0.00 177.10 173.16 1mxh s LEU 162 N -0.41 4.26 0.02 3.21 1.43 -1.26 -4.81 118.68 121.11 1mxh s LEU 162 Ca 0.26 1.11 -0.20 0.00 -1.03 0.00 0.00 54.13 54.27 1mxh s LEU 162 Cb -0.07 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.13 1mxh s LEU 162 CO -0.13 -0.20 0.46 -0.94 0.23 0.00 0.00 176.35 175.77 1mxh s SER 163 N 0.94 -0.36 -0.07 2.29 1.04 -0.82 -1.75 113.70 114.97 1mxh s SER 163 Ca 0.36 0.16 0.05 0.00 0.48 0.00 0.00 55.95 57.00 1mxh s SER 163 Cb -0.17 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 1mxh s SER 163 CO 0.15 -0.62 -0.25 -0.69 0.98 0.00 0.00 173.24 172.81 1mxh s VAL 164 N -2.04 2.05 -0.21 5.02 1.01 0.17 -2.58 120.40 123.81 1mxh s VAL 164 Ca -0.08 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.87 1mxh s VAL 164 Cb -0.02 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.66 1mxh s VAL 164 CO 0.01 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 174.84 1mxh s VAL 165 N 0.02 1.97 0.02 2.92 1.01 -0.23 -0.69 120.40 125.41 1mxh s VAL 165 Ca -0.09 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.58 1mxh s VAL 165 Cb -0.15 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 1mxh s VAL 165 CO 0.06 0.25 0.38 0.20 0.00 0.00 0.00 175.10 175.98 1mxh s ASN 166 N 1.26 6.72 -0.43 3.32 0.01 0.09 -1.15 114.94 124.76 1mxh s ASN 166 Ca -0.01 0.86 -0.19 0.00 -0.71 0.00 0.00 52.86 52.81 1mxh s ASN 166 Cb -0.16 -2.21 0.02 0.00 0.41 0.00 0.00 41.25 39.31 1mxh s ASN 166 CO -0.09 0.28 0.53 -0.76 -1.51 0.00 0.00 177.10 175.55 1mxh s LEU 167 N -1.35 4.71 0.00 0.60 2.01 -0.56 -0.98 118.68 123.10 1mxh s LEU 167 Ca 0.26 -0.53 0.00 0.00 0.01 0.00 0.00 54.13 53.87 1mxh s LEU 167 Cb -0.15 -2.54 0.00 0.00 0.01 0.00 0.00 46.19 43.51 1mxh s LEU 167 CO 0.14 -0.67 0.00 0.00 1.01 0.00 0.00 176.35 176.83 1mxh s ASP 169 N -1.00 0.95 0.64 0.00 -1.08 -1.26 -4.13 116.67 110.78 1mxh s ASP 169 Ca 0.00 -0.03 0.41 0.00 -0.52 0.00 0.00 52.55 52.42 1mxh s ASP 169 Cb 0.00 0.64 2.14 0.00 -1.46 0.00 0.00 42.92 44.24 1mxh s ASP 169 CO 0.00 -0.31 2.27 0.00 0.52 0.00 0.00 175.17 177.65 1mxh h ALA 170 N 8.27 1.02 -0.03 3.66 0.00 -1.18 -2.73 119.26 128.27 1mxh h ALA 170 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1mxh h ALA 170 Cb 1.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1mxh h ALA 170 CO 0.27 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.19 1mxh n MET 171 N -3.11 1.87 0.00 0.00 2.81 -1.26 -4.26 117.12 113.17 1mxh n MET 171 Ca -0.02 -1.26 0.05 0.00 -1.81 0.00 0.00 57.70 54.66 1mxh n MET 171 Cb 0.13 -1.47 0.22 0.00 -0.71 0.00 0.00 33.22 31.39 1mxh n MET 171 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1mxh n THR 172 N 0.53 1.06 0.17 2.03 -2.24 -1.03 -0.25 114.28 114.55 1mxh n THR 172 Ca 0.17 0.27 0.06 0.00 -2.27 0.00 0.00 64.05 62.28 1mxh n THR 172 Cb 0.43 -1.11 0.07 0.00 -2.10 0.00 0.00 70.33 67.62 1mxh n THR 172 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1mxh h ASP 173 N 0.00 0.00 -2.64 3.42 3.32 -1.83 -3.31 116.42 115.37 1mxh h ASP 173 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1mxh h ASP 173 Cb 0.12 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.29 1mxh h ASP 173 CO 0.00 0.32 -0.28 0.18 -1.72 0.00 0.00 179.24 177.73 1mxh n LEU 174 N -3.17 4.15 -4.33 1.55 4.77 0.65 -5.06 117.00 115.56 1mxh n LEU 174 Ca 0.02 -5.32 -0.60 0.00 -0.03 0.00 0.00 56.01 50.08 1mxh n LEU 174 Cb 0.66 -0.85 -0.11 0.00 -2.33 0.00 0.00 43.42 40.79 1mxh n LEU 174 CO 0.38 1.87 1.67 -2.65 -1.33 0.00 0.00 177.39 177.33 1mxh n PRO 175 N 1.35 0.12 -1.86 3.23 -0.02 -1.25 -4.86 135.00 131.71 1mxh n PRO 175 Ca 0.26 0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 1mxh n PRO 175 Cb 0.38 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 1mxh n PRO 175 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1mxh s LEU 176 N 5.75 4.38 -0.13 2.45 2.96 -1.26 -4.87 118.68 127.95 1mxh s LEU 176 Ca 1.17 2.53 -0.36 0.00 -0.22 0.00 0.00 54.13 57.24 1mxh s LEU 176 Cb -1.43 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 41.57 1mxh s LEU 176 CO 0.66 -0.94 1.78 -2.65 -1.32 0.00 0.00 176.35 173.88 1mxh n PRO 177 N 6.21 1.76 -0.01 0.98 -0.02 -1.26 -1.90 135.00 140.76 1mxh n PRO 177 Ca 0.17 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1mxh n PRO 177 Cb 0.41 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1mxh n PRO 177 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mxh n GLY 178 N 4.15 0.33 1.56 -1.23 0.00 -1.26 -4.96 105.19 103.78 1mxh n GLY 178 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 1mxh n GLY 178 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mxh n PHE 179 N -2.00 1.82 -0.28 1.61 3.01 -0.80 0.13 117.46 120.95 1mxh n PHE 179 Ca 0.00 -1.99 0.01 0.00 1.01 0.00 0.00 57.45 56.47 1mxh n PHE 179 Cb 0.00 -0.56 0.08 0.00 -0.01 0.00 0.00 39.48 38.99 1mxh n PHE 179 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mxh h VAL 181 N -0.03 0.52 -0.61 0.00 2.07 -1.89 -0.91 116.25 115.42 1mxh h VAL 181 Ca 0.36 -0.38 0.12 0.00 0.82 0.00 0.00 66.70 67.62 1mxh h VAL 181 Cb 0.58 0.69 -0.12 0.00 -1.52 0.00 0.00 31.29 30.93 1mxh h VAL 181 CO -0.82 0.06 -0.17 0.22 0.02 0.00 0.00 177.57 176.89 1mxh h TYR 182 N -0.83 -0.37 -0.99 1.57 3.20 -1.74 0.14 116.97 117.95 1mxh h TYR 182 Ca -0.06 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1mxh h TYR 182 Cb 0.55 0.26 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 1mxh h TYR 182 CO 0.00 -0.27 0.65 1.15 -1.64 0.00 0.00 178.16 178.05 1mxh h THR 183 N -0.02 1.15 -0.60 1.81 2.02 -0.77 -0.86 112.91 115.64 1mxh h THR 183 Ca 0.29 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 1mxh h THR 183 Cb 0.46 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1mxh h THR 183 CO -0.63 0.23 0.06 0.24 0.37 0.00 0.00 175.52 175.78 1mxh h MET 184 N 1.24 1.02 0.33 6.66 2.86 0.42 -1.72 114.93 125.74 1mxh h MET 184 Ca 0.40 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1mxh h MET 184 Cb 0.04 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1mxh h MET 184 CO -0.14 0.98 -0.16 0.00 1.06 0.00 0.00 176.91 178.65 1mxh h ALA 185 N 1.00 -0.45 -0.85 6.32 0.00 -0.47 -0.68 119.26 124.14 1mxh h ALA 185 Ca 0.18 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1mxh h ALA 185 Cb 0.48 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1mxh h ALA 185 CO 0.02 -0.69 0.50 0.87 0.00 0.00 0.00 179.25 179.95 1mxh h LYS 186 N -0.57 0.83 -0.96 0.00 1.79 -1.15 0.06 116.57 116.57 1mxh h LYS 186 Ca -0.05 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1mxh h LYS 186 Cb 0.42 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.83 1mxh h LYS 186 CO 0.08 0.55 0.63 0.45 -1.08 0.00 0.00 179.45 180.08 1mxh h HIS 187 N 0.85 1.19 -0.24 -1.35 3.86 -0.99 -0.89 115.15 117.59 1mxh h HIS 187 Ca 0.40 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.59 1mxh h HIS 187 Cb 0.33 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1mxh h HIS 187 CO -0.05 0.72 -0.06 0.00 0.86 0.00 0.00 177.93 179.40 1mxh h ALA 188 N 1.37 1.45 -0.39 2.45 0.00 0.51 -2.03 119.26 122.63 1mxh h ALA 188 Ca 0.37 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1mxh h ALA 188 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1mxh h ALA 188 CO -0.10 0.39 -0.17 1.25 0.00 0.00 0.00 179.25 180.62 1mxh h LEU 189 N 0.36 0.72 -0.52 0.00 5.85 0.24 -0.50 115.31 121.46 1mxh h LEU 189 Ca 0.08 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 1mxh h LEU 189 Cb 0.34 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1mxh h LEU 189 CO 0.02 0.89 -0.03 1.23 -0.34 0.00 0.00 178.44 180.21 1mxh h GLY 190 N 0.98 1.00 1.22 3.75 0.00 -0.64 -0.06 103.07 109.32 1mxh h GLY 190 Ca 0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 1mxh h GLY 190 CO 0.04 0.70 0.28 -1.33 0.00 0.00 0.00 176.54 176.23 1mxh h GLY 191 N 0.79 1.07 0.93 4.60 0.00 -1.11 -2.47 103.07 106.88 1mxh h GLY 191 Ca 0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1mxh h GLY 191 CO 0.03 0.52 0.13 -2.00 0.00 0.00 0.00 176.54 175.23 1mxh h LEU 192 N 0.98 0.42 -0.26 3.11 5.85 -0.69 -0.20 115.31 124.52 1mxh h LEU 192 Ca 0.23 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1mxh h LEU 192 Cb 0.18 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1mxh h LEU 192 CO -0.02 0.46 -0.13 0.74 -0.34 0.00 0.00 178.44 179.14 1mxh h THR 193 N 0.35 0.60 -0.23 1.05 2.02 -0.58 0.70 112.91 116.82 1mxh h THR 193 Ca 0.10 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.10 1mxh h THR 193 Cb 0.16 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1mxh h THR 193 CO -0.01 0.00 -0.58 0.03 0.37 0.00 0.00 175.52 175.33 1mxh h ARG 194 N -0.10 0.75 -0.10 6.66 3.08 -1.34 -1.05 114.38 122.29 1mxh h ARG 194 Ca 0.14 -0.50 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 1mxh h ARG 194 Cb 0.31 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1mxh h ARG 194 CO -0.32 1.12 0.02 0.00 -1.07 0.00 0.00 179.97 179.72 1mxh h ALA 195 N 0.77 0.13 -0.39 0.04 0.00 -0.81 -2.58 119.26 116.42 1mxh h ALA 195 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1mxh h ALA 195 Cb 1.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1mxh h ALA 195 CO 0.12 -0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.27 1mxh h ALA 196 N 0.78 0.51 -0.51 0.00 0.00 -0.91 -1.93 119.26 117.21 1mxh h ALA 196 Ca 0.03 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1mxh h ALA 196 Cb 0.29 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 1mxh h ALA 196 CO 0.00 0.17 -0.23 0.00 0.00 0.00 0.00 179.25 179.19 1mxh h ALA 197 N 0.96 0.12 0.07 0.00 0.00 -1.09 0.39 119.26 119.71 1mxh h ALA 197 Ca 0.13 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1mxh h ALA 197 Cb 0.27 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1mxh h ALA 197 CO -0.00 -0.57 -0.03 1.25 0.00 0.00 0.00 179.25 179.90 1mxh h LEU 198 N -0.12 -0.08 -1.15 0.00 5.85 -1.41 -2.54 115.31 115.87 1mxh h LEU 198 Ca 0.23 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1mxh h LEU 198 Cb 0.48 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1mxh h LEU 198 CO -0.58 0.31 0.52 -0.08 -0.34 0.00 0.00 178.44 178.27 1mxh h GLU 199 N -0.48 1.09 -0.05 1.25 4.81 -0.80 -2.21 114.58 118.20 1mxh h GLU 199 Ca -0.01 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1mxh h GLU 199 Cb 0.42 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1mxh h GLU 199 CO 0.02 0.74 0.00 1.28 -0.73 0.00 0.00 179.01 180.32 1mxh n LEU 200 N -4.39 1.27 -0.03 1.64 4.32 0.13 -4.28 117.00 115.66 1mxh n LEU 200 Ca 0.09 -0.46 -0.09 0.00 -0.02 0.00 0.00 56.01 55.53 1mxh n LEU 200 Cb 0.04 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 41.78 1mxh n LEU 200 CO 0.37 0.23 0.89 0.00 -1.22 0.00 0.00 177.39 177.66 1mxh h ALA 201 N 4.20 0.18 0.00 -1.18 0.00 -0.94 -1.61 119.26 119.91 1mxh h ALA 201 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1mxh h ALA 201 Cb 0.41 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1mxh h ALA 201 CO 0.00 -0.40 -0.01 -1.35 0.00 0.00 0.00 179.25 177.50 1mxh h PRO 202 N 0.11 0.00 -0.31 0.00 0.11 -1.77 0.88 132.00 131.03 1mxh h PRO 202 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1mxh h PRO 202 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1mxh h PRO 202 CO -0.09 0.01 0.00 0.54 -0.21 0.00 0.00 178.00 178.24 1mxh n ARG 203 N -3.45 1.92 -2.40 1.05 5.12 -0.66 -4.92 116.66 113.33 1mxh n ARG 203 Ca -0.03 -1.41 -0.21 0.00 -1.93 0.00 0.00 57.85 54.27 1mxh n ARG 203 Cb 0.09 -1.37 -0.01 0.00 -1.16 0.00 0.00 32.46 30.01 1mxh n ARG 203 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1mxh n HIS 204 N 0.64 -1.00 -3.87 -1.55 8.25 0.30 -4.99 115.22 113.01 1mxh n HIS 204 Ca 0.15 0.01 -0.36 0.00 -0.26 0.00 0.00 57.72 57.27 1mxh n HIS 204 Cb 0.37 -3.97 -0.13 0.00 1.12 0.00 0.00 29.99 27.38 1mxh n HIS 204 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1mxh s ILE 205 N -3.04 3.99 0.07 1.59 1.01 -0.90 -4.38 121.20 119.54 1mxh s ILE 205 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.15 1mxh s ILE 205 Cb -0.00 -2.84 -0.06 0.00 0.01 0.00 0.00 42.46 39.56 1mxh s ILE 205 CO 0.01 0.38 0.64 -0.13 0.00 0.00 0.00 174.94 175.84 1mxh s ARG 206 N 1.43 4.35 -0.20 2.79 0.52 -0.72 -4.23 118.95 122.89 1mxh s ARG 206 Ca 0.05 0.87 0.00 0.00 -0.52 0.00 0.00 55.73 56.13 1mxh s ARG 206 Cb -0.15 -3.28 0.05 0.00 0.52 0.00 0.00 34.95 32.09 1mxh s ARG 206 CO 0.01 0.51 -0.06 0.08 0.02 0.00 0.00 175.30 175.87 1mxh s VAL 207 N -0.76 1.37 0.24 3.52 1.01 -1.26 0.43 120.40 124.95 1mxh s VAL 207 Ca 0.32 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1mxh s VAL 207 Cb -0.20 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1mxh s VAL 207 CO 0.21 0.02 0.08 0.59 0.00 0.00 0.00 175.10 175.99 1mxh n ASN 208 N 4.76 1.21 -3.71 3.32 3.02 0.13 0.39 115.26 124.38 1mxh n ASN 208 Ca -0.12 -2.26 -0.11 0.00 -0.03 0.00 0.00 54.58 52.06 1mxh n ASN 208 Cb 0.46 0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 40.14 1mxh n ASN 208 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mxh s ALA 209 N -2.63 -0.79 -0.12 5.41 0.00 -0.72 -0.73 121.76 122.17 1mxh s ALA 209 Ca 0.11 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.12 1mxh s ALA 209 Cb 0.01 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1mxh s ALA 209 CO 0.08 -0.49 -0.22 0.08 0.00 0.00 0.00 175.76 175.21 1mxh s VAL 210 N -2.97 2.02 -0.55 0.00 1.01 -0.16 0.19 120.40 119.95 1mxh s VAL 210 Ca -0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1mxh s VAL 210 Cb 0.00 -1.78 0.14 0.00 0.00 0.00 0.00 36.38 34.75 1mxh s VAL 210 CO -0.06 0.55 0.34 0.00 0.00 0.00 0.00 175.10 175.92 1mxh s ALA 211 N 0.67 3.41 0.85 5.51 0.00 0.72 -0.66 121.76 132.26 1mxh s ALA 211 Ca -0.11 -3.08 -0.11 0.00 0.00 0.00 0.00 51.96 48.66 1mxh s ALA 211 Cb -0.16 -2.48 0.11 0.00 0.00 0.00 0.00 23.12 20.59 1mxh s ALA 211 CO 0.02 -2.00 1.10 -2.14 0.00 0.00 0.00 175.76 172.73 1mxh s PRO 212 N 0.18 1.58 0.00 0.00 0.02 -1.26 -2.02 135.00 133.50 1mxh s PRO 212 Ca 0.15 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.32 1mxh s PRO 212 Cb -0.22 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1mxh s PRO 212 CO -0.03 -2.11 0.00 0.41 -0.33 0.00 0.00 177.00 174.94 1mxh n GLY 213 N -0.78 -0.07 3.21 0.52 0.00 -1.11 -1.00 105.19 105.97 1mxh n GLY 213 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1mxh n GLY 213 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mxh s LEU 214 N 0.00 4.75 0.00 0.99 2.96 -1.26 -4.84 118.68 121.28 1mxh s LEU 214 Ca 0.00 -1.52 0.00 0.00 -0.22 0.00 0.00 54.13 52.39 1mxh s LEU 214 Cb 0.00 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.82 1mxh s LEU 214 CO 0.00 -0.44 0.00 -0.24 -1.32 0.00 0.00 176.35 174.35 1mxh n SER 215 N 4.75 0.35 -4.71 3.68 2.88 -1.26 -0.20 113.62 119.11 1mxh n SER 215 Ca -0.09 0.00 -0.63 0.00 -1.33 0.00 0.00 58.87 56.82 1mxh n SER 215 Cb 0.43 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.80 1mxh n SER 215 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1mxh n LEU 216 N 0.00 1.54 -4.85 2.46 4.77 -1.22 -4.62 117.00 115.08 1mxh n LEU 216 Ca 0.00 1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 56.81 1mxh n LEU 216 Cb 0.00 -0.98 -0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1mxh n LEU 216 CO 0.00 -0.78 0.70 -0.76 -1.33 0.00 0.00 177.39 175.22 1mxh s LEU 217 N 2.88 3.38 0.18 2.23 1.43 -1.26 -4.98 118.68 122.54 1mxh s LEU 217 Ca 1.01 1.51 -0.32 0.00 -1.03 0.00 0.00 54.13 55.30 1mxh s LEU 217 Cb -1.32 -4.49 -0.12 0.00 0.03 0.00 0.00 46.19 40.29 1mxh s LEU 217 CO 0.73 -0.82 1.74 -2.65 0.23 0.00 0.00 176.35 175.58 1mxh n PRO 218 N -2.31 2.72 0.21 1.29 -0.02 -1.26 -4.85 135.00 130.77 1mxh n PRO 218 Ca 0.06 0.98 0.18 0.00 -2.02 0.00 0.00 63.50 62.71 1mxh n PRO 218 Cb 0.54 -2.83 0.83 0.00 -0.02 0.00 0.00 33.50 32.02 1mxh n PRO 218 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1mxh h PRO 219 N 7.13 0.00 0.00 0.52 0.13 -2.04 -0.95 132.00 136.79 1mxh h PRO 219 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1mxh h PRO 219 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1mxh h PRO 219 CO 0.95 0.00 -0.40 0.00 -0.23 0.00 0.00 178.00 178.31 1mxh n ALA 220 N -2.21 2.86 -2.14 -0.56 0.00 -1.26 -4.89 120.51 112.31 1mxh n ALA 220 Ca 0.02 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1mxh n ALA 220 Cb 0.41 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1mxh n ALA 220 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1mxh s MET 221 N -3.10 4.31 0.38 0.00 0.00 -0.36 -4.97 119.30 115.56 1mxh s MET 221 Ca 0.09 2.11 -0.28 0.00 0.00 0.00 0.00 55.69 57.61 1mxh s MET 221 Cb 0.15 -3.24 -0.11 0.00 0.00 0.00 0.00 34.83 31.63 1mxh s MET 221 CO 0.67 -0.46 1.48 -2.14 0.00 0.00 0.00 175.02 174.56 1mxh s PRO 222 N 1.14 4.07 0.33 4.11 0.02 -1.26 -4.74 135.00 138.66 1mxh s PRO 222 Ca 0.65 2.55 0.09 0.00 0.02 0.00 0.00 61.00 64.32 1mxh s PRO 222 Cb -0.38 -2.94 0.84 0.00 0.02 0.00 0.00 34.50 32.05 1mxh s PRO 222 CO 0.30 -0.56 1.78 1.96 -0.33 0.00 0.00 177.00 180.15 1mxh h GLN 223 N 2.94 0.64 -0.63 5.54 4.20 -1.98 0.19 115.11 126.00 1mxh h GLN 223 Ca -0.51 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.19 1mxh h GLN 223 Cb 1.24 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.84 1mxh h GLN 223 CO 0.64 0.42 0.39 0.93 -0.67 0.00 0.00 178.83 180.53 1mxh h GLU 224 N 0.66 0.73 -0.33 1.46 5.08 -1.99 0.19 114.58 120.38 1mxh h GLU 224 Ca 0.58 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.75 1mxh h GLU 224 Cb 1.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1mxh h GLU 224 CO -0.37 0.48 -0.40 1.15 -1.00 0.00 0.00 179.01 178.88 1mxh h THR 225 N 0.75 1.28 -0.56 1.13 2.02 -1.11 -2.41 112.91 114.01 1mxh h THR 225 Ca 0.26 -1.57 -0.07 0.00 0.77 0.00 0.00 66.41 65.80 1mxh h THR 225 Cb 0.03 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1mxh h THR 225 CO -0.11 0.52 0.07 1.56 0.37 0.00 0.00 175.52 177.93 1mxh h GLN 226 N 0.66 0.91 -0.05 6.66 4.20 -0.20 -2.54 115.11 124.76 1mxh h GLN 226 Ca 0.05 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 1mxh h GLN 226 Cb 0.96 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1mxh h GLN 226 CO 0.09 0.86 -0.46 1.49 -0.67 0.00 0.00 178.83 180.14 1mxh h GLU 227 N 0.86 0.12 0.00 1.46 4.57 -0.52 -0.84 114.58 120.23 1mxh h GLU 227 Ca 0.17 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 1mxh h GLU 227 Cb 0.40 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1mxh h GLU 227 CO 0.01 0.55 -0.41 0.93 -1.18 0.00 0.00 179.01 178.92 1mxh h GLU 228 N 0.10 0.00 0.00 1.92 5.08 -1.03 -2.36 114.58 118.29 1mxh h GLU 228 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mxh h GLU 228 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1mxh h GLU 228 CO 0.06 0.41 -0.02 1.88 -1.00 0.00 0.00 179.01 180.35 1mxh h TYR 229 N 0.00 0.01 -0.53 4.33 -1.99 -1.07 -3.35 116.97 114.36 1mxh h TYR 229 Ca -0.00 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.80 1mxh h TYR 229 Cb 0.75 -0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.42 1mxh h TYR 229 CO 0.00 0.88 0.17 0.00 -0.00 0.00 0.00 178.16 179.21 1mxh h ARG 230 N -0.86 0.32 0.00 4.88 3.08 -1.13 -2.01 114.38 118.67 1mxh h ARG 230 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1mxh h ARG 230 Cb 0.89 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1mxh h ARG 230 CO 0.00 0.21 0.16 0.00 -1.07 0.00 0.00 179.97 179.28 1mxh h ARG 231 N 0.33 0.00 0.00 0.04 3.08 -1.56 -1.33 114.38 114.94 1mxh h ARG 231 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1mxh h ARG 231 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1mxh h ARG 231 CO -0.29 0.00 -0.12 1.63 -1.07 0.00 0.00 179.97 180.12 1mxh n LYS 232 N -2.69 0.13 -2.54 0.04 5.02 -0.76 -4.77 118.16 112.58 1mxh n LYS 232 Ca -0.02 0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 55.93 1mxh n LYS 232 Cb 0.21 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 1mxh n LYS 232 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1mxh s VAL 233 N -3.05 4.36 0.22 -0.18 1.01 -0.51 -4.86 120.40 117.39 1mxh s VAL 233 Ca 0.12 1.57 -0.08 0.00 0.00 0.00 0.00 61.98 63.59 1mxh s VAL 233 Cb 0.16 -4.28 0.18 0.00 0.00 0.00 0.00 36.38 32.43 1mxh s VAL 233 CO 0.59 -0.43 1.73 -0.65 0.00 0.00 0.00 175.10 176.34 1mxh h PRO 234 N 8.49 0.39 -5.48 2.72 0.11 -1.84 -1.37 132.00 135.01 1mxh h PRO 234 Ca -0.23 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.22 1mxh h PRO 234 Cb 1.08 -0.09 -0.14 0.00 0.11 0.00 0.00 31.00 31.96 1mxh h PRO 234 CO 1.03 0.26 0.75 -1.17 -0.21 0.00 0.00 178.00 178.65 1mxh s LEU 235 N -10.44 4.37 0.00 2.35 2.96 -0.63 -4.34 118.68 112.95 1mxh s LEU 235 Ca -0.13 -1.25 0.00 0.00 -0.22 0.00 0.00 54.13 52.53 1mxh s LEU 235 Cb 0.18 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1mxh s LEU 235 CO 0.75 -1.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.00 1mxh n GLY 236 N 5.52 2.43 3.73 7.98 0.00 -1.26 -4.26 105.19 119.33 1mxh n GLY 236 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1mxh n GLY 236 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mxh n GLN 237 N -2.00 -3.93 -3.78 1.61 3.00 -0.51 -4.99 117.38 106.78 1mxh n GLN 237 Ca 0.00 0.56 -0.11 0.00 -0.01 0.00 0.00 57.00 57.44 1mxh n GLN 237 Cb 0.00 -4.92 -0.07 0.00 0.00 0.00 0.00 30.24 25.25 1mxh n GLN 237 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1mxh s SER 238 N -4.20 -0.08 0.49 1.08 0.15 -1.18 -4.15 113.70 105.81 1mxh s SER 238 Ca 0.09 -0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.34 1mxh s SER 238 Cb -0.03 0.35 -0.06 0.00 -1.71 0.00 0.00 66.02 64.57 1mxh s SER 238 CO 0.83 -0.62 0.90 -1.83 1.20 0.00 0.00 173.24 173.72 1mxh s GLU 239 N -2.72 3.78 0.12 5.44 1.03 -1.26 -4.82 118.70 120.26 1mxh s GLU 239 Ca -0.04 0.66 -0.31 0.00 0.03 0.00 0.00 54.97 55.32 1mxh s GLU 239 Cb -0.00 -2.24 -0.07 0.00 -0.80 0.00 0.00 34.13 31.02 1mxh s GLU 239 CO -0.04 -0.24 1.28 0.00 -1.33 0.00 0.00 175.26 174.93 1mxh s ALA 240 N -2.66 3.49 0.91 -0.84 0.00 0.72 -4.92 121.76 118.46 1mxh s ALA 240 Ca 0.54 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 1mxh s ALA 240 Cb -0.10 -3.48 0.14 0.00 0.00 0.00 0.00 23.12 19.68 1mxh s ALA 240 CO 0.37 -0.50 1.10 -1.54 0.00 0.00 0.00 175.76 175.19 1mxh s SER 241 N 0.84 3.41 0.19 0.00 1.04 -1.26 -3.39 113.70 114.54 1mxh s SER 241 Ca 0.60 1.34 -0.08 0.00 0.48 0.00 0.00 55.95 58.28 1mxh s SER 241 Cb -0.33 -2.01 0.10 0.00 0.10 0.00 0.00 66.02 63.87 1mxh s SER 241 CO 0.32 -2.66 1.67 0.00 0.98 0.00 0.00 173.24 173.55 1mxh h ALA 242 N -1.56 0.88 -0.90 5.32 0.00 -1.95 -2.79 119.26 118.26 1mxh h ALA 242 Ca -0.50 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 1mxh h ALA 242 Cb 1.30 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1mxh h ALA 242 CO 0.57 0.67 0.55 0.00 0.00 0.00 0.00 179.25 181.04 1mxh h ALA 243 N 1.04 1.28 -0.27 0.00 0.00 -1.92 0.20 119.26 119.59 1mxh h ALA 243 Ca 0.18 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1mxh h ALA 243 Cb 0.52 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1mxh h ALA 243 CO 0.02 0.63 -0.07 1.96 0.00 0.00 0.00 179.25 181.80 1mxh h GLN 244 N 1.24 0.44 -0.05 0.00 4.20 -1.86 0.14 115.11 119.21 1mxh h GLN 244 Ca 0.32 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 1mxh h GLN 244 Cb -0.07 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.66 1mxh h GLN 244 CO -0.06 0.52 -0.51 0.82 -0.67 0.00 0.00 178.83 178.92 1mxh h ILE 245 N 0.41 1.41 -0.59 2.54 1.08 -1.16 -3.03 117.51 118.17 1mxh h ILE 245 Ca 0.09 -1.93 0.11 0.00 -0.39 0.00 0.00 64.86 62.73 1mxh h ILE 245 Cb 0.38 2.42 -0.03 0.00 -3.07 0.00 0.00 36.82 36.51 1mxh h ILE 245 CO 0.02 0.57 0.40 0.00 -0.69 0.00 0.00 178.15 178.44 1mxh h ALA 246 N 0.39 2.08 -0.56 1.87 0.00 -0.07 -1.73 119.26 121.24 1mxh h ALA 246 Ca -0.05 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1mxh h ALA 246 Cb 1.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1mxh h ALA 246 CO 0.10 -0.22 0.32 -0.44 0.00 0.00 0.00 179.25 179.02 1mxh h ASP 247 N 0.35 0.50 -0.39 0.00 3.32 -0.62 0.50 116.42 120.08 1mxh h ASP 247 Ca 0.27 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.19 1mxh h ASP 247 Cb 0.61 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1mxh h ASP 247 CO -0.07 0.34 -0.32 0.00 -1.72 0.00 0.00 179.24 177.47 1mxh h ALA 248 N 1.27 0.57 -0.42 3.45 0.00 -1.34 -1.10 119.26 121.68 1mxh h ALA 248 Ca 0.23 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1mxh h ALA 248 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1mxh h ALA 248 CO -0.13 0.62 0.13 0.82 0.00 0.00 0.00 179.25 180.70 1mxh h ILE 249 N 0.72 1.22 -0.92 0.00 2.04 -1.19 -0.55 117.51 118.83 1mxh h ILE 249 Ca 0.07 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1mxh h ILE 249 Cb 0.91 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1mxh h ILE 249 CO 0.08 0.26 0.56 0.00 0.00 0.00 0.00 178.15 179.06 1mxh h ALA 250 N 0.98 1.18 -0.07 1.87 0.00 -0.79 -1.56 119.26 120.86 1mxh h ALA 250 Ca 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1mxh h ALA 250 Cb 0.27 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1mxh h ALA 250 CO -0.00 0.63 0.03 0.35 0.00 0.00 0.00 179.25 180.26 1mxh h PHE 251 N 1.27 0.10 0.00 0.00 3.57 -0.78 0.24 116.94 121.34 1mxh h PHE 251 Ca 0.33 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1mxh h PHE 251 Cb -0.06 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1mxh h PHE 251 CO 0.00 0.17 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.12 1mxh h LEU 252 N -0.01 0.00 0.03 0.59 3.38 -0.67 -2.29 115.31 116.33 1mxh h LEU 252 Ca 0.02 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 1mxh h LEU 252 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1mxh h LEU 252 CO -0.00 0.06 -1.40 -0.37 0.09 0.00 0.00 178.44 176.82 1mxh h VAL 253 N 0.00 1.25 -3.45 1.22 -1.51 -0.99 -3.44 116.25 109.33 1mxh h VAL 253 Ca -0.00 -3.00 -0.46 0.00 -1.23 0.00 0.00 66.70 62.01 1mxh h VAL 253 Cb 0.13 2.66 0.21 0.00 -2.13 0.00 0.00 31.29 32.16 1mxh h VAL 253 CO 0.01 0.76 0.02 -1.54 -1.23 0.00 0.00 177.57 175.58 1mxh n SER 254 N -3.26 -1.28 0.21 4.19 3.41 0.05 -4.88 113.62 112.06 1mxh n SER 254 Ca -0.10 -0.03 0.15 0.00 -0.26 0.00 0.00 58.87 58.63 1mxh n SER 254 Cb 1.01 -1.31 0.67 0.00 -0.26 0.00 0.00 64.21 64.32 1mxh n SER 254 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1mxh h LYS 255 N -2.51 0.00 0.00 4.33 1.63 -1.90 -2.66 116.57 115.46 1mxh h LYS 255 Ca -0.57 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 1mxh h LYS 255 Cb 1.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1mxh h LYS 255 CO 0.47 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 176.22 1mxh n ASP 256 N -2.66 0.00 -0.85 4.20 9.92 -1.26 -2.40 116.55 123.50 1mxh n ASP 256 Ca 0.00 -0.90 0.04 0.00 -0.53 0.00 0.00 54.79 53.40 1mxh n ASP 256 Cb 0.21 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.75 1mxh n ASP 256 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mxh n ALA 257 N -0.82 2.42 0.31 2.24 0.00 -1.00 -4.88 120.51 118.77 1mxh n ALA 257 Ca 0.10 -2.08 0.19 0.00 0.00 0.00 0.00 53.44 51.66 1mxh n ALA 257 Cb 0.05 -0.56 1.04 0.00 0.00 0.00 0.00 19.45 19.98 1mxh n ALA 257 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1mxh h GLY 258 N 0.54 0.00 -1.56 0.00 0.00 -1.62 -0.85 103.07 99.58 1mxh h GLY 258 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1mxh h GLY 258 CO 0.04 0.00 0.00 2.98 0.00 0.00 0.00 176.54 179.56 1mxh n TYR 259 N -2.89 0.06 -3.41 5.60 9.36 -1.26 -4.93 117.16 119.68 1mxh n TYR 259 Ca -0.03 -0.04 -0.39 0.00 3.32 0.00 0.00 57.90 60.77 1mxh n TYR 259 Cb 0.12 -0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.74 1mxh n TYR 259 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1mxh s ILE 260 N -1.52 5.20 -0.22 2.97 1.01 -0.33 -5.05 121.20 123.26 1mxh s ILE 260 Ca 0.23 0.57 -0.14 0.00 0.00 0.00 0.00 60.65 61.32 1mxh s ILE 260 Cb 0.16 -3.69 0.07 0.00 0.01 0.00 0.00 42.46 39.01 1mxh s ILE 260 CO 0.24 0.20 0.55 0.28 0.00 0.00 0.00 174.94 176.21 1mxh s THR 261 N 1.76 -0.01 0.00 2.92 -1.32 -1.26 -4.71 115.64 113.02 1mxh s THR 261 Ca 0.15 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1mxh s THR 261 Cb -0.15 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 1mxh s THR 261 CO 0.09 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 1mxh n GLY 262 N 4.00 0.71 3.59 6.08 0.00 0.16 -4.92 105.19 114.80 1mxh n GLY 262 Ca -0.20 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 1mxh n GLY 262 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mxh s THR 263 N -2.00 3.65 -0.23 2.61 -4.23 -1.26 -4.77 115.64 109.41 1mxh s THR 263 Ca 0.00 -0.65 -0.08 0.00 -1.18 0.00 0.00 61.69 59.78 1mxh s THR 263 Cb 0.00 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1mxh s THR 263 CO 0.00 0.48 0.08 -0.89 -0.54 0.00 0.00 174.62 173.76 1mxh s THR 264 N -0.91 4.64 -0.41 3.99 2.01 -1.26 -1.76 115.64 121.94 1mxh s THR 264 Ca 0.15 -0.07 -0.16 0.00 0.31 0.00 0.00 61.69 61.92 1mxh s THR 264 Cb -0.11 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.27 1mxh s THR 264 CO 0.05 0.37 0.35 -0.22 -0.69 0.00 0.00 174.62 174.48 1mxh s LEU 265 N 1.15 4.97 0.13 4.42 2.96 0.13 -4.92 118.68 127.53 1mxh s LEU 265 Ca 0.05 -0.77 -0.30 0.00 -0.22 0.00 0.00 54.13 52.88 1mxh s LEU 265 Cb -0.14 -2.26 -0.06 0.00 0.50 0.00 0.00 46.19 44.23 1mxh s LEU 265 CO 0.04 -0.49 1.01 -0.75 -1.32 0.00 0.00 176.35 174.83 1mxh s LYS 266 N 1.87 4.67 -0.46 1.98 2.20 -1.26 -0.20 119.74 128.54 1mxh s LYS 266 Ca 0.08 1.54 0.05 0.00 -0.36 0.00 0.00 55.97 57.28 1mxh s LYS 266 Cb -0.18 -3.35 0.20 0.00 -1.51 0.00 0.00 37.83 32.99 1mxh s LYS 266 CO 0.11 0.17 0.44 0.28 -0.36 0.00 0.00 175.35 176.00 1mxh n VAL 267 N 2.67 -0.47 -0.35 4.02 0.31 -0.86 -4.90 118.33 118.75 1mxh n VAL 267 Ca 0.02 -3.90 0.00 0.00 -0.01 0.00 0.00 64.34 60.45 1mxh n VAL 267 Cb 0.48 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1mxh n VAL 267 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1mxh n ASP 268 N 2.16 1.30 -2.62 4.52 5.75 -1.26 -2.74 116.55 123.66 1mxh n ASP 268 Ca 0.26 -1.64 -0.16 0.00 -0.01 0.00 0.00 54.79 53.23 1mxh n ASP 268 Cb 0.47 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1mxh n ASP 268 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mxh n GLY 269 N -0.32 -0.50 2.52 6.12 0.00 -1.26 -1.03 105.19 110.72 1mxh n GLY 269 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1mxh n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mxh n GLY 270 N -0.97 0.68 0.21 -0.02 0.00 -1.26 -1.60 105.19 102.23 1mxh n GLY 270 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 1mxh n GLY 270 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mxh h LEU 271 N 0.00 -0.26 0.00 0.99 5.85 -1.41 -0.79 115.31 119.69 1mxh h LEU 271 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1mxh h LEU 271 Cb 0.03 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1mxh h LEU 271 CO 0.00 -0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.01 1mxh n ILE 272 N -5.26 0.88 0.06 4.05 3.06 -1.26 -2.53 119.36 118.36 1mxh n ILE 272 Ca 0.06 0.22 0.04 0.00 -2.50 0.00 0.00 62.75 60.57 1mxh n ILE 272 Cb 0.29 -1.09 -0.05 0.00 0.54 0.00 0.00 39.64 39.33 1mxh n ILE 272 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1mxh h LEU 273 N 0.00 0.00 -9.65 9.51 4.07 -1.55 -3.48 115.31 114.22 1mxh h LEU 273 Ca 0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.44 1mxh h LEU 273 Cb 0.08 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.83 1mxh h LEU 273 CO 0.00 0.40 0.53 0.00 -1.08 0.00 0.00 178.44 178.29 1mxh s ALA 274 N -3.06 3.41 0.11 1.53 0.00 -1.05 -5.05 121.76 117.65 1mxh s ALA 274 Ca -0.02 0.89 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 1mxh s ALA 274 Cb 0.09 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 1mxh s ALA 274 CO 0.80 -0.31 0.38 1.03 0.00 0.00 0.00 175.76 177.66 1mxh s ARG 275 N -0.21 3.67 0.00 0.00 0.52 -1.26 -5.10 118.95 116.57 1mxh s ARG 275 Ca 0.52 0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.77 1mxh s ARG 275 Cb -0.31 -2.92 0.12 0.00 0.52 0.00 0.00 34.95 32.36 1mxh s ARG 275 CO 0.36 0.52 0.61 0.00 0.02 0.00 0.00 175.30 176.80