#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9c n SER 2 N 0.00 0.00 -4.80 3.54 2.88 -1.26 -5.13 113.62 108.85 1a9c n SER 2 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1a9c n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1a9c n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a9c s LEU 3 N -1.39 4.42 0.79 2.46 1.43 -1.26 -4.92 118.68 120.22 1a9c s LEU 3 Ca 0.00 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.48 1a9c s LEU 3 Cb 0.00 -3.51 0.07 0.00 0.03 0.00 0.00 46.19 42.78 1a9c s LEU 3 CO 0.00 0.08 1.09 -0.94 0.23 0.00 0.00 176.35 176.81 1a9c s SER 4 N -1.49 4.50 0.23 2.29 1.04 -1.26 -4.80 113.70 114.20 1a9c s SER 4 Ca 0.41 1.40 -0.07 0.00 0.48 0.00 0.00 55.95 58.17 1a9c s SER 4 Cb -0.19 -2.15 0.32 0.00 0.10 0.00 0.00 66.02 64.11 1a9c s SER 4 CO 0.22 -1.98 1.82 0.11 0.98 0.00 0.00 173.24 174.39 1a9c h LYS 5 N -1.09 0.76 0.22 4.02 1.57 -1.99 -0.88 116.57 119.18 1a9c h LYS 5 Ca -0.47 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 1a9c h LYS 5 Cb 1.26 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1a9c h LYS 5 CO 0.58 0.51 -0.13 0.93 -0.57 0.00 0.00 179.45 180.77 1a9c h GLU 6 N 0.79 -0.32 -0.25 3.15 3.07 -1.97 0.31 114.58 119.35 1a9c h GLU 6 Ca 0.35 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.29 1a9c h GLU 6 Cb 0.25 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.17 1a9c h GLU 6 CO -0.21 -0.21 -0.13 0.00 -1.40 0.00 0.00 179.01 177.06 1a9c h ALA 7 N 0.44 0.07 -0.11 3.43 0.00 -1.76 0.78 119.26 122.12 1a9c h ALA 7 Ca -0.02 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1a9c h ALA 7 Cb 0.27 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1a9c h ALA 7 CO 0.03 -0.54 -0.08 0.00 0.00 0.00 0.00 179.25 178.65 1a9c h ALA 8 N 1.10 0.00 0.05 0.00 0.00 -0.98 -0.42 119.26 119.01 1a9c h ALA 8 Ca 0.14 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1a9c h ALA 8 Cb 0.31 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1a9c h ALA 8 CO -0.32 -0.54 -0.31 -0.07 0.00 0.00 0.00 179.25 178.01 1a9c h LEU 9 N -0.10 -0.91 -0.29 0.00 3.38 -0.16 -0.56 115.31 116.68 1a9c h LEU 9 Ca 0.07 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1a9c h LEU 9 Cb 0.20 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1a9c h LEU 9 CO -0.17 -0.38 0.09 0.58 0.09 0.00 0.00 178.44 178.65 1a9c h VAL 10 N -0.48 0.91 -0.26 1.22 2.07 -0.71 -0.78 116.25 118.21 1a9c h VAL 10 Ca 0.05 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1a9c h VAL 10 Cb 0.55 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1a9c h VAL 10 CO -0.23 0.04 -0.03 -0.74 0.02 0.00 0.00 177.57 176.63 1a9c h HIS 11 N 0.22 -0.07 -0.34 1.57 -0.00 -0.71 -0.73 115.15 115.08 1a9c h HIS 11 Ca 0.13 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.53 1a9c h HIS 11 Cb 0.11 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 1a9c h HIS 11 CO -0.14 -0.08 0.22 0.93 -0.00 0.00 0.00 177.93 178.86 1a9c h GLU 12 N 0.04 0.43 -0.21 5.26 5.08 -0.74 -1.24 114.58 123.19 1a9c h GLU 12 Ca 0.13 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1a9c h GLU 12 Cb 0.18 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 1a9c h GLU 12 CO -0.24 0.28 -0.19 0.00 -1.00 0.00 0.00 179.01 177.86 1a9c h ALA 13 N 1.14 -0.07 -0.18 3.43 0.00 -0.55 0.32 119.26 123.34 1a9c h ALA 13 Ca 0.13 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1a9c h ALA 13 Cb -0.03 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1a9c h ALA 13 CO -0.04 -0.62 0.06 -0.07 0.00 0.00 0.00 179.25 178.57 1a9c h LEU 14 N -0.20 0.06 -0.63 0.00 3.38 -0.92 -1.49 115.31 115.50 1a9c h LEU 14 Ca 0.13 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1a9c h LEU 14 Cb 0.40 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1a9c h LEU 14 CO -0.33 0.06 0.37 0.58 0.09 0.00 0.00 178.44 179.21 1a9c h VAL 15 N 0.14 1.03 -0.36 1.22 2.07 -0.38 0.12 116.25 120.10 1a9c h VAL 15 Ca 0.08 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1a9c h VAL 15 Cb 0.05 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1a9c h VAL 15 CO -0.09 0.13 0.11 0.00 0.02 0.00 0.00 177.57 177.74 1a9c h ALA 16 N 1.30 0.41 0.00 1.67 0.00 0.07 -1.25 119.26 121.46 1a9c h ALA 16 Ca 0.26 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1a9c h ALA 16 Cb 0.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1a9c h ALA 16 CO -0.13 -0.29 0.00 0.54 0.00 0.00 0.00 179.25 179.37 1a9c n ARG 17 N -5.04 0.03 -1.67 0.00 3.00 -0.61 -4.90 116.66 107.47 1a9c n ARG 17 Ca 0.01 0.08 -0.04 0.00 -0.01 0.00 0.00 57.85 57.90 1a9c n ARG 17 Cb 0.14 -1.53 -0.01 0.00 0.00 0.00 0.00 32.46 31.06 1a9c n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a9c n GLY 18 N 1.12 0.40 1.12 -0.13 0.00 0.22 -4.94 105.19 102.98 1a9c n GLY 18 Ca 0.06 -0.81 0.10 0.00 0.00 0.00 0.00 46.02 45.37 1a9c n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a9c n LEU 19 N -0.46 3.54 -4.81 0.99 4.77 0.03 -4.99 117.00 116.06 1a9c n LEU 19 Ca -0.04 -1.84 -0.33 0.00 -0.03 0.00 0.00 56.01 53.77 1a9c n LEU 19 Cb 0.36 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1a9c n LEU 19 CO 0.05 0.85 0.71 -1.61 -1.33 0.00 0.00 177.39 176.06 1a9c s GLU 20 N -1.11 3.48 0.22 3.23 0.41 -1.23 -4.77 118.70 118.93 1a9c s GLU 20 Ca 0.40 1.13 -0.30 0.00 -0.41 0.00 0.00 54.97 55.79 1a9c s GLU 20 Cb 0.21 -2.06 -0.09 0.00 -1.78 0.00 0.00 34.13 30.41 1a9c s GLU 20 CO 0.28 -0.67 1.33 0.99 -0.49 0.00 0.00 175.26 176.70 1a9c s THR 21 N -2.51 3.09 -0.54 3.63 2.01 -1.26 -4.86 115.64 115.20 1a9c s THR 21 Ca 0.62 0.91 -0.29 0.00 0.31 0.00 0.00 61.69 63.25 1a9c s THR 21 Cb -0.14 -3.58 -0.10 0.00 0.01 0.00 0.00 72.50 68.68 1a9c s THR 21 CO 0.36 0.14 2.42 -2.65 -0.69 0.00 0.00 174.62 174.20 1a9c n PRO 22 N 2.46 0.93 -4.58 4.92 -0.02 -1.26 -4.93 135.00 132.53 1a9c n PRO 22 Ca 0.06 0.09 -0.23 0.00 -2.02 0.00 0.00 63.50 61.40 1a9c n PRO 22 Cb 0.42 -2.89 -0.14 0.00 -0.02 0.00 0.00 33.50 30.87 1a9c n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1a9c s LEU 23 N 10.47 2.13 -0.10 2.45 1.43 -1.26 -5.13 118.68 128.67 1a9c s LEU 23 Ca 1.08 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1a9c s LEU 23 Cb -0.51 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 1a9c s LEU 23 CO 0.35 0.13 0.04 -0.13 0.23 0.00 0.00 176.35 176.97 1a9c s ARG 24 N -0.95 3.13 0.59 1.70 0.52 -1.26 -5.08 118.95 117.61 1a9c s ARG 24 Ca 0.05 -0.34 -0.19 0.00 -0.52 0.00 0.00 55.73 54.73 1a9c s ARG 24 Cb -0.08 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 1a9c s ARG 24 CO 0.01 0.70 1.09 -0.35 0.02 0.00 0.00 175.30 176.78 1a9c n PRO 25 N 2.16 1.09 -1.53 3.54 -0.04 -1.26 -4.71 135.00 134.26 1a9c n PRO 25 Ca -0.19 0.42 -0.27 0.00 -0.04 0.00 0.00 63.50 63.42 1a9c n PRO 25 Cb 0.54 -2.29 -0.13 0.00 -0.04 0.00 0.00 33.50 31.58 1a9c n PRO 25 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1a9c n PRO 26 N -1.11 0.36 -0.23 0.54 -0.04 -1.26 -4.76 135.00 128.50 1a9c n PRO 26 Ca 0.13 -0.24 0.15 0.00 -0.04 0.00 0.00 63.50 63.51 1a9c n PRO 26 Cb 0.46 -2.35 0.29 0.00 -0.04 0.00 0.00 33.50 31.86 1a9c n PRO 26 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a9c n VAL 27 N 7.36 -0.29 -3.68 0.52 0.31 -1.26 -4.50 118.33 116.79 1a9c n VAL 27 Ca 0.56 1.46 -0.13 0.00 -0.01 0.00 0.00 64.34 66.22 1a9c n VAL 27 Cb 0.28 -2.23 -0.07 0.00 -0.91 0.00 0.00 33.84 30.91 1a9c n VAL 27 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1a9c s HIS 28 N -5.36 -0.26 -1.13 3.52 3.76 -1.26 -5.07 115.29 109.49 1a9c s HIS 28 Ca -0.08 0.26 -0.24 0.00 -0.15 0.00 0.00 55.06 54.85 1a9c s HIS 28 Cb 0.21 0.19 -0.11 0.00 1.11 0.00 0.00 32.58 33.99 1a9c s HIS 28 CO 0.54 -0.53 1.98 -1.21 -0.85 0.00 0.00 174.74 174.67 1a9c s GLU 29 N -2.19 2.21 -0.13 1.40 2.02 -1.26 -4.91 118.70 115.83 1a9c s GLU 29 Ca -0.07 -0.90 -0.08 0.00 0.02 0.00 0.00 54.97 53.94 1a9c s GLU 29 Cb -0.02 -5.16 -0.04 0.00 0.10 0.00 0.00 34.13 29.01 1a9c s GLU 29 CO -0.00 -4.25 0.15 -1.64 0.02 0.00 0.00 175.26 169.53 1a9c s MET 30 N 6.98 3.58 0.48 1.61 -1.94 -1.26 -5.08 119.30 123.66 1a9c s MET 30 Ca 0.72 -0.13 -0.21 0.00 -1.71 0.00 0.00 55.69 54.36 1a9c s MET 30 Cb -0.02 -3.23 -0.08 0.00 2.01 0.00 0.00 34.83 33.50 1a9c s MET 30 CO 0.13 0.70 1.06 -0.51 -0.01 0.00 0.00 175.02 176.39 1a9c s ASP 31 N -0.80 6.32 0.53 3.03 1.11 -1.26 -4.86 116.67 120.74 1a9c s ASP 31 Ca 0.14 2.01 0.21 0.00 0.18 0.00 0.00 52.55 55.09 1a9c s ASP 31 Cb -0.12 -2.57 1.38 0.00 1.07 0.00 0.00 42.92 42.68 1a9c s ASP 31 CO 0.03 -0.80 2.11 0.78 1.18 0.00 0.00 175.17 178.48 1a9c h ASN 32 N 1.71 0.00 -0.40 0.27 4.21 -1.98 0.35 115.58 119.73 1a9c h ASN 32 Ca -0.49 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.02 1a9c h ASN 32 Cb 1.23 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.41 1a9c h ASN 32 CO 0.59 0.00 0.26 -0.33 -1.29 0.00 0.00 177.43 176.67 1a9c h GLU 33 N 0.00 0.52 -0.25 0.81 5.08 -1.99 0.31 114.58 119.07 1a9c h GLU 33 Ca 0.07 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 1a9c h GLU 33 Cb 0.30 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1a9c h GLU 33 CO -0.00 0.35 -0.59 1.79 -1.00 0.00 0.00 179.01 179.56 1a9c h THR 34 N 0.54 1.28 -0.40 1.13 1.35 -1.35 -1.74 112.91 113.72 1a9c h THR 34 Ca 0.15 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 1a9c h THR 34 Cb -0.06 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 1a9c h THR 34 CO -0.03 0.58 0.26 0.03 -0.25 0.00 0.00 175.52 176.10 1a9c h ARG 35 N 0.61 0.54 -0.09 4.72 3.08 -0.70 -0.96 114.38 121.57 1a9c h ARG 35 Ca 0.00 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1a9c h ARG 35 Cb 1.19 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1a9c h ARG 35 CO 0.13 0.38 0.01 0.87 -1.07 0.00 0.00 179.97 180.28 1a9c h LYS 36 N 0.54 0.05 -0.63 0.04 1.57 -0.28 0.53 116.57 118.38 1a9c h LYS 36 Ca 0.15 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1a9c h LYS 36 Cb -0.03 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1a9c h LYS 36 CO -0.03 0.03 0.42 0.66 -0.57 0.00 0.00 179.45 179.96 1a9c h SER 37 N 0.05 0.65 -0.21 0.86 4.64 -0.96 0.25 113.55 118.83 1a9c h SER 37 Ca 0.04 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 1a9c h SER 37 Cb 0.04 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1a9c h SER 37 CO -0.06 0.45 -0.22 -0.07 -0.87 0.00 0.00 176.83 176.05 1a9c h LEU 38 N 0.75 0.55 -0.61 5.97 3.38 -0.53 -0.67 115.31 124.16 1a9c h LEU 38 Ca 0.25 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1a9c h LEU 38 Cb 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1a9c h LEU 38 CO -0.07 0.92 0.34 0.40 0.09 0.00 0.00 178.44 180.12 1a9c h ILE 39 N 0.19 1.19 -0.74 1.22 2.04 -0.14 -1.49 117.51 119.78 1a9c h ILE 39 Ca 0.03 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1a9c h ILE 39 Cb 0.77 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1a9c h ILE 39 CO 0.05 0.21 0.42 0.00 0.00 0.00 0.00 178.15 178.83 1a9c h ALA 40 N 1.16 1.36 -0.18 1.87 0.00 -0.45 0.13 119.26 123.14 1a9c h ALA 40 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1a9c h ALA 40 Cb 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1a9c h ALA 40 CO -0.04 0.54 0.10 0.78 0.00 0.00 0.00 179.25 180.63 1a9c h GLY 41 N 1.06 0.27 1.03 0.00 0.00 -0.35 -0.36 103.07 104.71 1a9c h GLY 41 Ca 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1a9c h GLY 41 CO -0.05 0.12 0.38 0.45 0.00 0.00 0.00 176.54 177.44 1a9c h HIS 42 N 0.18 1.13 -0.83 5.60 -0.00 -0.72 -1.78 115.15 118.74 1a9c h HIS 42 Ca 0.06 -0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1a9c h HIS 42 Cb 0.08 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.10 1a9c h HIS 42 CO -0.04 0.83 0.39 0.52 -0.00 0.00 0.00 177.93 179.63 1a9c h MET 43 N 1.11 1.20 -0.38 2.45 2.86 -0.71 -0.02 114.93 121.45 1a9c h MET 43 Ca 0.27 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1a9c h MET 43 Cb 0.12 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 31.52 1a9c h MET 43 CO -0.03 0.93 0.08 1.15 1.06 0.00 0.00 176.91 180.10 1a9c h THR 44 N 1.18 0.82 0.03 2.22 2.02 -0.55 0.17 112.91 118.80 1a9c h THR 44 Ca 0.28 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.41 1a9c h THR 44 Cb 0.13 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1a9c h THR 44 CO -0.03 0.04 -0.11 -0.33 0.37 0.00 0.00 175.52 175.46 1a9c h GLU 45 N 0.21 -0.20 -0.41 6.66 4.39 -0.68 -0.74 114.58 123.81 1a9c h GLU 45 Ca 0.18 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.93 1a9c h GLU 45 Cb 0.21 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1a9c h GLU 45 CO -0.23 -0.13 0.18 0.82 -1.16 0.00 0.00 179.01 178.49 1a9c h ILE 46 N -0.20 0.93 -0.85 3.13 2.04 -0.34 0.59 117.51 122.80 1a9c h ILE 46 Ca 0.03 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1a9c h ILE 46 Cb 0.23 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1a9c h ILE 46 CO -0.08 0.07 0.52 0.24 0.00 0.00 0.00 178.15 178.89 1a9c h MET 47 N 0.37 1.15 -0.52 2.37 2.86 -0.47 -1.19 114.93 119.49 1a9c h MET 47 Ca 0.18 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 1a9c h MET 47 Cb 0.12 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1a9c h MET 47 CO -0.15 0.80 -0.12 1.96 1.06 0.00 0.00 176.91 180.46 1a9c h GLN 48 N 1.17 0.99 0.00 1.72 4.20 -0.25 -1.93 115.11 121.01 1a9c h GLN 48 Ca 0.31 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1a9c h GLN 48 Cb -0.06 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1a9c h GLN 48 CO -0.06 1.04 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.98 1a9c h LEU 49 N 0.88 0.00 -0.66 1.46 3.38 0.11 -0.00 115.31 120.48 1a9c h LEU 49 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1a9c h LEU 49 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1a9c h LEU 49 CO 0.05 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.85 1a9c n LEU 50 N -3.93 0.99 -1.21 1.67 4.77 -0.55 -4.91 117.00 113.83 1a9c n LEU 50 Ca -0.02 -0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 55.42 1a9c n LEU 50 Cb 0.18 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1a9c n LEU 50 CO 0.31 0.20 -0.14 0.59 -1.33 0.00 0.00 177.39 177.02 1a9c n ASN 51 N -0.13 -4.33 -4.75 -1.43 3.02 -0.01 -4.99 115.26 102.63 1a9c n ASN 51 Ca 0.16 0.17 -0.40 0.00 -0.03 0.00 0.00 54.58 54.47 1a9c n ASN 51 Cb 0.23 -3.22 -0.05 0.00 -0.61 0.00 0.00 39.78 36.12 1a9c n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a9c s LEU 52 N -3.30 4.57 -1.07 3.41 1.43 -0.79 -4.94 118.68 117.98 1a9c s LEU 52 Ca 0.00 2.01 -0.21 0.00 -1.03 0.00 0.00 54.13 54.90 1a9c s LEU 52 Cb 0.00 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.68 1a9c s LEU 52 CO 0.00 -0.02 1.48 -0.62 0.23 0.00 0.00 176.35 177.42 1a9c s ASP 53 N -0.68 6.60 0.00 2.29 -1.08 -1.26 -4.61 116.67 117.92 1a9c s ASP 53 Ca 0.44 -1.75 0.04 0.00 -0.52 0.00 0.00 52.55 50.76 1a9c s ASP 53 Cb -0.27 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 38.84 1a9c s ASP 53 CO 0.34 -1.38 0.85 0.18 0.52 0.00 0.00 175.17 175.68 1a9c n LEU 54 N 8.48 0.00 0.00 -1.34 4.77 -1.26 -1.22 117.00 126.43 1a9c n LEU 54 Ca 0.36 0.17 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 1a9c n LEU 54 Cb 0.50 -0.17 0.44 0.00 -2.33 0.00 0.00 43.42 41.86 1a9c n LEU 54 CO 0.67 -0.15 0.71 0.00 -1.33 0.00 0.00 177.39 177.29 1a9c n ALA 55 N -1.17 2.91 -2.12 -1.18 0.00 -1.26 -3.45 120.51 114.25 1a9c n ALA 55 Ca 0.02 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 1a9c n ALA 55 Cb 0.02 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1a9c n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a9c s ASP 56 N -3.03 6.79 0.35 0.00 2.15 -0.36 -4.85 116.67 117.72 1a9c s ASP 56 Ca 0.12 2.38 0.15 0.00 0.43 0.00 0.00 52.55 55.63 1a9c s ASP 56 Cb 0.18 -2.59 1.14 0.00 -0.30 0.00 0.00 42.92 41.35 1a9c s ASP 56 CO 0.61 -0.67 1.60 -2.24 -0.17 0.00 0.00 175.17 174.31 1a9c h ASP 57 N 6.65 0.19 0.13 -0.34 2.03 -1.90 0.99 116.42 124.16 1a9c h ASP 57 Ca -0.42 0.25 -0.01 0.00 -0.73 0.00 0.00 57.03 56.12 1a9c h ASP 57 Cb 1.21 0.28 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 1a9c h ASP 57 CO 0.86 -0.34 -0.06 -1.28 -1.03 0.00 0.00 179.24 177.38 1a9c h SER 58 N 0.08 -0.15 -0.95 4.15 0.87 -1.95 -3.35 113.55 112.26 1a9c h SER 58 Ca 0.76 0.01 0.26 0.00 -1.23 0.00 0.00 61.79 61.58 1a9c h SER 58 Cb 1.87 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.82 1a9c h SER 58 CO -0.76 0.09 0.66 -0.07 -0.53 0.00 0.00 176.83 176.22 1a9c h LEU 59 N -0.56 0.13 -1.20 2.23 3.38 -1.73 -2.87 115.31 114.69 1a9c h LEU 59 Ca -0.02 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.26 1a9c h LEU 59 Cb 0.13 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.76 1a9c h LEU 59 CO 0.03 0.04 0.65 -0.03 0.09 0.00 0.00 178.44 179.22 1a9c h MET 60 N 0.13 0.39 -0.16 1.13 4.05 -0.85 -2.05 114.93 117.57 1a9c h MET 60 Ca 0.47 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.87 1a9c h MET 60 Cb 1.64 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.35 1a9c h MET 60 CO -0.07 0.26 0.00 0.39 0.23 0.00 0.00 176.91 177.72 1a9c n GLU 61 N -4.78 2.22 -0.12 0.39 1.02 -1.08 -4.60 120.64 113.69 1a9c n GLU 61 Ca 0.28 -1.98 -0.05 0.00 -0.02 0.00 0.00 57.16 55.39 1a9c n GLU 61 Cb 0.92 -1.45 0.02 0.00 -0.02 0.00 0.00 31.44 30.91 1a9c n GLU 61 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1a9c h THR 62 N 4.29 0.68 -0.88 2.62 2.02 -1.53 -0.65 112.91 119.46 1a9c h THR 62 Ca 0.00 -0.03 0.12 0.00 0.77 0.00 0.00 66.41 67.27 1a9c h THR 62 Cb 0.93 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.87 1a9c h THR 62 CO 0.00 0.01 0.57 -0.65 0.37 0.00 0.00 175.52 175.82 1a9c h PRO 63 N 0.08 0.77 -0.03 6.66 0.11 -1.81 0.17 132.00 137.95 1a9c h PRO 63 Ca 0.19 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1a9c h PRO 63 Cb 0.28 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 1a9c h PRO 63 CO -0.34 0.51 -0.01 0.45 -0.21 0.00 0.00 178.00 178.40 1a9c h HIS 64 N 0.79 0.08 -0.94 0.65 3.86 -1.63 -1.55 115.15 116.41 1a9c h HIS 64 Ca 0.43 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.66 1a9c h HIS 64 Cb 0.54 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.94 1a9c h HIS 64 CO -0.00 0.45 0.61 0.00 0.86 0.00 0.00 177.93 179.85 1a9c h ARG 65 N -0.31 1.13 -0.15 2.45 3.08 0.00 -1.45 114.38 119.13 1a9c h ARG 65 Ca 0.01 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1a9c h ARG 65 Cb 0.43 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1a9c h ARG 65 CO 0.00 0.75 -0.04 0.82 -1.07 0.00 0.00 179.97 180.43 1a9c h ILE 66 N 1.17 1.29 -0.31 2.04 2.04 -0.66 -0.65 117.51 122.43 1a9c h ILE 66 Ca 0.38 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 65.28 1a9c h ILE 66 Cb 0.04 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1a9c h ILE 66 CO -0.13 0.30 0.06 0.00 0.00 0.00 0.00 178.15 178.38 1a9c h ALA 67 N 0.71 0.32 -0.43 1.87 0.00 -1.01 0.07 119.26 120.80 1a9c h ALA 67 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1a9c h ALA 67 Cb 0.48 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1a9c h ALA 67 CO 0.02 -0.34 0.26 -0.22 0.00 0.00 0.00 179.25 178.96 1a9c h LYS 68 N 0.18 0.58 -0.01 0.00 3.64 -1.23 -1.78 116.57 117.94 1a9c h LYS 68 Ca 0.14 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1a9c h LYS 68 Cb 0.15 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1a9c h LYS 68 CO -0.19 0.43 -0.07 1.98 -2.27 0.00 0.00 179.45 179.34 1a9c h MET 69 N 0.57 -0.11 0.47 1.90 4.05 -0.52 0.32 114.93 121.61 1a9c h MET 69 Ca 0.15 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1a9c h MET 69 Cb 0.00 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1a9c h MET 69 CO -0.03 -0.07 -0.24 1.88 0.23 0.00 0.00 176.91 178.68 1a9c h TYR 70 N -0.11 -0.63 0.19 1.39 -1.99 -0.87 0.62 116.97 115.57 1a9c h TYR 70 Ca 0.03 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1a9c h TYR 70 Cb 0.15 0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1a9c h TYR 70 CO -0.14 -0.39 -0.09 0.28 -0.00 0.00 0.00 178.16 177.82 1a9c h VAL 71 N -0.66 0.89 0.18 -2.88 2.07 -1.23 -2.34 116.25 112.29 1a9c h VAL 71 Ca -0.06 -0.87 -0.33 0.00 0.82 0.00 0.00 66.70 66.26 1a9c h VAL 71 Cb 0.52 1.37 0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1a9c h VAL 71 CO 0.09 0.18 -1.59 0.44 0.02 0.00 0.00 177.57 176.72 1a9c h ASP 72 N -0.72 0.60 0.00 0.57 3.32 -0.48 -3.34 116.42 116.37 1a9c h ASP 72 Ca -0.03 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.24 1a9c h ASP 72 Cb 0.50 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1a9c h ASP 72 CO 0.04 1.64 0.00 -0.62 -1.72 0.00 0.00 179.24 178.59 1a9c n GLU 73 N -3.58 0.00 0.29 3.56 1.02 -0.36 -4.46 120.64 117.10 1a9c n GLU 73 Ca -0.19 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.11 1a9c n GLU 73 Cb 1.07 0.00 0.83 0.00 -0.02 0.00 0.00 31.44 33.32 1a9c n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1a9c h ILE 74 N 0.00 0.09 -0.02 -3.67 3.07 -1.14 -1.59 117.51 114.26 1a9c h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1a9c h ILE 74 Cb 0.00 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 37.24 1a9c h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1a9c n PHE 75 N -3.09 0.05 0.32 0.16 3.72 -0.88 -2.91 117.46 114.83 1a9c n PHE 75 Ca -0.00 -0.84 0.21 0.00 -0.05 0.00 0.00 57.45 56.77 1a9c n PHE 75 Cb 0.41 -0.13 1.09 0.00 -0.94 0.00 0.00 39.48 39.91 1a9c n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a9c h SER 76 N 0.11 0.00 0.38 4.37 4.64 -1.27 -1.76 113.55 120.02 1a9c h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a9c h SER 76 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1a9c h SER 76 CO 0.01 0.01 0.00 1.23 -0.87 0.00 0.00 176.83 177.21 1a9c h GLY 77 N 0.29 0.00 2.00 -0.77 0.00 -0.99 -2.06 103.07 101.54 1a9c h GLY 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a9c h GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1a9c h LEU 78 N 0.00 0.00 -8.34 3.11 3.38 -1.42 -3.41 115.31 108.62 1a9c h LEU 78 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 1a9c h LEU 78 Cb 0.19 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.69 1a9c h LEU 78 CO 0.00 0.00 -0.53 -0.62 0.09 0.00 0.00 178.44 177.38 1a9c s ASP 79 N -5.44 5.66 0.00 -0.43 -1.08 -0.77 -4.95 116.67 109.66 1a9c s ASP 79 Ca 0.02 -1.02 0.04 0.00 -0.52 0.00 0.00 52.55 51.08 1a9c s ASP 79 Cb 0.09 -2.00 0.22 0.00 -1.46 0.00 0.00 42.92 39.77 1a9c s ASP 79 CO 0.52 -0.38 0.87 -1.22 0.52 0.00 0.00 175.17 175.49 1a9c n TYR 80 N 4.97 0.00 0.31 -5.34 4.02 -1.26 -0.13 117.16 119.72 1a9c n TYR 80 Ca -0.12 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.92 1a9c n TYR 80 Cb 0.46 -0.19 0.51 0.00 -0.02 0.00 0.00 39.34 40.10 1a9c n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a9c h ALA 81 N 2.21 1.00 -0.21 -0.72 0.00 -1.92 -2.62 119.26 117.00 1a9c h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a9c h ALA 81 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1a9c h ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1a9c n ASN 82 N -2.91 2.32 -4.78 0.00 3.02 0.81 -4.96 115.26 108.77 1a9c n ASN 82 Ca 0.02 -1.80 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 1a9c n ASN 82 Cb 0.36 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 1a9c n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1a9c s PHE 83 N -1.74 2.73 0.74 3.10 5.36 -0.99 -4.96 117.98 122.22 1a9c s PHE 83 Ca 0.34 1.26 -0.13 0.00 -0.96 0.00 0.00 56.93 57.44 1a9c s PHE 83 Cb 0.20 -3.90 0.05 0.00 -0.34 0.00 0.00 43.02 39.02 1a9c s PHE 83 CO 0.29 -2.61 1.13 -1.25 -1.46 0.00 0.00 175.22 171.32 1a9c s PRO 84 N -2.02 2.24 -0.23 10.12 0.04 -1.26 -4.97 135.00 138.92 1a9c s PRO 84 Ca 0.52 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.71 1a9c s PRO 84 Cb -0.44 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1a9c s PRO 84 CO 0.59 -1.70 0.98 0.15 0.04 0.00 0.00 177.00 177.06 1a9c s LYS 85 N -4.36 4.24 -0.05 4.56 1.02 -1.26 -4.93 119.74 118.96 1a9c s LYS 85 Ca 0.67 1.23 -0.15 0.00 0.02 0.00 0.00 55.97 57.74 1a9c s LYS 85 Cb -0.22 -3.64 -0.05 0.00 -0.52 0.00 0.00 37.83 33.40 1a9c s LYS 85 CO 0.49 -0.59 0.40 0.42 -0.92 0.00 0.00 175.35 175.15 1a9c s ILE 86 N 3.08 5.11 -0.06 2.17 1.09 -1.26 -4.96 121.20 126.37 1a9c s ILE 86 Ca 0.41 0.82 0.02 0.00 -1.10 0.00 0.00 60.65 60.80 1a9c s ILE 86 Cb -0.15 -3.72 0.01 0.00 -1.06 0.00 0.00 42.46 37.54 1a9c s ILE 86 CO 0.06 0.50 -0.11 0.42 -0.10 0.00 0.00 174.94 175.71 1a9c s THR 87 N -0.51 1.06 -0.01 2.92 -4.23 -1.26 -5.10 115.64 108.52 1a9c s THR 87 Ca 0.23 -0.44 0.07 0.00 -1.18 0.00 0.00 61.69 60.37 1a9c s THR 87 Cb -0.16 -0.98 -0.02 0.00 1.34 0.00 0.00 72.50 72.68 1a9c s THR 87 CO 0.11 0.34 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.56 1a9c s LEU 88 N 0.70 2.06 0.01 4.79 1.43 -1.26 -1.80 118.68 124.61 1a9c s LEU 88 Ca -0.14 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1a9c s LEU 88 Cb -0.16 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1a9c s LEU 88 CO 0.03 0.25 -0.04 0.27 0.23 0.00 0.00 176.35 177.10 1a9c s ILE 89 N -0.54 3.86 0.25 -0.59 -4.36 0.30 -4.93 121.20 115.19 1a9c s ILE 89 Ca 0.08 -0.73 -0.31 0.00 -0.26 0.00 0.00 60.65 59.43 1a9c s ILE 89 Cb -0.08 -2.71 -0.11 0.00 1.25 0.00 0.00 42.46 40.81 1a9c s ILE 89 CO -0.00 0.36 1.60 -0.70 0.24 0.00 0.00 174.94 176.43 1a9c s GLU 90 N -1.55 4.16 -1.09 0.37 2.12 -1.26 -0.67 118.70 120.78 1a9c s GLU 90 Ca 0.19 2.51 -0.16 0.00 0.36 0.00 0.00 54.97 57.86 1a9c s GLU 90 Cb -0.11 -3.07 -0.07 0.00 0.26 0.00 0.00 34.13 31.13 1a9c s GLU 90 CO 0.09 -0.62 2.13 -1.71 -0.54 0.00 0.00 175.26 174.61 1a9c n ASN 91 N 2.91 3.77 0.11 -1.70 5.15 -0.46 -4.55 115.26 120.50 1a9c n ASN 91 Ca 0.11 -2.68 -0.01 0.00 -0.60 0.00 0.00 54.58 51.40 1a9c n ASN 91 Cb 0.37 -1.33 0.03 0.00 -0.53 0.00 0.00 39.78 38.33 1a9c n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1a9c h LYS 92 N 6.83 0.00 0.00 1.20 1.57 -1.89 -3.07 116.57 121.21 1a9c h LYS 92 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1a9c h LYS 92 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1a9c h LYS 92 CO 1.86 0.69 0.00 -1.33 -0.57 0.00 0.00 179.45 180.10 1a9c n MET 93 N -3.38 0.03 -3.58 3.15 2.81 -1.26 -4.85 117.12 110.03 1a9c n MET 93 Ca 0.01 0.39 -0.21 0.00 -1.81 0.00 0.00 57.70 56.07 1a9c n MET 93 Cb 0.77 -1.58 0.07 0.00 -0.71 0.00 0.00 33.22 31.77 1a9c n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a9c n LYS 94 N -1.64 -6.34 -2.35 0.03 5.02 -1.16 -4.92 118.16 106.80 1a9c n LYS 94 Ca 0.02 0.76 -0.42 0.00 -2.02 0.00 0.00 58.31 56.65 1a9c n LYS 94 Cb 0.11 -5.66 -0.03 0.00 -0.02 0.00 0.00 35.03 29.43 1a9c n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a9c s VAL 95 N -3.43 4.02 -0.02 -0.18 1.01 -1.26 -4.87 120.40 115.66 1a9c s VAL 95 Ca 0.17 1.36 0.04 0.00 0.00 0.00 0.00 61.98 63.55 1a9c s VAL 95 Cb -0.08 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.48 1a9c s VAL 95 CO 0.76 -0.01 0.95 -0.90 0.00 0.00 0.00 175.10 175.90 1a9c n ASP 96 N 5.33 1.63 -4.47 3.32 5.68 -1.26 -4.47 116.55 122.30 1a9c n ASP 96 Ca 0.12 -2.04 -0.26 0.00 -0.50 0.00 0.00 54.79 52.11 1a9c n ASP 96 Cb 0.45 -0.09 -0.11 0.00 -1.14 0.00 0.00 41.12 40.23 1a9c n ASP 96 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1a9c s GLU 97 N -1.14 1.68 0.50 0.11 0.41 -1.26 -4.93 118.70 114.07 1a9c s GLU 97 Ca 0.06 -1.54 -0.22 0.00 -0.41 0.00 0.00 54.97 52.86 1a9c s GLU 97 Cb 0.05 -1.89 -0.06 0.00 -1.78 0.00 0.00 34.13 30.45 1a9c s GLU 97 CO 0.01 0.39 1.23 0.00 -0.49 0.00 0.00 175.26 176.39 1a9c s MET 98 N -2.94 3.51 -0.16 1.61 0.23 -1.26 -4.33 119.30 115.96 1a9c s MET 98 Ca 0.24 1.93 -0.03 0.00 -1.03 0.00 0.00 55.69 56.79 1a9c s MET 98 Cb -0.07 -2.33 -0.02 0.00 -1.53 0.00 0.00 34.83 30.87 1a9c s MET 98 CO 0.12 -0.80 -0.04 0.08 -2.03 0.00 0.00 175.02 172.35 1a9c s VAL 99 N -1.47 3.78 -0.13 5.16 1.01 0.46 -4.92 120.40 124.29 1a9c s VAL 99 Ca 0.67 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1a9c s VAL 99 Cb -0.33 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1a9c s VAL 99 CO 0.39 0.48 -0.21 -0.89 0.00 0.00 0.00 175.10 174.87 1a9c s THR 100 N 0.51 1.94 -0.30 3.92 2.01 -1.26 -1.56 115.64 120.90 1a9c s THR 100 Ca -0.04 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 1a9c s THR 100 Cb -0.14 -1.72 0.01 0.00 0.01 0.00 0.00 72.50 70.66 1a9c s THR 100 CO 0.03 0.53 0.07 -0.69 -0.69 0.00 0.00 174.62 173.87 1a9c s VAL 101 N 0.76 3.83 0.20 3.82 1.01 0.65 -5.00 120.40 125.67 1a9c s VAL 101 Ca -0.09 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1a9c s VAL 101 Cb -0.16 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1a9c s VAL 101 CO 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 175.10 175.15 1a9c s ARG 102 N 1.47 2.35 -1.36 2.72 1.70 -1.26 -1.06 118.95 123.50 1a9c s ARG 102 Ca 0.02 -1.21 -0.08 0.00 -0.47 0.00 0.00 55.73 53.98 1a9c s ARG 102 Cb -0.17 -2.29 0.02 0.00 -0.57 0.00 0.00 34.95 31.94 1a9c s ARG 102 CO 0.02 0.42 1.14 -0.25 -1.08 0.00 0.00 175.30 175.56 1a9c n ASP 103 N -0.36 -5.73 -4.68 -2.89 8.00 -1.11 -4.94 116.55 104.84 1a9c n ASP 103 Ca -0.09 -0.58 -0.42 0.00 0.71 0.00 0.00 54.79 54.41 1a9c n ASP 103 Cb 0.56 -4.91 -0.03 0.00 -0.02 0.00 0.00 41.12 36.72 1a9c n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a9c s ILE 104 N -3.33 3.84 0.14 0.53 1.01 0.09 -4.81 121.20 118.68 1a9c s ILE 104 Ca 0.53 1.16 -0.31 0.00 0.00 0.00 0.00 60.65 62.03 1a9c s ILE 104 Cb -0.24 -3.75 -0.11 0.00 0.01 0.00 0.00 42.46 38.38 1a9c s ILE 104 CO 0.74 -0.04 1.81 -0.89 0.00 0.00 0.00 174.94 176.56 1a9c s THR 105 N 2.83 2.43 -0.11 2.92 2.01 -1.26 -1.33 115.64 123.12 1a9c s THR 105 Ca 0.63 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.66 1a9c s THR 105 Cb -0.29 -3.03 0.04 0.00 0.01 0.00 0.00 72.50 69.22 1a9c s THR 105 CO 0.24 0.00 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.95 1a9c s LEU 106 N 2.41 0.89 -0.13 4.42 0.20 -0.39 -4.82 118.68 121.26 1a9c s LEU 106 Ca 0.80 -0.33 0.01 0.00 0.69 0.00 0.00 54.13 55.30 1a9c s LEU 106 Cb -0.47 -0.57 0.02 0.00 -0.43 0.00 0.00 46.19 44.74 1a9c s LEU 106 CO 0.35 -0.21 -0.16 0.42 -0.29 0.00 0.00 176.35 176.47 1a9c s THR 107 N 1.88 1.61 0.22 3.68 -4.23 -1.26 -0.79 115.64 116.75 1a9c s THR 107 Ca 0.03 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1a9c s THR 107 Cb -0.14 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.22 1a9c s THR 107 CO -0.06 0.46 0.12 -0.24 -0.54 0.00 0.00 174.62 174.36 1a9c n SER 108 N 4.38 0.44 -3.99 3.99 2.88 0.20 -4.45 113.62 117.07 1a9c n SER 108 Ca -0.19 -2.27 -0.21 0.00 -1.33 0.00 0.00 58.87 54.87 1a9c n SER 108 Cb 0.51 0.77 -0.16 0.00 -0.75 0.00 0.00 64.21 64.58 1a9c n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1a9c s THR 109 N -2.59 0.84 0.12 2.46 2.01 -1.25 -0.61 115.64 116.63 1a9c s THR 109 Ca 0.17 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 1a9c s THR 109 Cb 0.01 -0.77 -0.06 0.00 0.01 0.00 0.00 72.50 71.68 1a9c s THR 109 CO 0.12 0.27 1.10 -0.94 -0.69 0.00 0.00 174.62 174.49 1a9c s SER 110 N 0.45 7.24 0.41 3.53 1.04 -0.04 -0.01 113.70 126.32 1a9c s SER 110 Ca -0.08 2.00 0.29 0.00 0.48 0.00 0.00 55.95 58.64 1a9c s SER 110 Cb -0.12 -2.59 1.12 0.00 0.10 0.00 0.00 66.02 64.53 1a9c s SER 110 CO 0.01 -0.28 1.84 1.05 0.98 0.00 0.00 173.24 176.85 1a9c h GLU 111 N 5.77 0.00 0.03 4.02 4.11 -1.38 0.29 114.58 127.41 1a9c h GLU 111 Ca -0.43 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.78 1a9c h GLU 111 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1a9c h GLU 111 CO 0.75 0.00 -0.98 0.45 0.07 0.00 0.00 179.01 179.30 1a9c h HIS 112 N 0.00 0.27 0.00 2.06 3.86 -1.91 -3.39 115.15 116.04 1a9c h HIS 112 Ca 0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1a9c h HIS 112 Cb 0.50 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1a9c h HIS 112 CO 0.00 1.04 0.00 0.72 0.86 0.00 0.00 177.93 180.55 1a9c n HIS 113 N -3.56 0.00 -3.86 2.45 8.25 -1.21 -5.02 115.22 112.26 1a9c n HIS 113 Ca -0.04 -0.03 -0.27 0.00 -0.26 0.00 0.00 57.72 57.12 1a9c n HIS 113 Cb 0.88 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.01 1a9c n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1a9c n PHE 114 N -0.03 -2.05 -4.38 4.41 3.01 0.10 -4.98 117.46 113.55 1a9c n PHE 114 Ca 0.00 0.86 -0.27 0.00 1.01 0.00 0.00 57.45 59.04 1a9c n PHE 114 Cb 0.27 -4.03 -0.11 0.00 -0.01 0.00 0.00 39.48 35.60 1a9c n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1a9c s VAL 115 N -3.51 2.57 0.26 -4.37 1.01 -1.23 -4.84 120.40 110.28 1a9c s VAL 115 Ca 0.35 -1.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.18 1a9c s VAL 115 Cb -0.18 -2.22 -0.14 0.00 0.00 0.00 0.00 36.38 33.84 1a9c s VAL 115 CO 0.84 -0.06 1.19 0.41 0.00 0.00 0.00 175.10 177.48 1a9c n THR 116 N 0.38 1.47 -3.99 3.92 -1.04 -1.26 -0.86 114.28 112.90 1a9c n THR 116 Ca -0.13 -0.37 -0.30 0.00 -2.04 0.00 0.00 64.05 61.20 1a9c n THR 116 Cb 0.55 -1.17 -0.16 0.00 -1.82 0.00 0.00 70.33 67.74 1a9c n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1a9c s ILE 117 N -0.61 1.64 -0.15 12.58 1.01 0.22 -1.00 121.20 134.89 1a9c s ILE 117 Ca 0.64 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1a9c s ILE 117 Cb -0.70 -1.74 -0.00 0.00 0.01 0.00 0.00 42.46 40.02 1a9c s ILE 117 CO 0.56 0.13 -0.16 -0.62 0.00 0.00 0.00 174.94 174.85 1a9c s ASP 118 N 1.39 3.61 0.00 3.58 2.15 -0.38 -0.63 116.67 126.39 1a9c s ASP 118 Ca -0.02 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.48 1a9c s ASP 118 Cb -0.17 -1.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.90 1a9c s ASP 118 CO -0.08 0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 1a9c n GLY 119 N 4.04 1.91 2.85 2.66 0.00 0.03 -0.16 105.19 116.53 1a9c n GLY 119 Ca -0.19 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1a9c n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9c s LYS 120 N -1.50 0.02 0.07 1.61 1.02 0.23 -1.26 119.74 119.93 1a9c s LYS 120 Ca 0.00 0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.07 1a9c s LYS 120 Cb 0.00 -0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 1a9c s LYS 120 CO 0.00 -0.03 -0.03 0.00 -0.92 0.00 0.00 175.35 174.37 1a9c s ALA 121 N 0.24 3.20 -0.15 5.17 0.00 -0.44 -1.63 121.76 128.14 1a9c s ALA 121 Ca -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1a9c s ALA 121 Cb -0.03 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.97 1a9c s ALA 121 CO -0.01 0.67 -0.12 0.99 0.00 0.00 0.00 175.76 177.30 1a9c s THR 122 N -1.23 1.45 -0.05 0.00 2.01 0.27 -0.73 115.64 117.35 1a9c s THR 122 Ca 0.23 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.70 1a9c s THR 122 Cb -0.11 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1a9c s THR 122 CO 0.15 0.40 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.55 1a9c s VAL 123 N 1.53 2.04 0.00 3.82 1.01 -0.23 -1.19 120.40 127.39 1a9c s VAL 123 Ca 0.04 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 1a9c s VAL 123 Cb -0.13 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 1a9c s VAL 123 CO -0.10 0.57 0.07 0.00 0.00 0.00 0.00 175.10 175.64 1a9c s ALA 124 N -0.21 -0.14 0.13 5.51 0.00 -0.62 -0.26 121.76 126.17 1a9c s ALA 124 Ca -0.02 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 1a9c s ALA 124 Cb -0.13 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1a9c s ALA 124 CO 0.03 -0.15 0.40 1.52 0.00 0.00 0.00 175.76 177.56 1a9c s TYR 125 N -1.09 -0.19 -0.31 0.00 1.13 -0.60 -1.01 117.35 115.28 1a9c s TYR 125 Ca -0.12 -0.13 -0.06 0.00 -1.41 0.00 0.00 57.07 55.35 1a9c s TYR 125 Cb -0.07 0.25 0.02 0.00 -1.10 0.00 0.00 41.96 41.07 1a9c s TYR 125 CO 0.00 -0.70 0.07 0.42 -2.51 0.00 0.00 175.55 172.83 1a9c s ILE 126 N -3.81 3.75 0.22 -3.49 1.01 -0.90 -0.41 121.20 117.58 1a9c s ILE 126 Ca 0.03 -0.91 -0.32 0.00 0.00 0.00 0.00 60.65 59.46 1a9c s ILE 126 Cb 0.02 -3.01 -0.14 0.00 0.01 0.00 0.00 42.46 39.35 1a9c s ILE 126 CO -0.12 -0.01 1.39 -2.65 0.00 0.00 0.00 174.94 173.56 1a9c n PRO 127 N 4.82 1.93 0.00 2.79 -0.02 -1.26 -4.85 135.00 138.40 1a9c n PRO 127 Ca -0.14 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1a9c n PRO 127 Cb 0.46 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1a9c n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1a9c n LYS 128 N 2.11 0.00 0.07 -0.52 4.81 -1.26 -4.68 118.16 118.69 1a9c n LYS 128 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.53 1a9c n LYS 128 Cb 0.30 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.28 1a9c n LYS 128 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1a9c h ASP 129 N 0.00 0.00 -4.59 3.14 3.32 -1.90 -3.45 116.42 112.94 1a9c h ASP 129 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1a9c h ASP 129 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1a9c h ASP 129 CO 0.00 0.81 -0.70 -0.94 -1.72 0.00 0.00 179.24 176.69 1a9c s SER 130 N -6.49 1.15 -0.16 6.45 1.04 -1.26 -1.36 113.70 113.07 1a9c s SER 130 Ca 0.01 -0.99 -0.01 0.00 0.48 0.00 0.00 55.95 55.44 1a9c s SER 130 Cb 0.09 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1a9c s SER 130 CO 0.80 -0.45 -0.11 -0.69 0.98 0.00 0.00 173.24 173.76 1a9c s VAL 131 N -3.52 3.03 0.34 5.02 1.01 0.15 -4.75 120.40 121.68 1a9c s VAL 131 Ca 0.11 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 1a9c s VAL 131 Cb 0.05 -2.31 -0.10 0.00 0.00 0.00 0.00 36.38 34.02 1a9c s VAL 131 CO -0.04 0.50 0.83 -0.51 0.00 0.00 0.00 175.10 175.88 1a9c s ILE 132 N 0.79 4.49 0.12 2.22 2.07 -1.26 -0.54 121.20 129.10 1a9c s ILE 132 Ca -0.04 1.32 -0.31 0.00 -1.41 0.00 0.00 60.65 60.20 1a9c s ILE 132 Cb -0.15 -3.71 -0.09 0.00 0.13 0.00 0.00 42.46 38.63 1a9c s ILE 132 CO 0.01 -0.11 1.59 -0.83 -1.91 0.00 0.00 174.94 173.69 1a9c s GLY 133 N -2.03 1.59 0.22 1.50 0.00 -0.74 -4.90 107.32 102.95 1a9c s GLY 133 Ca 0.54 1.29 -0.16 0.00 0.00 0.00 0.00 44.72 46.38 1a9c s GLY 133 CO 0.18 2.71 1.57 1.41 0.00 0.00 0.00 173.10 178.97 1a9c h LEU 134 N 7.50 -1.17 -1.89 0.66 3.38 -1.94 -0.65 115.31 121.20 1a9c h LEU 134 Ca -0.43 0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1a9c h LEU 134 Cb 1.20 0.64 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 1a9c h LEU 134 CO 0.92 -0.29 0.18 0.77 0.09 0.00 0.00 178.44 180.11 1a9c h SER 135 N -0.05 0.12 -0.77 -0.43 4.64 -2.00 -2.25 113.55 112.81 1a9c h SER 135 Ca 0.33 -0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.72 1a9c h SER 135 Cb 0.59 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.61 1a9c h SER 135 CO -0.87 0.08 0.51 0.11 -0.87 0.00 0.00 176.83 175.79 1a9c h LYS 136 N 0.13 0.77 -0.23 4.77 1.79 -1.48 0.80 116.57 123.12 1a9c h LYS 136 Ca 0.12 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1a9c h LYS 136 Cb 0.31 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1a9c h LYS 136 CO -0.02 0.51 0.13 0.82 -1.08 0.00 0.00 179.45 179.81 1a9c h ILE 137 N 0.79 1.11 -0.17 1.86 2.04 -1.49 0.16 117.51 121.81 1a9c h ILE 137 Ca 0.34 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1a9c h ILE 137 Cb 0.30 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1a9c h ILE 137 CO -0.12 0.10 0.06 0.78 0.00 0.00 0.00 178.15 178.97 1a9c h ASN 138 N 0.27 0.06 -0.41 1.72 2.35 -1.26 -1.29 115.58 117.02 1a9c h ASN 138 Ca 0.08 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1a9c h ASN 138 Cb 0.05 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1a9c h ASN 138 CO -0.01 0.06 0.18 0.03 -1.65 0.00 0.00 177.43 176.03 1a9c h ARG 139 N 0.14 0.35 -0.76 0.81 3.08 -0.36 -0.80 114.38 116.83 1a9c h ARG 139 Ca 0.07 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1a9c h ARG 139 Cb 0.05 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1a9c h ARG 139 CO -0.08 0.23 0.35 0.82 -1.07 0.00 0.00 179.97 180.23 1a9c h ILE 140 N 0.36 1.25 -0.09 2.04 2.04 -0.46 0.00 117.51 122.65 1a9c h ILE 140 Ca 0.18 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1a9c h ILE 140 Cb 0.12 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1a9c h ILE 140 CO -0.15 0.30 0.05 0.58 0.00 0.00 0.00 178.15 178.93 1a9c h VAL 141 N 1.08 1.07 -0.88 1.67 2.07 -0.74 -2.43 116.25 118.09 1a9c h VAL 141 Ca 0.26 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1a9c h VAL 141 Cb 0.14 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1a9c h VAL 141 CO -0.03 0.06 0.54 -0.61 0.02 0.00 0.00 177.57 177.55 1a9c h GLN 142 N 0.07 1.20 0.42 1.57 4.15 -0.88 -0.50 115.11 121.13 1a9c h GLN 142 Ca 0.03 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1a9c h GLN 142 Cb 0.05 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1a9c h GLN 142 CO -0.01 0.83 -0.47 0.35 -1.93 0.00 0.00 178.83 177.61 1a9c h PHE 143 N 1.22 -1.30 0.00 3.99 3.57 -0.65 0.05 116.94 123.81 1a9c h PHE 143 Ca 0.32 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 1a9c h PHE 143 Cb -0.06 0.51 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1a9c h PHE 143 CO 0.00 -0.61 -0.15 0.74 -2.23 0.00 0.00 178.31 176.06 1a9c h PHE 144 N -0.90 0.00 -0.12 0.41 0.04 -1.32 -1.87 116.94 113.18 1a9c h PHE 144 Ca -0.05 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.62 1a9c h PHE 144 Cb 0.79 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1a9c h PHE 144 CO -0.27 0.15 -0.36 0.00 -0.60 0.00 0.00 178.31 177.23 1a9c h ALA 145 N 1.85 1.16 0.00 2.45 0.00 -0.40 -3.31 119.26 121.00 1a9c h ALA 145 Ca -0.00 -0.38 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 1a9c h ALA 145 Cb 0.38 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.11 1a9c h ALA 145 CO 0.02 0.56 3.46 1.04 0.00 0.00 0.00 179.25 184.32 1a9c n GLN 146 N -4.07 3.21 -3.58 0.00 1.13 -0.06 -4.17 117.38 109.85 1a9c n GLN 146 Ca -0.01 -1.97 -0.10 0.00 -1.94 0.00 0.00 57.00 52.98 1a9c n GLN 146 Cb 0.45 -2.69 -0.03 0.00 0.11 0.00 0.00 30.24 28.08 1a9c n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1a9c s ARG 147 N 2.53 1.38 -0.25 -1.09 0.52 -1.15 -0.56 118.95 120.33 1a9c s ARG 147 Ca 0.61 -0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 54.87 1a9c s ARG 147 Cb 0.16 0.57 -0.01 0.00 0.52 0.00 0.00 34.95 36.19 1a9c s ARG 147 CO -0.05 -0.60 1.34 -2.14 0.02 0.00 0.00 175.30 173.86 1a9c s PRO 148 N -3.81 3.98 0.46 3.54 0.02 -1.26 -3.76 135.00 134.18 1a9c s PRO 148 Ca 0.04 1.41 0.05 0.00 0.02 0.00 0.00 61.00 62.52 1a9c s PRO 148 Cb -0.02 -3.87 -0.04 0.00 0.02 0.00 0.00 34.50 30.60 1a9c s PRO 148 CO -0.07 -1.04 0.08 -0.65 -0.33 0.00 0.00 177.00 175.00 1a9c s GLN 149 N 4.06 2.14 -0.09 5.54 -1.52 0.99 -4.60 119.66 126.18 1a9c s GLN 149 Ca 0.58 -2.16 -0.02 0.00 -1.95 0.00 0.00 55.36 51.81 1a9c s GLN 149 Cb -0.19 -1.72 0.03 0.00 -0.22 0.00 0.00 33.01 30.91 1a9c s GLN 149 CO 0.22 -0.25 0.01 0.08 -0.25 0.00 0.00 175.29 175.10 1a9c s VAL 150 N -2.76 0.38 0.31 1.09 1.01 -1.26 -1.14 120.40 118.02 1a9c s VAL 150 Ca 0.25 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.32 1a9c s VAL 150 Cb 0.04 -0.60 0.31 0.00 0.00 0.00 0.00 36.38 36.12 1a9c s VAL 150 CO 0.13 0.18 1.69 -0.61 0.00 0.00 0.00 175.10 176.49 1a9c h GLN 151 N 8.32 0.37 -0.76 2.72 4.15 -1.99 0.13 115.11 128.06 1a9c h GLN 151 Ca -0.19 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.25 1a9c h GLN 151 Cb 1.12 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.69 1a9c h GLN 151 CO 0.27 0.25 0.50 0.93 -1.93 0.00 0.00 178.83 178.85 1a9c h GLU 152 N 0.38 0.88 0.08 1.69 3.07 -1.99 -1.91 114.58 116.78 1a9c h GLU 152 Ca 0.61 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 59.24 1a9c h GLU 152 Cb 1.23 -0.20 0.02 0.00 -0.84 0.00 0.00 28.75 28.96 1a9c h GLU 152 CO -0.56 0.58 -0.74 -0.09 -1.40 0.00 0.00 179.01 176.80 1a9c h ARG 153 N 0.91 0.36 -0.58 2.33 2.43 -1.22 -3.21 114.38 115.39 1a9c h ARG 153 Ca 0.31 -0.50 0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1a9c h ARG 153 Cb 0.09 0.17 -0.09 0.00 -0.42 0.00 0.00 29.97 29.72 1a9c h ARG 153 CO -0.09 1.19 0.10 1.25 -1.51 0.00 0.00 179.97 180.91 1a9c h LEU 154 N -0.24 -0.04 -0.34 3.80 5.85 -0.87 0.41 115.31 123.88 1a9c h LEU 154 Ca -0.12 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1a9c h LEU 154 Cb 1.52 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 1a9c h LEU 154 CO 0.14 -0.01 0.21 0.74 -0.34 0.00 0.00 178.44 179.18 1a9c h THR 155 N 0.23 1.05 -0.08 1.05 2.02 -1.46 -1.75 112.91 113.98 1a9c h THR 155 Ca 0.31 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.35 1a9c h THR 155 Cb 0.46 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1a9c h THR 155 CO -0.41 0.08 0.02 1.56 0.37 0.00 0.00 175.52 177.14 1a9c h GLN 156 N 0.43 0.06 -0.14 6.66 1.08 -1.29 -1.89 115.11 120.02 1a9c h GLN 156 Ca 0.13 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.37 1a9c h GLN 156 Cb -0.02 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.36 1a9c h GLN 156 CO -0.05 0.04 -0.12 1.96 -0.95 0.00 0.00 178.83 179.71 1a9c h GLN 157 N 0.06 -0.14 -0.69 1.46 4.20 -0.72 -1.20 115.11 118.09 1a9c h GLN 157 Ca 0.03 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.81 1a9c h GLN 157 Cb 0.02 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.77 1a9c h GLN 157 CO -0.04 -0.09 0.38 0.82 -0.67 0.00 0.00 178.83 179.24 1a9c h ILE 158 N -0.15 0.97 0.15 2.54 2.04 -1.19 0.07 117.51 121.94 1a9c h ILE 158 Ca 0.09 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.72 1a9c h ILE 158 Cb 0.28 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1a9c h ILE 158 CO -0.22 0.13 -0.22 0.25 0.00 0.00 0.00 178.15 178.08 1a9c h LEU 159 N 0.71 -0.62 -0.47 1.44 5.85 -0.68 -1.86 115.31 119.68 1a9c h LEU 159 Ca 0.31 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 1a9c h LEU 159 Cb 0.20 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1a9c h LEU 159 CO -0.19 -0.32 0.22 0.40 -0.34 0.00 0.00 178.44 178.22 1a9c h ILE 160 N -0.44 1.19 -0.41 4.05 2.04 -0.83 -0.55 117.51 122.56 1a9c h ILE 160 Ca 0.02 -0.54 0.07 0.00 1.00 0.00 0.00 64.86 65.40 1a9c h ILE 160 Cb 0.44 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1a9c h ILE 160 CO -0.10 0.21 0.05 0.00 0.00 0.00 0.00 178.15 178.31 1a9c h ALA 161 N 1.06 0.42 -0.31 1.87 0.00 -0.84 -0.46 119.26 121.00 1a9c h ALA 161 Ca 0.16 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1a9c h ALA 161 Cb 0.13 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1a9c h ALA 161 CO -0.02 -0.35 -0.02 -0.07 0.00 0.00 0.00 179.25 178.79 1a9c h LEU 162 N 0.16 0.56 -0.84 0.00 3.38 -1.11 -1.76 115.31 115.71 1a9c h LEU 162 Ca 0.20 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1a9c h LEU 162 Cb 0.26 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1a9c h LEU 162 CO -0.29 0.75 0.51 1.56 0.09 0.00 0.00 178.44 181.06 1a9c h GLN 163 N 0.36 0.90 0.62 1.13 4.20 -0.70 0.27 115.11 121.89 1a9c h GLN 163 Ca 0.09 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1a9c h GLN 163 Cb 0.48 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1a9c h GLN 163 CO 0.02 0.60 -0.30 1.15 -0.67 0.00 0.00 178.83 179.63 1a9c h THR 164 N 0.93 0.34 -0.70 -0.54 2.02 -0.96 -0.95 112.91 113.04 1a9c h THR 164 Ca 0.37 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 1a9c h THR 164 Cb 0.19 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1a9c h THR 164 CO -0.18 0.02 0.31 -0.07 0.37 0.00 0.00 175.52 175.97 1a9c h LEU 165 N -0.96 0.95 -0.22 2.58 3.38 -1.10 -3.06 115.31 116.88 1a9c h LEU 165 Ca -0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1a9c h LEU 165 Cb 0.68 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1a9c h LEU 165 CO 0.14 0.84 -0.01 -0.07 0.09 0.00 0.00 178.44 179.43 1a9c h LEU 166 N 0.99 0.00 0.17 1.67 3.38 -0.99 -3.48 115.31 117.06 1a9c h LEU 166 Ca 0.24 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.00 1a9c h LEU 166 Cb 0.17 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.95 1a9c h LEU 166 CO -0.02 0.01 -0.31 0.61 0.09 0.00 0.00 178.44 178.81 1a9c n GLY 167 N 0.94 0.08 3.23 0.83 0.00 -0.38 -4.67 105.19 105.21 1a9c n GLY 167 Ca 0.03 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1a9c n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9c s THR 168 N -2.88 0.03 -0.84 2.61 2.01 -1.11 -4.89 115.64 110.58 1a9c s THR 168 Ca 0.16 -0.28 0.25 0.00 0.31 0.00 0.00 61.69 62.13 1a9c s THR 168 Cb -0.07 -0.54 0.05 0.00 0.01 0.00 0.00 72.50 71.94 1a9c s THR 168 CO 0.20 -0.15 1.43 0.59 -0.69 0.00 0.00 174.62 176.00 1a9c n ASN 169 N 1.98 0.54 -4.17 3.53 3.02 -1.26 -4.35 115.26 114.55 1a9c n ASN 169 Ca -0.18 -0.01 -0.39 0.00 -0.03 0.00 0.00 54.58 53.97 1a9c n ASN 169 Cb 0.57 0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.84 1a9c n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a9c n ASN 170 N -1.77 3.67 -3.96 6.41 3.02 -1.26 -1.33 115.26 120.04 1a9c n ASN 170 Ca 0.05 -2.79 -0.11 0.00 -0.03 0.00 0.00 54.58 51.69 1a9c n ASN 170 Cb 0.38 -1.58 -0.12 0.00 -0.61 0.00 0.00 39.78 37.85 1a9c n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a9c s VAL 171 N 5.93 0.18 -0.03 2.41 1.01 -1.24 -2.12 120.40 126.55 1a9c s VAL 171 Ca 0.57 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1a9c s VAL 171 Cb 0.07 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.21 1a9c s VAL 171 CO 0.07 -0.27 0.06 0.00 0.00 0.00 0.00 175.10 174.96 1a9c s ALA 172 N -0.87 -0.13 -0.03 5.51 0.00 -0.18 -0.56 121.76 125.50 1a9c s ALA 172 Ca -0.08 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.13 1a9c s ALA 172 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1a9c s ALA 172 CO -0.00 -0.05 -0.09 0.08 0.00 0.00 0.00 175.76 175.70 1a9c s VAL 173 N 0.26 0.78 -0.03 0.00 1.01 -0.22 -1.59 120.40 120.61 1a9c s VAL 173 Ca -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1a9c s VAL 173 Cb -0.03 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.67 1a9c s VAL 173 CO -0.01 0.24 -0.04 -0.55 0.00 0.00 0.00 175.10 174.74 1a9c s SER 174 N 0.19 0.72 -0.07 3.32 0.15 -0.33 -0.41 113.70 117.27 1a9c s SER 174 Ca -0.03 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.54 1a9c s SER 174 Cb -0.08 -0.26 0.01 0.00 -1.71 0.00 0.00 66.02 63.98 1a9c s SER 174 CO 0.00 -0.02 -0.11 -0.63 1.20 0.00 0.00 173.24 173.69 1a9c s ILE 175 N 0.53 1.06 -0.17 6.45 1.01 0.25 -0.57 121.20 129.77 1a9c s ILE 175 Ca -0.06 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.16 1a9c s ILE 175 Cb -0.10 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.39 1a9c s ILE 175 CO -0.00 0.34 -0.14 -0.62 0.00 0.00 0.00 174.94 174.52 1a9c s ASP 176 N 0.76 3.70 0.07 3.58 -1.08 -0.65 -1.01 116.67 122.05 1a9c s ASP 176 Ca -0.13 -0.48 -0.13 0.00 -0.52 0.00 0.00 52.55 51.30 1a9c s ASP 176 Cb -0.15 -1.58 0.02 0.00 -1.46 0.00 0.00 42.92 39.74 1a9c s ASP 176 CO 0.02 0.05 0.29 0.00 0.52 0.00 0.00 175.17 176.06 1a9c s ALA 177 N 1.00 -0.59 -0.17 3.66 0.00 0.03 -0.61 121.76 125.09 1a9c s ALA 177 Ca -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 1a9c s ALA 177 Cb -0.15 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1a9c s ALA 177 CO -0.03 -0.49 -0.03 0.08 0.00 0.00 0.00 175.76 175.30 1a9c s VAL 178 N -3.20 3.85 -0.31 0.00 1.01 0.77 -0.87 120.40 121.65 1a9c s VAL 178 Ca -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1a9c s VAL 178 Cb 0.01 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1a9c s VAL 178 CO -0.07 0.47 0.19 -1.00 0.00 0.00 0.00 175.10 174.69 1a9c s HIS 179 N 0.59 3.20 -1.05 5.22 3.76 -1.26 -1.24 115.29 124.51 1a9c s HIS 179 Ca -0.02 -0.26 0.15 0.00 -0.15 0.00 0.00 55.06 54.77 1a9c s HIS 179 Cb -0.14 -2.40 0.64 0.00 1.11 0.00 0.00 32.58 31.79 1a9c s HIS 179 CO 0.02 -0.34 1.47 0.66 -0.85 0.00 0.00 174.74 175.70 1a9c n TYR 180 N 5.05 0.00 1.49 1.40 4.02 -0.17 -1.32 117.16 127.62 1a9c n TYR 180 Ca -0.14 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.83 1a9c n TYR 180 Cb 0.50 -0.48 0.32 0.00 -0.02 0.00 0.00 39.34 39.66 1a9c n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a9c n VAL 182 N -0.07 0.00 -0.07 0.00 0.31 -0.44 -4.66 118.33 113.40 1a9c n VAL 182 Ca 0.12 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.34 1a9c n VAL 182 Cb 0.20 -0.56 -0.08 0.00 -0.91 0.00 0.00 33.84 32.49 1a9c n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1a9c h LYS 183 N 0.00 0.00 0.00 5.55 3.64 -1.27 -0.78 116.57 123.71 1a9c h LYS 183 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a9c h LYS 183 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1a9c h LYS 183 CO 0.00 0.61 0.00 0.00 -2.27 0.00 0.00 179.45 177.79 1a9c n ALA 184 N -2.94 1.92 -3.79 5.00 0.00 -0.09 -4.17 120.51 116.45 1a9c n ALA 184 Ca -0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 1a9c n ALA 184 Cb 0.36 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 1a9c n ALA 184 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1a9c s ARG 185 N -3.09 1.31 7.61 0.00 3.03 -1.25 -4.96 118.95 121.60 1a9c s ARG 185 Ca 0.09 -0.76 0.00 0.00 2.03 0.00 0.00 55.73 57.08 1a9c s ARG 185 Cb 0.12 0.42 0.00 0.00 -1.03 0.00 0.00 34.95 34.46 1a9c s ARG 185 CO 0.41 -0.60 0.00 0.41 -1.13 0.00 0.00 175.30 174.39 1a9c n GLY 186 N -0.53 2.42 0.22 3.88 0.00 -1.26 -2.56 105.19 107.36 1a9c n GLY 186 Ca -0.05 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.79 1a9c n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a9c h ILE 187 N 0.00 0.00 -6.27 -0.61 2.10 -1.88 -3.47 117.51 107.38 1a9c h ILE 187 Ca 0.00 -0.60 -0.46 0.00 1.08 0.00 0.00 64.86 64.89 1a9c h ILE 187 Cb 0.00 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 1a9c h ILE 187 CO 0.00 0.00 -0.85 0.54 -1.08 0.00 0.00 178.15 176.76 1a9c n ARG 188 N -2.86 -4.33 -2.69 2.19 1.74 -0.50 -4.91 116.66 105.30 1a9c n ARG 188 Ca 0.02 0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 57.22 1a9c n ARG 188 Cb 0.37 -4.97 -0.03 0.00 -1.02 0.00 0.00 32.46 26.81 1a9c n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a9c s ASP 189 N -4.26 6.28 0.38 0.55 -1.08 -0.42 -4.87 116.67 113.24 1a9c s ASP 189 Ca 0.07 -0.39 0.28 0.00 -0.52 0.00 0.00 52.55 51.99 1a9c s ASP 189 Cb -0.04 -2.50 1.16 0.00 -1.46 0.00 0.00 42.92 40.09 1a9c s ASP 189 CO 0.84 -1.51 1.83 0.00 0.52 0.00 0.00 175.17 176.85 1a9c h ALA 190 N 9.63 1.00 0.00 3.66 0.00 -1.86 -3.35 119.26 128.33 1a9c h ALA 190 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 1a9c h ALA 190 Cb 1.06 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1a9c h ALA 190 CO 1.19 0.00 -1.93 0.25 0.00 0.00 0.00 179.25 178.76 1a9c n THR 191 N -2.57 0.77 -1.84 0.00 -2.24 -1.26 -5.04 114.28 102.10 1a9c n THR 191 Ca 0.01 -0.56 -0.35 0.00 -2.27 0.00 0.00 64.05 60.89 1a9c n THR 191 Cb 0.25 -0.44 0.05 0.00 -2.10 0.00 0.00 70.33 68.08 1a9c n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a9c s SER 192 N -4.56 4.97 -0.02 3.42 1.04 -1.26 -5.06 113.70 112.24 1a9c s SER 192 Ca -0.07 2.30 -0.08 0.00 0.48 0.00 0.00 55.95 58.57 1a9c s SER 192 Cb 0.06 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.60 1a9c s SER 192 CO 0.61 -1.73 0.18 0.00 0.98 0.00 0.00 173.24 173.27 1a9c s ALA 193 N -1.84 -0.44 -0.05 5.32 0.00 -1.26 -4.77 121.76 118.72 1a9c s ALA 193 Ca 0.74 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1a9c s ALA 193 Cb -0.28 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1a9c s ALA 193 CO 0.37 -0.19 -0.04 0.99 0.00 0.00 0.00 175.76 176.89 1a9c s THR 194 N -1.06 3.96 -0.10 0.00 2.01 -0.05 -4.93 115.64 115.47 1a9c s THR 194 Ca -0.11 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.44 1a9c s THR 194 Cb -0.06 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.79 1a9c s THR 194 CO 0.02 0.54 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.44 1a9c s THR 195 N -0.90 1.50 0.06 -0.82 2.01 -1.26 -0.79 115.64 115.43 1a9c s THR 195 Ca 0.14 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.54 1a9c s THR 195 Cb -0.11 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 1a9c s THR 195 CO 0.04 0.44 -0.16 0.42 -0.69 0.00 0.00 174.62 174.67 1a9c s THR 196 N 0.78 1.27 -0.02 -0.82 -4.23 -0.18 -4.99 115.64 107.46 1a9c s THR 196 Ca -0.11 -1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 59.16 1a9c s THR 196 Cb -0.16 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.52 1a9c s THR 196 CO 0.02 -0.05 0.08 0.42 -0.54 0.00 0.00 174.62 174.55 1a9c s THR 197 N -1.02 0.04 -0.10 3.99 -4.23 -1.26 -0.58 115.64 112.48 1a9c s THR 197 Ca 0.02 -0.34 -0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1a9c s THR 197 Cb -0.09 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.54 1a9c s THR 197 CO 0.02 -0.19 -0.07 -0.94 -0.54 0.00 0.00 174.62 172.91 1a9c s SER 198 N -0.59 1.95 -0.08 3.99 1.04 0.45 -4.99 113.70 115.47 1a9c s SER 198 Ca -0.07 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.12 1a9c s SER 198 Cb -0.04 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.31 1a9c s SER 198 CO 0.00 -0.11 -0.09 -0.76 0.98 0.00 0.00 173.24 173.27 1a9c s LEU 199 N 1.57 3.04 0.17 2.42 1.43 -1.26 -1.06 118.68 124.99 1a9c s LEU 199 Ca 0.02 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 1a9c s LEU 199 Cb -0.13 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1a9c s LEU 199 CO -0.06 0.32 -0.14 -0.83 0.23 0.00 0.00 176.35 175.87 1a9c s GLY 200 N -0.54 1.26 0.00 -3.19 0.00 0.27 -4.70 107.32 100.43 1a9c s GLY 200 Ca 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1a9c s GLY 200 CO 0.02 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.15 1a9c n GLY 201 N 0.00 2.61 0.40 0.20 0.00 -0.44 -1.86 105.19 106.11 1a9c n GLY 201 Ca -0.11 -0.24 0.22 0.00 0.00 0.00 0.00 46.02 45.89 1a9c n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a9c h LEU 202 N 0.00 0.06 -1.42 0.99 3.38 -1.94 0.58 115.31 116.96 1a9c h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a9c h LEU 202 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1a9c h LEU 202 CO 0.00 0.03 0.00 -0.26 0.09 0.00 0.00 178.44 178.30 1a9c h PHE 203 N 0.07 0.00 0.00 1.13 0.04 -1.64 0.13 116.94 116.66 1a9c h PHE 203 Ca 0.32 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.94 1a9c h PHE 203 Cb 1.18 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.31 1a9c h PHE 203 CO -0.00 0.00 -1.57 1.17 -0.60 0.00 0.00 178.31 177.31 1a9c n LYS 204 N -2.34 0.24 0.25 1.51 4.81 0.10 -4.05 118.16 118.68 1a9c n LYS 204 Ca -0.01 0.07 -0.11 0.00 -0.87 0.00 0.00 58.31 57.39 1a9c n LYS 204 Cb 0.08 -1.14 -0.05 0.00 0.02 0.00 0.00 35.03 33.94 1a9c n LYS 204 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1a9c h SER 205 N -0.07 -0.59 -3.44 3.14 0.02 -1.09 -3.43 113.55 108.09 1a9c h SER 205 Ca -0.23 0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.16 1a9c h SER 205 Cb 1.32 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.95 1a9c h SER 205 CO -0.06 -0.18 0.88 -0.55 -1.14 0.00 0.00 176.83 175.79 1a9c s SER 206 N -4.76 6.81 0.50 3.07 0.15 0.42 -4.89 113.70 115.00 1a9c s SER 206 Ca -0.11 0.85 0.24 0.00 0.70 0.00 0.00 55.95 57.63 1a9c s SER 206 Cb 0.01 -2.55 1.30 0.00 -1.71 0.00 0.00 66.02 63.08 1a9c s SER 206 CO 0.32 -1.03 2.04 -0.61 1.20 0.00 0.00 173.24 175.16 1a9c h GLN 207 N 8.57 0.00 0.36 5.44 4.15 -1.83 0.94 115.11 132.74 1a9c h GLN 207 Ca -0.22 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1a9c h GLN 207 Cb 1.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1a9c h GLN 207 CO 1.07 0.15 -0.17 -0.97 -1.93 0.00 0.00 178.83 176.97 1a9c h ASN 208 N 0.00 -0.41 0.14 -0.69 -1.24 -1.91 -1.92 115.58 109.55 1a9c h ASN 208 Ca -0.00 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 56.89 1a9c h ASN 208 Cb 0.35 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1a9c h ASN 208 CO 0.02 -0.11 -0.07 0.74 -1.29 0.00 0.00 177.43 176.72 1a9c h THR 209 N -0.71 0.92 -0.51 -3.57 2.02 -1.72 -2.58 112.91 106.76 1a9c h THR 209 Ca -0.05 -0.26 0.09 0.00 0.77 0.00 0.00 66.41 66.96 1a9c h THR 209 Cb 0.50 1.09 -0.10 0.00 -1.74 0.00 0.00 68.15 67.89 1a9c h THR 209 CO 0.08 0.06 -0.37 -0.09 0.37 0.00 0.00 175.52 175.57 1a9c h ARG 210 N -0.31 -0.22 -0.04 6.66 2.43 -0.86 -0.92 114.38 121.12 1a9c h ARG 210 Ca -0.02 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1a9c h ARG 210 Cb 0.25 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1a9c h ARG 210 CO 0.03 -0.15 -0.35 0.45 -1.51 0.00 0.00 179.97 178.44 1a9c h HIS 211 N -0.23 0.09 -0.87 2.20 3.86 -1.34 -1.11 115.15 117.75 1a9c h HIS 211 Ca 0.19 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1a9c h HIS 211 Cb 0.56 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 1a9c h HIS 211 CO -0.63 0.42 0.46 0.93 0.86 0.00 0.00 177.93 179.97 1a9c h GLU 212 N 0.07 1.23 0.40 2.45 5.08 -0.78 0.14 114.58 123.16 1a9c h GLU 212 Ca 0.01 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1a9c h GLU 212 Cb 0.66 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1a9c h GLU 212 CO 0.05 0.92 -0.19 0.35 -1.00 0.00 0.00 179.01 179.13 1a9c h PHE 213 N 1.23 -0.49 -0.94 4.33 3.57 -0.91 -2.81 116.94 120.91 1a9c h PHE 213 Ca 0.30 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.96 1a9c h PHE 213 Cb 0.06 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.88 1a9c h PHE 213 CO 0.01 -0.17 0.60 -0.07 -2.23 0.00 0.00 178.31 176.45 1a9c h LEU 214 N -0.97 0.66 -0.77 0.59 3.38 -1.05 0.12 115.31 117.27 1a9c h LEU 214 Ca -0.05 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1a9c h LEU 214 Cb 0.54 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1a9c h LEU 214 CO 0.09 0.29 0.30 -0.09 0.09 0.00 0.00 178.44 179.12 1a9c h ARG 215 N 0.67 1.16 0.00 1.13 2.43 -0.76 -2.73 114.38 116.28 1a9c h ARG 215 Ca 0.50 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1a9c h ARG 215 Cb 0.88 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1a9c h ARG 215 CO -0.26 0.94 -0.13 0.00 -1.51 0.00 0.00 179.97 179.02 1a9c h ALA 216 N 1.16 1.04 -2.90 2.80 0.00 -0.50 -3.45 119.26 117.40 1a9c h ALA 216 Ca 0.26 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 54.52 1a9c h ALA 216 Cb 0.22 -0.02 0.09 0.00 0.00 0.00 0.00 17.79 18.08 1a9c h ALA 216 CO -0.02 0.16 0.66 0.08 0.00 0.00 0.00 179.25 180.14 1a9c s VAL 217 N -3.72 2.47 0.05 0.00 1.01 -0.82 -4.76 120.40 114.63 1a9c s VAL 217 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1a9c s VAL 217 Cb 0.10 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1a9c s VAL 217 CO 0.59 0.09 0.00 -1.14 0.00 0.00 0.00 175.10 174.64 1a9c n ARG 218 N 0.35 -1.29 -3.68 2.72 3.00 -1.26 -5.05 116.66 111.46 1a9c n ARG 218 Ca 0.02 1.24 -0.13 0.00 -0.00 0.00 0.00 57.85 58.98 1a9c n ARG 218 Cb 0.42 -0.98 -0.13 0.00 0.00 0.00 0.00 32.46 31.76 1a9c n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1a9c s HIS 219 N -0.28 -0.41 0.11 -0.14 3.76 -1.26 -5.13 115.29 111.94 1a9c s HIS 219 Ca 0.00 0.94 -0.31 0.00 -0.15 0.00 0.00 55.06 55.54 1a9c s HIS 219 Cb 0.00 -0.00 -0.09 0.00 1.11 0.00 0.00 32.58 33.60 1a9c s HIS 219 CO 0.00 -0.32 1.59 -1.01 -0.85 0.00 0.00 174.74 174.15 1a9c s HIS 220 N 2.08 2.74 0.00 1.40 3.76 -1.26 -4.94 115.29 119.07 1a9c s HIS 220 Ca -0.02 0.50 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1a9c s HIS 220 Cb -0.11 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.66 1a9c s HIS 220 CO -0.09 -3.53 0.00 0.09 -0.85 0.00 0.00 174.74 170.37