#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 4.41 0.79 2.46 1.43 -1.26 -4.92 118.68 120.21 1a9c s LEU 3 Ca 0.00 1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 1a9c s LEU 3 Cb 0.00 -3.48 0.06 0.00 0.03 0.00 0.00 46.19 42.80 1a9c s LEU 3 CO 0.00 0.09 1.09 -0.94 0.23 0.00 0.00 176.35 176.82 1a9c s SER 4 N -1.49 4.53 0.21 2.29 1.04 -1.26 -4.80 113.70 114.22 1a9c s SER 4 Ca 0.40 1.42 -0.09 0.00 0.48 0.00 0.00 55.95 58.17 1a9c s SER 4 Cb -0.18 -2.17 0.26 0.00 0.10 0.00 0.00 66.02 64.03 1a9c s SER 4 CO 0.22 -1.96 1.80 0.11 0.98 0.00 0.00 173.24 174.39 1a9c h LYS 5 N -1.08 0.62 0.13 4.02 1.57 -1.99 -0.83 116.57 119.01 1a9c h LYS 5 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1a9c h LYS 5 Cb 1.26 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1a9c h LYS 5 CO 0.58 0.41 -0.12 0.93 -0.57 0.00 0.00 179.45 180.68 1a9c h GLU 6 N 0.64 -0.26 -0.41 3.15 3.07 -1.97 0.38 114.58 119.18 1a9c h GLU 6 Ca 0.31 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.27 1a9c h GLU 6 Cb 0.24 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.13 1a9c h GLU 6 CO -0.21 -0.17 -0.07 0.00 -1.40 0.00 0.00 179.01 177.16 1a9c h ALA 7 N 0.59 0.31 -0.01 3.43 0.00 -1.77 -0.04 119.26 121.76 1a9c h ALA 7 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1a9c h ALA 7 Cb 0.26 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1a9c h ALA 7 CO -0.03 -0.43 -0.06 0.00 0.00 0.00 0.00 179.25 178.72 1a9c h ALA 8 N 1.40 -0.05 0.10 0.00 0.00 -0.81 -1.31 119.26 118.58 1a9c h ALA 8 Ca 0.20 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1a9c h ALA 8 Cb 0.30 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1a9c h ALA 8 CO -0.40 -0.55 -0.28 -0.07 0.00 0.00 0.00 179.25 177.95 1a9c h LEU 9 N -0.10 -0.81 -0.19 0.00 3.38 -0.11 -1.03 115.31 116.44 1a9c h LEU 9 Ca 0.03 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1a9c h LEU 9 Cb 0.14 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1a9c h LEU 9 CO -0.07 -0.37 -0.04 0.58 0.09 0.00 0.00 178.44 178.63 1a9c h VAL 10 N -0.49 0.82 -0.38 1.22 2.07 -0.97 -0.26 116.25 118.27 1a9c h VAL 10 Ca 0.04 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1a9c h VAL 10 Cb 0.53 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1a9c h VAL 10 CO -0.18 0.00 0.04 -0.74 0.02 0.00 0.00 177.57 176.71 1a9c h HIS 11 N 0.01 0.05 -0.38 1.57 -0.00 -0.98 -0.38 115.15 115.03 1a9c h HIS 11 Ca 0.09 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1a9c h HIS 11 Cb 0.13 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 1a9c h HIS 11 CO -0.20 -0.03 0.21 0.93 -0.00 0.00 0.00 177.93 178.84 1a9c h GLU 12 N 0.15 0.53 -0.35 5.26 5.08 -0.83 -1.38 114.58 123.04 1a9c h GLU 12 Ca 0.18 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1a9c h GLU 12 Cb 0.24 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1a9c h GLU 12 CO -0.28 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.16 1a9c h ALA 13 N 1.07 0.31 0.12 3.43 0.00 -0.31 0.19 119.26 124.08 1a9c h ALA 13 Ca 0.13 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1a9c h ALA 13 Cb 0.05 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1a9c h ALA 13 CO -0.02 -0.40 -0.07 -0.07 0.00 0.00 0.00 179.25 178.69 1a9c h LEU 14 N 0.10 -0.18 -0.71 0.00 3.38 -0.88 -1.57 115.31 115.44 1a9c h LEU 14 Ca 0.17 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1a9c h LEU 14 Cb 0.23 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1a9c h LEU 14 CO -0.28 -0.12 0.39 0.58 0.09 0.00 0.00 178.44 179.10 1a9c h VAL 15 N -0.19 0.93 -0.62 1.22 2.07 -0.71 0.15 116.25 119.10 1a9c h VAL 15 Ca -0.01 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1a9c h VAL 15 Cb 0.16 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1a9c h VAL 15 CO 0.01 0.13 0.38 0.00 0.02 0.00 0.00 177.57 178.11 1a9c h ALA 16 N 1.39 0.80 -0.00 1.67 0.00 -0.31 -1.22 119.26 121.58 1a9c h ALA 16 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1a9c h ALA 16 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1a9c h ALA 16 CO -0.21 0.13 -0.03 0.54 0.00 0.00 0.00 179.25 179.68 1a9c n ARG 17 N -4.72 0.34 -1.92 0.00 3.00 -0.62 -4.90 116.66 107.84 1a9c n ARG 17 Ca 0.06 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.85 57.79 1a9c n ARG 17 Cb 0.07 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.02 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 1.35 0.28 1.09 -0.13 0.00 0.30 -4.92 105.19 103.15 1a9c n GLY 18 Ca 0.12 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.11 3.59 -4.82 0.99 4.77 0.03 -4.99 117.00 115.46 1a9c n LEU 19 Ca -0.09 -2.02 -0.32 0.00 -0.03 0.00 0.00 56.01 53.55 1a9c n LEU 19 Cb 0.50 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1a9c n LEU 19 CO 0.12 0.89 0.71 -1.61 -1.33 0.00 0.00 177.39 176.16 1a9c s GLU 20 N -1.04 3.48 0.23 3.23 0.41 -1.24 -4.77 118.70 119.00 1a9c s GLU 20 Ca 0.39 1.05 -0.30 0.00 -0.41 0.00 0.00 54.97 55.71 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 0.26 -0.67 1.26 0.99 -0.49 0.00 0.00 175.26 176.62 1a9c s THR 21 N -2.66 3.23 -0.53 3.63 2.01 -1.26 -4.87 115.64 115.19 1a9c s THR 21 Ca 0.61 1.07 -0.29 0.00 0.31 0.00 0.00 61.69 63.39 1a9c s THR 21 Cb -0.13 -3.68 -0.11 0.00 0.01 0.00 0.00 72.50 68.59 1a9c s THR 21 CO 0.39 0.19 2.41 -2.65 -0.69 0.00 0.00 174.62 174.27 1a9c n PRO 22 N 2.16 0.95 -4.50 4.92 -0.02 -1.26 -4.93 135.00 132.33 1a9c n PRO 22 Ca 0.04 0.11 -0.21 0.00 -2.02 0.00 0.00 63.50 61.42 1a9c n PRO 22 Cb 0.43 -2.85 -0.14 0.00 -0.02 0.00 0.00 33.50 30.92 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 10.21 2.11 -0.11 2.45 1.43 -1.26 -5.13 118.68 128.39 1a9c s LEU 23 Ca 1.08 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1a9c s LEU 23 Cb -0.54 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1a9c s LEU 23 CO 0.36 0.10 0.03 -0.13 0.23 0.00 0.00 176.35 176.94 1a9c s ARG 24 N -0.82 3.24 0.54 1.70 0.52 -1.26 -5.08 118.95 117.79 1a9c s ARG 24 Ca 0.04 -0.37 -0.21 0.00 -0.52 0.00 0.00 55.73 54.68 1a9c s ARG 24 Cb -0.07 -2.92 -0.07 0.00 0.52 0.00 0.00 34.95 32.42 1a9c s ARG 24 CO 0.01 0.62 1.02 -0.35 0.02 0.00 0.00 175.30 176.62 1a9c n PRO 25 N 2.41 1.14 -1.52 3.54 -0.04 -1.26 -4.69 135.00 134.58 1a9c n PRO 25 Ca -0.18 0.43 -0.27 0.00 -0.04 0.00 0.00 63.50 63.43 1a9c n PRO 25 Cb 0.54 -2.18 -0.13 0.00 -0.04 0.00 0.00 33.50 31.69 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 -0.64 0.35 -0.23 0.54 -0.04 -1.26 -4.76 135.00 128.95 1a9c n PRO 26 Ca 0.12 -0.22 0.15 0.00 -0.04 0.00 0.00 63.50 63.51 1a9c n PRO 26 Cb 0.45 -2.28 0.28 0.00 -0.04 0.00 0.00 33.50 31.91 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 7.31 -0.29 -3.69 0.52 0.31 -1.26 -4.50 118.33 116.74 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 0.27 -2.23 -0.07 0.00 -0.91 0.00 0.00 33.84 30.90 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 -0.25 -1.10 3.52 3.76 -1.26 -5.07 115.29 109.53 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 33.98 1a9c s HIS 28 CO 0.53 -0.52 2.00 -1.21 -0.85 0.00 0.00 174.74 174.69 1a9c s GLU 29 N -2.14 2.19 -0.13 1.40 2.02 -1.26 -4.91 118.70 115.88 1a9c s GLU 29 Ca -0.07 -0.80 -0.07 0.00 0.02 0.00 0.00 54.97 54.05 1a9c s GLU 29 Cb -0.02 -5.14 -0.04 0.00 0.10 0.00 0.00 34.13 29.03 1a9c s GLU 29 CO -0.00 -4.22 0.11 -1.64 0.02 0.00 0.00 175.26 169.53 1a9c s MET 30 N 7.08 3.48 0.47 1.61 -1.94 -1.26 -5.08 119.30 123.66 1a9c s MET 30 Ca 0.72 -0.19 -0.21 0.00 -1.71 0.00 0.00 55.69 54.30 1a9c s MET 30 Cb -0.03 -3.16 -0.08 0.00 2.01 0.00 0.00 34.83 33.57 1a9c s MET 30 CO 0.12 0.69 1.07 -0.51 -0.01 0.00 0.00 175.02 176.38 1a9c s ASP 31 N -0.78 6.31 0.53 3.03 1.11 -1.26 -4.88 116.67 120.73 1a9c s ASP 31 Ca 0.13 2.04 0.19 0.00 0.18 0.00 0.00 52.55 55.09 1a9c s ASP 31 Cb -0.12 -2.57 1.36 0.00 1.07 0.00 0.00 42.92 42.65 1a9c s ASP 31 CO 0.03 -0.81 2.14 0.78 1.18 0.00 0.00 175.17 178.49 1a9c h ASN 32 N 1.76 0.00 -0.36 0.27 4.21 -1.98 -0.64 115.58 118.85 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 0.23 -0.33 -1.29 0.00 0.00 177.43 176.64 1a9c h GLU 33 N 0.00 0.46 -0.21 0.81 5.08 -1.99 0.28 114.58 119.02 1a9c h GLU 33 Ca 0.04 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.19 1a9c h GLU 33 Cb 0.16 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1a9c h GLU 33 CO -0.00 0.31 -0.59 1.79 -1.00 0.00 0.00 179.01 179.51 1a9c h THR 34 N 0.48 1.31 -0.34 1.13 1.35 -1.53 -1.75 112.91 113.55 1a9c h THR 34 Ca 0.13 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 1a9c h THR 34 Cb -0.05 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 1a9c h THR 34 CO -0.03 0.58 0.22 0.03 -0.25 0.00 0.00 175.52 176.06 1a9c h ARG 35 N 0.51 0.46 0.07 4.72 3.08 -0.77 -0.69 114.38 121.76 1a9c h ARG 35 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1a9c h ARG 35 Cb 1.17 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1a9c h ARG 35 CO 0.12 0.32 -0.06 0.87 -1.07 0.00 0.00 179.97 180.15 1a9c h LYS 36 N 0.45 -0.14 -0.93 0.04 1.57 -0.36 -0.09 116.57 117.12 1a9c h LYS 36 Ca 0.12 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.99 1a9c h LYS 36 Cb -0.02 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 1a9c h LYS 36 CO -0.03 -0.09 0.58 0.66 -0.57 0.00 0.00 179.45 180.00 1a9c h SER 37 N -0.14 0.89 -0.33 0.86 4.64 -1.06 0.33 113.55 118.73 1a9c h SER 37 Ca 0.00 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1a9c h SER 37 Cb 0.14 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1a9c h SER 37 CO -0.01 0.54 0.08 -0.07 -0.87 0.00 0.00 176.83 176.50 1a9c h LEU 38 N 1.01 0.49 -0.42 5.97 3.38 -0.71 0.14 115.31 125.17 1a9c h LEU 38 Ca 0.42 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1a9c h LEU 38 Cb 0.27 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1a9c h LEU 38 CO -0.21 0.59 0.26 0.40 0.09 0.00 0.00 178.44 179.57 1a9c h ILE 39 N 0.37 1.13 -0.96 1.22 2.04 -0.17 -1.40 117.51 119.74 1a9c h ILE 39 Ca 0.10 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.71 1a9c h ILE 39 Cb 0.29 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1a9c h ILE 39 CO 0.00 0.13 0.63 0.00 0.00 0.00 0.00 178.15 178.91 1a9c h ALA 40 N 1.12 1.26 -0.03 1.87 0.00 -0.18 -0.31 119.26 122.99 1a9c h ALA 40 Ca 0.15 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1a9c h ALA 40 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1a9c h ALA 40 CO -0.03 0.53 -0.07 0.78 0.00 0.00 0.00 179.25 180.47 1a9c h GLY 41 N 1.24 -0.05 1.10 0.00 0.00 -0.15 0.20 103.07 105.42 1a9c h GLY 41 Ca 0.37 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1a9c h GLY 41 CO -0.11 -0.08 0.57 0.45 0.00 0.00 0.00 176.54 177.37 1a9c h HIS 42 N -0.11 1.15 -0.67 5.60 -0.00 -0.63 -1.94 115.15 118.56 1a9c h HIS 42 Ca 0.04 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1a9c h HIS 42 Cb 0.16 -0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 27.15 1a9c h HIS 42 CO -0.15 0.74 0.32 0.52 -0.00 0.00 0.00 177.93 179.36 1a9c h MET 43 N 1.23 0.97 -0.31 2.45 2.86 -0.34 -0.50 114.93 121.28 1a9c h MET 43 Ca 0.33 -0.15 0.06 0.00 -2.06 0.00 0.00 59.70 57.88 1a9c h MET 43 Cb -0.10 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.33 1a9c h MET 43 CO -0.07 0.77 -0.04 1.15 1.06 0.00 0.00 176.91 179.78 1a9c h THR 44 N 0.93 0.72 0.07 2.22 2.02 -0.30 0.18 112.91 118.75 1a9c h THR 44 Ca 0.23 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.41 1a9c h THR 44 Cb 0.13 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1a9c h THR 44 CO -0.03 0.01 -0.18 -0.33 0.37 0.00 0.00 175.52 175.36 1a9c h GLU 45 N 0.04 -0.32 -0.54 6.66 4.39 -0.82 -0.45 114.58 123.54 1a9c h GLU 45 Ca 0.15 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.92 1a9c h GLU 45 Cb 0.22 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 1a9c h GLU 45 CO -0.29 -0.22 0.27 0.82 -1.16 0.00 0.00 179.01 178.44 1a9c h ILE 46 N -0.34 0.94 -0.68 3.13 2.04 -0.43 0.17 117.51 122.34 1a9c h ILE 46 Ca 0.03 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1a9c h ILE 46 Cb 0.37 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1a9c h ILE 46 CO -0.12 0.10 0.27 0.24 0.00 0.00 0.00 178.15 178.63 1a9c h MET 47 N 0.52 0.99 -0.53 2.37 2.86 -0.40 -1.71 114.93 119.04 1a9c h MET 47 Ca 0.24 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1a9c h MET 47 Cb 0.16 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1a9c h MET 47 CO -0.18 0.81 -0.02 1.96 1.06 0.00 0.00 176.91 180.54 1a9c h GLN 48 N 0.98 0.92 0.00 1.72 4.20 -0.07 -1.76 115.11 121.10 1a9c h GLN 48 Ca 0.23 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1a9c h GLN 48 Cb 0.19 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1a9c h GLN 48 CO -0.02 0.93 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.88 1a9c h LEU 49 N 0.85 0.00 -0.60 1.46 3.38 -0.31 0.51 115.31 120.59 1a9c h LEU 49 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1a9c h LEU 49 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1a9c h LEU 49 CO 0.03 0.12 -0.00 0.18 0.09 0.00 0.00 178.44 178.85 1a9c n LEU 50 N -3.80 0.94 -1.04 1.67 4.77 -0.71 -4.92 117.00 113.92 1a9c n LEU 50 Ca -0.02 -0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 55.54 1a9c n LEU 50 Cb 0.22 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1a9c n LEU 50 CO 0.31 0.16 -0.12 0.59 -1.33 0.00 0.00 177.39 177.00 1a9c n ASN 51 N -0.27 -3.80 -4.74 -1.43 3.02 0.17 -5.00 115.26 103.21 1a9c n ASN 51 Ca 0.21 0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 54.45 1a9c n ASN 51 Cb 0.27 -2.71 -0.05 0.00 -0.61 0.00 0.00 39.78 36.67 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 -2.76 4.57 -1.10 3.41 1.43 -0.76 -4.96 118.68 118.51 1a9c s LEU 52 Ca 0.00 1.91 -0.21 0.00 -1.03 0.00 0.00 54.13 54.80 1a9c s LEU 52 Cb 0.00 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.68 1a9c s LEU 52 CO 0.00 0.02 1.52 -0.62 0.23 0.00 0.00 176.35 177.50 1a9c s ASP 53 N -0.59 6.60 0.00 2.29 2.15 -1.26 -4.61 116.67 121.25 1a9c s ASP 53 Ca 0.44 -1.75 0.02 0.00 0.43 0.00 0.00 52.55 51.70 1a9c s ASP 53 Cb -0.25 -2.57 0.12 0.00 -0.30 0.00 0.00 42.92 39.92 1a9c s ASP 53 CO 0.32 -1.40 0.78 0.18 -0.17 0.00 0.00 175.17 174.88 1a9c n LEU 54 N 8.69 0.00 -0.01 -1.34 4.77 -1.26 -1.00 117.00 126.85 1a9c n LEU 54 Ca 0.37 0.18 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 1a9c n LEU 54 Cb 0.50 -0.18 0.44 0.00 -2.33 0.00 0.00 43.42 41.85 1a9c n LEU 54 CO 0.69 -0.16 0.71 0.00 -1.33 0.00 0.00 177.39 177.30 1a9c n ALA 55 N -1.18 2.94 -2.17 -1.18 0.00 -1.26 -3.48 120.51 114.18 1a9c n ALA 55 Ca 0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1a9c n ALA 55 Cb 0.01 -1.29 -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 -2.97 6.82 0.34 0.00 2.15 -0.17 -4.86 116.67 117.98 1a9c s ASP 56 Ca 0.13 2.31 0.13 0.00 0.43 0.00 0.00 52.55 55.55 1a9c s ASP 56 Cb 0.18 -2.58 1.09 0.00 -0.30 0.00 0.00 42.92 41.31 1a9c s ASP 56 CO 0.61 -0.67 1.60 -2.24 -0.17 0.00 0.00 175.17 174.30 1a9c h ASP 57 N 6.96 0.10 0.18 -0.34 2.03 -1.89 0.11 116.42 123.57 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 0.31 0.00 0.00 -0.83 0.00 0.00 39.33 40.02 1a9c h ASP 57 CO 0.87 -0.35 -0.09 -1.28 -1.03 0.00 0.00 179.24 177.37 1a9c h SER 58 N 0.07 -0.20 -0.83 4.15 0.87 -1.95 -3.35 113.55 112.30 1a9c h SER 58 Ca 0.74 0.01 0.20 0.00 -1.23 0.00 0.00 61.79 61.50 1a9c h SER 58 Cb 1.78 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 63.74 1a9c h SER 58 CO -0.78 0.11 0.56 -0.07 -0.53 0.00 0.00 176.83 176.12 1a9c h LEU 59 N -0.74 0.29 -0.94 2.23 3.38 -1.74 -3.08 115.31 114.72 1a9c h LEU 59 Ca -0.02 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.24 1a9c h LEU 59 Cb 0.18 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 40.74 1a9c h LEU 59 CO 0.04 0.13 0.14 -0.03 0.09 0.00 0.00 178.44 178.81 1a9c h MET 60 N 0.30 0.07 -0.21 1.13 4.05 -0.83 -1.45 114.93 118.00 1a9c h MET 60 Ca 0.42 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.83 1a9c h MET 60 Cb 1.18 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1a9c h MET 60 CO -0.12 0.05 0.00 0.39 0.23 0.00 0.00 176.91 177.46 1a9c n GLU 61 N -5.37 2.13 -0.14 0.39 1.02 -1.16 -4.48 120.64 113.02 1a9c n GLU 61 Ca 0.23 -1.69 -0.06 0.00 -0.02 0.00 0.00 57.16 55.63 1a9c n GLU 61 Cb 0.77 -1.46 0.03 0.00 -0.02 0.00 0.00 31.44 30.75 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 3.55 0.98 -0.74 2.62 2.02 -1.42 -0.92 112.91 119.00 1a9c h THR 62 Ca 0.00 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.10 1a9c h THR 62 Cb 0.77 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1a9c h THR 62 CO 0.00 0.08 0.48 -0.65 0.37 0.00 0.00 175.52 175.81 1a9c h PRO 63 N 0.46 0.72 0.14 6.66 0.11 -1.79 0.14 132.00 138.44 1a9c h PRO 63 Ca 0.19 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1a9c h PRO 63 Cb 0.09 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1a9c h PRO 63 CO -0.13 0.48 -0.07 0.45 -0.21 0.00 0.00 178.00 178.52 1a9c h HIS 64 N 0.74 -0.18 -0.95 0.65 3.86 -1.74 -1.66 115.15 115.88 1a9c h HIS 64 Ca 0.32 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.62 1a9c h HIS 64 Cb 0.31 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.76 1a9c h HIS 64 CO -0.00 0.19 0.59 0.00 0.86 0.00 0.00 177.93 179.57 1a9c h ARG 65 N -0.57 0.98 -0.28 2.45 3.08 -0.52 -0.89 114.38 118.63 1a9c h ARG 65 Ca -0.02 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1a9c h ARG 65 Cb 0.44 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1a9c h ARG 65 CO 0.03 0.65 -0.17 0.82 -1.07 0.00 0.00 179.97 180.23 1a9c h ILE 66 N 1.01 1.30 -0.24 2.04 2.04 -0.73 -0.47 117.51 122.47 1a9c h ILE 66 Ca 0.44 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1a9c h ILE 66 Cb 0.31 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1a9c h ILE 66 CO -0.22 0.41 0.16 0.00 0.00 0.00 0.00 178.15 178.50 1a9c h ALA 67 N 0.73 0.31 -0.23 1.87 0.00 -0.78 -0.64 119.26 120.53 1a9c h ALA 67 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1a9c h ALA 67 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1a9c h ALA 67 CO 0.05 -0.21 0.14 -0.22 0.00 0.00 0.00 179.25 179.01 1a9c h LYS 68 N 0.32 0.31 -0.17 0.00 3.64 -1.15 -2.00 116.57 117.52 1a9c h LYS 68 Ca 0.09 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1a9c h LYS 68 Cb -0.02 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1a9c h LYS 68 CO -0.02 0.25 -0.10 1.98 -2.27 0.00 0.00 179.45 179.28 1a9c h MET 69 N 0.28 -0.09 0.65 1.90 4.05 -0.76 0.22 114.93 121.18 1a9c h MET 69 Ca 0.08 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.48 1a9c h MET 69 Cb 0.02 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1a9c h MET 69 CO -0.02 -0.06 -0.32 1.88 0.23 0.00 0.00 176.91 178.62 1a9c h TYR 70 N -0.10 -0.84 0.15 1.39 -1.99 -1.00 0.56 116.97 115.15 1a9c h TYR 70 Ca 0.10 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1a9c h TYR 70 Cb 0.25 0.28 0.00 0.00 2.00 0.00 0.00 36.73 39.26 1a9c h TYR 70 CO -0.25 -0.52 -0.07 0.28 -0.00 0.00 0.00 178.16 177.60 1a9c h VAL 71 N -0.89 0.98 0.07 -2.88 2.07 -1.27 -1.88 116.25 112.45 1a9c h VAL 71 Ca -0.09 -0.63 -0.31 0.00 0.82 0.00 0.00 66.70 66.49 1a9c h VAL 71 Cb 0.68 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1a9c h VAL 71 CO 0.14 0.15 -1.67 0.44 0.02 0.00 0.00 177.57 176.65 1a9c h ASP 72 N -0.51 0.23 0.00 0.57 3.32 -0.68 -3.35 116.42 115.99 1a9c h ASP 72 Ca -0.02 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1a9c h ASP 72 Cb 0.40 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1a9c h ASP 72 CO 0.03 1.35 0.00 -0.62 -1.72 0.00 0.00 179.24 178.28 1a9c n GLU 73 N -3.30 0.00 0.17 3.56 1.02 0.01 -4.49 120.64 117.61 1a9c n GLU 73 Ca -0.19 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.11 1a9c n GLU 73 Cb 1.04 0.00 0.60 0.00 -0.02 0.00 0.00 31.44 33.06 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 0.11 -0.07 -3.67 3.07 -1.25 -0.58 117.51 115.13 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 0.44 0.00 0.00 -0.27 0.00 0.00 36.82 36.99 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 -3.13 0.20 0.28 0.16 3.72 -0.71 -2.71 117.46 115.28 1a9c n PHE 75 Ca 0.05 -0.85 0.16 0.00 -0.05 0.00 0.00 57.45 56.75 1a9c n PHE 75 Cb 0.74 -0.15 0.76 0.00 -0.94 0.00 0.00 39.48 39.88 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 0.46 0.00 0.57 4.37 4.64 -1.07 -2.17 113.55 120.35 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 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1a9c h SER 76 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1a9c n GLY 77 N -0.70 -1.13 0.21 -0.77 0.00 0.23 -2.00 105.19 101.02 1a9c n GLY 77 Ca -0.01 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1a9c n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a9c h LEU 78 N 0.00 0.00 -8.35 0.99 3.38 -1.51 -3.41 115.31 106.41 1a9c h LEU 78 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1a9c h LEU 78 Cb 0.29 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.78 1a9c h LEU 78 CO 0.00 0.00 -0.56 -0.62 0.09 0.00 0.00 178.44 177.35 1a9c s ASP 79 N -5.35 5.48 0.00 -0.43 -1.08 -0.85 -4.95 116.67 109.49 1a9c s ASP 79 Ca 0.05 -0.91 0.06 0.00 -0.52 0.00 0.00 52.55 51.23 1a9c s ASP 79 Cb 0.08 -1.95 0.32 0.00 -1.46 0.00 0.00 42.92 39.91 1a9c s ASP 79 CO 0.55 -0.31 1.00 -1.22 0.52 0.00 0.00 175.17 175.72 1a9c n TYR 80 N 4.92 0.00 0.31 -5.34 4.02 -1.26 -0.80 117.16 119.01 1a9c n TYR 80 Ca -0.13 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.91 1a9c n TYR 80 Cb 0.46 -0.23 0.54 0.00 -0.02 0.00 0.00 39.34 40.09 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 2.30 1.00 -0.42 -0.72 0.00 -1.91 -2.26 119.26 117.24 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 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 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 -2.88 3.01 -4.77 0.00 3.02 0.02 -4.96 115.26 108.69 1a9c n ASN 82 Ca 0.02 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.22 1a9c n ASN 82 Cb 0.34 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.44 2.81 0.72 3.10 5.36 -0.85 -4.96 117.98 122.71 1a9c s PHE 83 Ca 0.38 1.32 -0.14 0.00 -0.96 0.00 0.00 56.93 57.53 1a9c s PHE 83 Cb 0.21 -3.82 0.03 0.00 -0.34 0.00 0.00 43.02 39.11 1a9c s PHE 83 CO 0.29 -2.36 1.14 -1.25 -1.46 0.00 0.00 175.22 171.58 1a9c s PRO 84 N -2.01 2.34 -0.20 10.12 0.04 -1.26 -4.97 135.00 139.06 1a9c s PRO 84 Ca 0.52 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 1a9c s PRO 84 Cb -0.42 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1a9c s PRO 84 CO 0.56 -1.63 1.03 0.15 0.04 0.00 0.00 177.00 177.16 1a9c s LYS 85 N -4.20 4.30 -0.07 4.56 1.02 -1.26 -4.93 119.74 119.17 1a9c s LYS 85 Ca 0.69 1.37 -0.14 0.00 0.02 0.00 0.00 55.97 57.90 1a9c s LYS 85 Cb -0.23 -3.61 -0.05 0.00 -0.52 0.00 0.00 37.83 33.42 1a9c s LYS 85 CO 0.46 -0.55 0.36 0.42 -0.92 0.00 0.00 175.35 175.13 1a9c s ILE 86 N 2.89 5.17 -0.07 2.17 1.09 -1.26 -4.96 121.20 126.23 1a9c s ILE 86 Ca 0.45 0.72 0.02 0.00 -1.10 0.00 0.00 60.65 60.74 1a9c s ILE 86 Cb -0.16 -3.68 0.01 0.00 -1.06 0.00 0.00 42.46 37.58 1a9c s ILE 86 CO 0.09 0.49 -0.12 0.42 -0.10 0.00 0.00 174.94 175.73 1a9c s THR 87 N -0.41 1.14 -0.01 2.92 -4.23 -1.26 -5.10 115.64 108.69 1a9c s THR 87 Ca 0.21 -0.47 0.07 0.00 -1.18 0.00 0.00 61.69 60.32 1a9c s THR 87 Cb -0.15 -1.04 -0.02 0.00 1.34 0.00 0.00 72.50 72.63 1a9c s THR 87 CO 0.10 0.36 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.55 1a9c s LEU 88 N 0.72 2.06 -0.03 4.79 1.43 -1.26 -1.83 118.68 124.56 1a9c s LEU 88 Ca -0.13 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1a9c s LEU 88 Cb -0.16 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1a9c s LEU 88 CO 0.03 0.26 -0.09 0.27 0.23 0.00 0.00 176.35 177.06 1a9c s ILE 89 N -0.57 3.53 0.25 -0.59 -4.36 0.55 -4.94 121.20 115.06 1a9c s ILE 89 Ca 0.09 -0.66 -0.31 0.00 -0.26 0.00 0.00 60.65 59.51 1a9c s ILE 89 Cb -0.09 -2.47 -0.12 0.00 1.25 0.00 0.00 42.46 41.04 1a9c s ILE 89 CO -0.00 0.51 1.65 1.21 0.24 0.00 0.00 174.94 178.55 1a9c n GLU 90 N 1.97 2.71 -1.16 0.37 2.13 -1.26 -0.64 120.64 124.76 1a9c n GLU 90 Ca -0.17 0.97 -0.36 0.00 0.66 0.00 0.00 57.16 58.26 1a9c n GLU 90 Cb 0.53 -2.78 -0.03 0.00 0.27 0.00 0.00 31.44 29.43 1a9c n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1a9c n ASN 91 N 3.00 4.42 0.10 4.31 5.15 -0.41 -4.54 115.26 127.29 1a9c n ASN 91 Ca 0.12 -2.59 -0.05 0.00 -0.60 0.00 0.00 54.58 51.47 1a9c n ASN 91 Cb 0.36 -1.28 0.05 0.00 -0.53 0.00 0.00 39.78 38.38 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 6.62 0.08 0.00 1.20 1.57 -1.89 -2.92 116.57 121.23 1a9c h LYS 92 Ca 0.54 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1a9c h LYS 92 Cb 0.45 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1a9c h LYS 92 CO 1.77 0.81 0.00 -1.33 -0.57 0.00 0.00 179.45 180.13 1a9c n MET 93 N -3.67 0.07 -3.61 3.15 2.81 -1.26 -4.83 117.12 109.78 1a9c n MET 93 Ca -0.02 0.52 -0.22 0.00 -1.81 0.00 0.00 57.70 56.18 1a9c n MET 93 Cb 0.74 -1.71 0.06 0.00 -0.71 0.00 0.00 33.22 31.60 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 -1.86 -6.30 -2.28 0.03 5.02 -1.10 -4.91 118.16 106.75 1a9c n LYS 94 Ca 0.00 0.75 -0.42 0.00 -2.02 0.00 0.00 58.31 56.61 1a9c n LYS 94 Cb 0.05 -5.63 -0.03 0.00 -0.02 0.00 0.00 35.03 29.41 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 3.88 -0.03 -0.18 1.01 -1.26 -4.88 120.40 115.52 1a9c s VAL 95 Ca 0.22 1.22 0.04 0.00 0.00 0.00 0.00 61.98 63.46 1a9c s VAL 95 Cb -0.10 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.55 1a9c s VAL 95 CO 0.77 -0.02 0.96 -0.90 0.00 0.00 0.00 175.10 175.91 1a9c n ASP 96 N 5.59 1.68 -4.50 3.32 5.68 -1.26 -4.43 116.55 122.62 1a9c n ASP 96 Ca 0.13 -2.09 -0.24 0.00 -0.50 0.00 0.00 54.79 52.09 1a9c n ASP 96 Cb 0.44 -0.10 -0.10 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 -1.20 1.79 0.47 0.11 0.41 -1.26 -4.93 118.70 114.09 1a9c s GLU 97 Ca 0.07 -1.68 -0.22 0.00 -0.41 0.00 0.00 54.97 52.73 1a9c s GLU 97 Cb 0.06 -1.86 -0.07 0.00 -1.78 0.00 0.00 34.13 30.48 1a9c s GLU 97 CO 0.01 0.34 1.14 0.00 -0.49 0.00 0.00 175.26 176.26 1a9c s MET 98 N -3.47 3.75 -0.18 1.61 0.23 -1.26 -4.30 119.30 115.68 1a9c s MET 98 Ca 0.30 1.70 -0.04 0.00 -1.03 0.00 0.00 55.69 56.62 1a9c s MET 98 Cb -0.06 -2.35 -0.02 0.00 -1.53 0.00 0.00 34.83 30.87 1a9c s MET 98 CO 0.16 -0.54 -0.04 0.08 -2.03 0.00 0.00 175.02 172.64 1a9c s VAL 99 N -1.61 3.72 -0.12 5.16 1.01 0.60 -4.93 120.40 124.23 1a9c s VAL 99 Ca 0.64 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1a9c s VAL 99 Cb -0.27 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1a9c s VAL 99 CO 0.32 0.47 -0.22 -0.89 0.00 0.00 0.00 175.10 174.78 1a9c s THR 100 N 0.73 2.19 -0.28 3.92 2.01 -1.26 -1.74 115.64 121.20 1a9c s THR 100 Ca -0.02 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 1a9c s THR 100 Cb -0.15 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.51 1a9c s THR 100 CO 0.02 0.55 0.04 -0.69 -0.69 0.00 0.00 174.62 173.85 1a9c s VAL 101 N 0.60 3.65 0.20 3.82 1.01 0.83 -4.99 120.40 125.51 1a9c s VAL 101 Ca -0.12 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.13 1a9c s VAL 101 Cb -0.17 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1a9c s VAL 101 CO 0.03 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.23 1a9c s ARG 102 N 1.44 2.37 -1.24 2.72 1.70 -1.26 -1.32 118.95 123.35 1a9c s ARG 102 Ca 0.02 -1.20 -0.05 0.00 -0.47 0.00 0.00 55.73 54.03 1a9c s ARG 102 Cb -0.17 -2.30 0.01 0.00 -0.57 0.00 0.00 34.95 31.91 1a9c s ARG 102 CO 0.01 0.43 1.07 -0.25 -1.08 0.00 0.00 175.30 175.47 1a9c n ASP 103 N -0.36 -4.49 -4.68 -2.89 8.00 -1.03 -4.95 116.55 106.15 1a9c n ASP 103 Ca -0.09 -0.55 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 1a9c n ASP 103 Cb 0.56 -4.90 -0.03 0.00 -0.02 0.00 0.00 41.12 36.73 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 -3.32 4.12 0.14 0.53 1.01 0.53 -4.81 121.20 119.39 1a9c s ILE 104 Ca 0.33 1.44 -0.31 0.00 0.00 0.00 0.00 60.65 62.11 1a9c s ILE 104 Cb -0.15 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.29 1a9c s ILE 104 CO 0.70 -0.02 1.76 -0.89 0.00 0.00 0.00 174.94 176.49 1a9c s THR 105 N 2.51 2.45 -0.07 2.92 2.01 -1.26 -0.92 115.64 123.28 1a9c s THR 105 Ca 0.58 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.68 1a9c s THR 105 Cb -0.26 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.20 1a9c s THR 105 CO 0.22 0.00 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.93 1a9c s LEU 106 N 2.17 0.66 -0.12 4.42 0.20 -0.33 -4.80 118.68 120.88 1a9c s LEU 106 Ca 0.78 -0.10 -0.00 0.00 0.69 0.00 0.00 54.13 55.50 1a9c s LEU 106 Cb -0.46 -0.47 0.02 0.00 -0.43 0.00 0.00 46.19 44.86 1a9c s LEU 106 CO 0.34 -0.18 -0.09 0.42 -0.29 0.00 0.00 176.35 176.55 1a9c s THR 107 N 1.91 1.16 0.14 3.68 -4.23 -1.26 -0.51 115.64 116.53 1a9c s THR 107 Ca 0.04 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.19 1a9c s THR 107 Cb -0.12 -1.15 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 1a9c s THR 107 CO -0.05 0.39 0.06 -0.24 -0.54 0.00 0.00 174.62 174.24 1a9c n SER 108 N 4.83 0.88 -3.97 3.99 2.88 0.09 -4.46 113.62 117.87 1a9c n SER 108 Ca -0.14 -1.77 -0.20 0.00 -1.33 0.00 0.00 58.87 55.43 1a9c n SER 108 Cb 0.50 0.39 -0.16 0.00 -0.75 0.00 0.00 64.21 64.20 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 -2.13 0.72 0.11 2.46 2.01 -1.25 -1.22 115.64 116.34 1a9c s THR 109 Ca 0.08 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 1a9c s THR 109 Cb 0.00 -0.67 -0.06 0.00 0.01 0.00 0.00 72.50 71.78 1a9c s THR 109 CO 0.06 0.24 1.14 -0.94 -0.69 0.00 0.00 174.62 174.43 1a9c s SER 110 N 0.45 7.17 0.49 3.53 1.04 0.20 0.10 113.70 126.68 1a9c s SER 110 Ca -0.07 2.03 0.28 0.00 0.48 0.00 0.00 55.95 58.67 1a9c s SER 110 Cb -0.11 -2.59 1.11 0.00 0.10 0.00 0.00 66.02 64.53 1a9c s SER 110 CO 0.01 -0.35 1.90 1.05 0.98 0.00 0.00 173.24 176.82 1a9c h GLU 111 N 6.03 0.00 -0.09 4.02 4.11 -1.39 0.39 114.58 127.64 1a9c h GLU 111 Ca -0.43 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.87 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 0.77 0.14 -0.54 0.45 0.07 0.00 0.00 179.01 179.90 1a9c h HIS 112 N 0.00 0.33 0.00 2.06 3.86 -1.91 -3.37 115.15 116.12 1a9c h HIS 112 Ca -0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1a9c h HIS 112 Cb 0.64 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1a9c h HIS 112 CO 0.00 0.75 0.00 0.72 0.86 0.00 0.00 177.93 180.26 1a9c n HIS 113 N -3.93 0.00 -3.68 2.45 8.25 -1.20 -5.02 115.22 112.08 1a9c n HIS 113 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 1a9c n HIS 113 Cb 0.57 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.00 -2.28 -4.45 4.41 3.01 0.14 -5.00 117.46 113.30 1a9c n PHE 114 Ca 0.00 0.92 -0.27 0.00 1.01 0.00 0.00 57.45 59.11 1a9c n PHE 114 Cb 0.19 -4.56 -0.13 0.00 -0.01 0.00 0.00 39.48 34.96 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 -3.44 1.97 0.20 -4.37 1.01 -1.24 -4.84 120.40 109.69 1a9c s VAL 115 Ca 0.30 -1.56 -0.31 0.00 0.00 0.00 0.00 61.98 60.40 1a9c s VAL 115 Cb -0.14 -1.75 -0.16 0.00 0.00 0.00 0.00 36.38 34.34 1a9c s VAL 115 CO 0.78 0.08 1.05 0.41 0.00 0.00 0.00 175.10 177.43 1a9c n THR 116 N 1.20 1.26 -3.96 3.92 -1.04 -1.26 -0.63 114.28 113.77 1a9c n THR 116 Ca -0.18 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 1a9c n THR 116 Cb 0.53 -0.77 -0.16 0.00 -1.82 0.00 0.00 70.33 68.11 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 -0.49 1.46 -0.19 12.58 1.01 -0.36 -0.84 121.20 134.38 1a9c s ILE 117 Ca 0.69 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 1a9c s ILE 117 Cb -0.83 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.06 1a9c s ILE 117 CO 0.55 0.14 -0.14 -0.62 0.00 0.00 0.00 174.94 174.87 1a9c s ASP 118 N 1.47 3.61 0.00 3.58 2.15 -0.42 -0.73 116.67 126.34 1a9c s ASP 118 Ca -0.01 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.44 1a9c s ASP 118 Cb -0.16 -1.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 1a9c s ASP 118 CO -0.08 0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.54 1a9c n GLY 119 N 4.60 2.58 2.86 2.66 0.00 0.33 -0.56 105.19 117.65 1a9c n GLY 119 Ca -0.20 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.81 0.01 0.13 1.61 1.02 0.25 -1.19 119.74 119.76 1a9c s LYS 120 Ca 0.00 0.07 0.05 0.00 0.02 0.00 0.00 55.97 56.11 1a9c s LYS 120 Cb 0.00 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.22 1a9c s LYS 120 CO 0.00 -0.04 0.06 0.00 -0.92 0.00 0.00 175.35 174.45 1a9c s ALA 121 N 0.27 3.42 -0.14 5.17 0.00 -0.09 -1.54 121.76 128.85 1a9c s ALA 121 Ca -0.02 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 1a9c s ALA 121 Cb -0.03 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.87 1a9c s ALA 121 CO -0.01 0.60 -0.04 0.99 0.00 0.00 0.00 175.76 177.30 1a9c s THR 122 N -1.57 0.89 -0.07 0.00 2.01 0.29 -0.35 115.64 116.84 1a9c s THR 122 Ca 0.29 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.93 1a9c s THR 122 Cb -0.11 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 1a9c s THR 122 CO 0.21 0.17 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.40 1a9c s VAL 123 N 1.74 2.35 0.00 3.82 1.01 -0.44 -1.04 120.40 127.85 1a9c s VAL 123 Ca 0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1a9c s VAL 123 Cb -0.14 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1a9c s VAL 123 CO -0.07 0.57 0.04 0.00 0.00 0.00 0.00 175.10 175.64 1a9c s ALA 124 N -0.16 -0.09 0.11 5.51 0.00 -0.78 -0.12 121.76 126.24 1a9c s ALA 124 Ca -0.03 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 1a9c s ALA 124 Cb -0.14 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.08 1a9c s ALA 124 CO 0.04 -0.13 0.43 1.52 0.00 0.00 0.00 175.76 177.61 1a9c s TYR 125 N -0.99 -0.26 -0.32 0.00 1.13 -0.71 -1.08 117.35 115.11 1a9c s TYR 125 Ca -0.11 0.02 -0.06 0.00 -1.41 0.00 0.00 57.07 55.51 1a9c s TYR 125 Cb -0.06 0.29 0.03 0.00 -1.10 0.00 0.00 41.96 41.11 1a9c s TYR 125 CO 0.00 -0.69 0.10 0.42 -2.51 0.00 0.00 175.55 172.86 1a9c s ILE 126 N -3.52 3.82 0.16 -3.49 1.01 -1.03 -0.29 121.20 117.86 1a9c s ILE 126 Ca 0.01 -1.00 -0.34 0.00 0.00 0.00 0.00 60.65 59.32 1a9c s ILE 126 Cb 0.01 -3.10 -0.15 0.00 0.01 0.00 0.00 42.46 39.23 1a9c s ILE 126 CO -0.10 -0.10 1.43 -2.65 0.00 0.00 0.00 174.94 173.52 1a9c n PRO 127 N 4.83 1.75 0.00 2.79 -0.02 -1.26 -4.86 135.00 138.22 1a9c n PRO 127 Ca -0.13 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1a9c n PRO 127 Cb 0.46 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.70 0.00 0.03 -0.52 4.81 -1.26 -4.69 118.16 119.23 1a9c n LYS 128 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.59 1a9c n LYS 128 Cb 0.26 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.22 1a9c n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1a9c n ASP 129 N 0.00 0.84 -4.13 3.14 8.00 -1.26 -4.83 116.55 118.31 1a9c n ASP 129 Ca 0.00 0.37 -0.11 0.00 0.71 0.00 0.00 54.79 55.76 1a9c n ASP 129 Cb 0.00 0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 41.17 1a9c n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a9c s SER 130 N -5.78 0.99 -0.16 -2.24 1.04 -1.26 -1.29 113.70 104.99 1a9c s SER 130 Ca -0.03 -0.88 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 1a9c s SER 130 Cb 0.09 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 1a9c s SER 130 CO 0.81 -0.41 -0.07 -0.69 0.98 0.00 0.00 173.24 173.87 1a9c s VAL 131 N -3.05 3.50 0.31 5.02 1.01 0.19 -4.75 120.40 122.63 1a9c s VAL 131 Ca 0.05 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 1a9c s VAL 131 Cb 0.01 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.78 1a9c s VAL 131 CO -0.04 0.48 0.72 -0.51 0.00 0.00 0.00 175.10 175.76 1a9c s ILE 132 N 0.64 4.69 -0.02 2.22 2.07 -1.26 -0.33 121.20 129.20 1a9c s ILE 132 Ca -0.04 0.93 -0.30 0.00 -1.41 0.00 0.00 60.65 59.83 1a9c s ILE 132 Cb -0.15 -3.62 -0.06 0.00 0.13 0.00 0.00 42.46 38.77 1a9c s ILE 132 CO 0.03 -0.16 1.54 -0.83 -1.91 0.00 0.00 174.94 173.60 1a9c s GLY 133 N -2.25 1.65 0.17 1.50 0.00 -0.76 -4.90 107.32 102.73 1a9c s GLY 133 Ca 0.53 0.93 -0.16 0.00 0.00 0.00 0.00 44.72 46.03 1a9c s GLY 133 CO 0.18 2.79 1.24 1.04 0.00 0.00 0.00 173.10 178.35 1a9c n LEU 134 N 6.19 -0.58 0.15 0.66 4.77 -1.26 -0.11 117.00 126.81 1a9c n LEU 134 Ca 0.15 1.40 0.16 0.00 -0.03 0.00 0.00 56.01 57.70 1a9c n LEU 134 Cb 0.43 -0.30 0.74 0.00 -2.33 0.00 0.00 43.42 41.96 1a9c n LEU 134 CO 0.61 -1.24 1.14 0.77 -1.33 0.00 0.00 177.39 177.34 1a9c h SER 135 N 0.00 0.00 -0.20 -1.43 4.64 -2.00 -1.47 113.55 113.09 1a9c h SER 135 Ca 0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1a9c h SER 135 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1a9c h SER 135 CO -0.79 0.00 0.09 0.11 -0.87 0.00 0.00 176.83 175.37 1a9c h LYS 136 N 0.00 0.34 -0.31 4.77 1.79 -0.89 0.19 116.57 122.47 1a9c h LYS 136 Ca 0.12 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1a9c h LYS 136 Cb 0.56 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1a9c h LYS 136 CO -0.00 0.30 0.10 0.82 -1.08 0.00 0.00 179.45 179.59 1a9c h ILE 137 N 0.35 1.20 0.13 1.86 2.04 -1.34 -0.18 117.51 121.56 1a9c h ILE 137 Ca 0.09 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1a9c h ILE 137 Cb 0.09 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1a9c h ILE 137 CO -0.01 0.21 -0.06 0.78 0.00 0.00 0.00 178.15 179.08 1a9c h ASN 138 N 0.34 -0.14 -0.53 1.72 2.35 -1.35 -1.92 115.58 116.05 1a9c h ASN 138 Ca 0.10 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.90 1a9c h ASN 138 Cb 0.23 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 1a9c h ASN 138 CO -0.00 -0.08 0.24 0.03 -1.65 0.00 0.00 177.43 175.96 1a9c h ARG 139 N -0.19 0.44 -0.55 0.81 3.08 -0.82 -1.00 114.38 116.16 1a9c h ARG 139 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1a9c h ARG 139 Cb 0.15 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1a9c h ARG 139 CO 0.03 0.29 0.30 0.82 -1.07 0.00 0.00 179.97 180.34 1a9c h ILE 140 N 0.46 1.18 0.07 2.04 2.04 -0.88 0.10 117.51 122.52 1a9c h ILE 140 Ca 0.25 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1a9c h ILE 140 Cb 0.21 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1a9c h ILE 140 CO -0.20 0.20 -0.17 0.58 0.00 0.00 0.00 178.15 178.55 1a9c h VAL 141 N 0.74 0.60 -0.68 1.67 2.07 -0.75 -2.01 116.25 117.89 1a9c h VAL 141 Ca 0.19 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.73 1a9c h VAL 141 Cb 0.05 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1a9c h VAL 141 CO -0.03 0.00 0.45 -0.61 0.02 0.00 0.00 177.57 177.40 1a9c h GLN 142 N -0.32 0.87 0.47 1.57 4.15 -0.93 -0.76 115.11 120.16 1a9c h GLN 142 Ca 0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1a9c h GLN 142 Cb 0.35 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1a9c h GLN 142 CO -0.11 0.58 -0.40 0.35 -1.93 0.00 0.00 178.83 177.31 1a9c h PHE 143 N 0.90 -1.08 0.00 3.99 3.57 -0.27 -0.21 116.94 123.84 1a9c h PHE 143 Ca 0.26 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1a9c h PHE 143 Cb -0.07 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1a9c h PHE 143 CO -0.00 -0.57 -0.14 0.74 -2.23 0.00 0.00 178.31 176.11 1a9c h PHE 144 N -0.87 0.00 -0.12 0.41 0.04 -1.23 -2.40 116.94 112.77 1a9c h PHE 144 Ca -0.05 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.59 1a9c h PHE 144 Cb 0.75 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 1a9c h PHE 144 CO -0.18 0.14 -0.52 0.00 -0.60 0.00 0.00 178.31 177.15 1a9c h ALA 145 N 1.86 0.89 0.00 2.45 0.00 -0.47 -3.33 119.26 120.66 1a9c h ALA 145 Ca -0.00 -0.49 -0.58 0.00 0.00 0.00 0.00 54.91 53.84 1a9c h ALA 145 Cb 0.52 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1a9c h ALA 145 CO 0.02 0.67 3.43 1.04 0.00 0.00 0.00 179.25 184.41 1a9c n GLN 146 N -3.95 3.14 -3.49 0.00 1.13 -0.15 -4.15 117.38 109.91 1a9c n GLN 146 Ca -0.02 -1.97 -0.11 0.00 -1.94 0.00 0.00 57.00 52.95 1a9c n GLN 146 Cb 0.56 -2.70 -0.03 0.00 0.11 0.00 0.00 30.24 28.18 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 2.63 1.26 -0.28 -1.09 0.52 -1.10 -0.61 118.95 120.28 1a9c s ARG 147 Ca 0.59 -0.56 -0.29 0.00 -0.52 0.00 0.00 55.73 54.96 1a9c s ARG 147 Cb 0.15 0.56 -0.01 0.00 0.52 0.00 0.00 34.95 36.18 1a9c s ARG 147 CO -0.05 -0.54 1.44 -2.14 0.02 0.00 0.00 175.30 174.02 1a9c s PRO 148 N -3.77 3.84 0.45 3.54 0.02 -1.26 -3.74 135.00 134.07 1a9c s PRO 148 Ca 0.02 1.38 0.06 0.00 0.02 0.00 0.00 61.00 62.49 1a9c s PRO 148 Cb -0.01 -3.95 -0.03 0.00 0.02 0.00 0.00 34.50 30.53 1a9c s PRO 148 CO -0.12 -1.23 0.19 -0.65 -0.33 0.00 0.00 177.00 174.87 1a9c s GLN 149 N 4.44 2.22 -0.14 5.54 -1.52 0.12 -4.60 119.66 125.71 1a9c s GLN 149 Ca 0.63 -1.96 -0.03 0.00 -1.95 0.00 0.00 55.36 52.05 1a9c s GLN 149 Cb -0.20 -1.93 0.05 0.00 -0.22 0.00 0.00 33.01 30.71 1a9c s GLN 149 CO 0.26 -0.24 0.04 0.08 -0.25 0.00 0.00 175.29 175.18 1a9c s VAL 150 N -2.67 0.30 0.32 1.09 1.01 -1.26 -1.16 120.40 118.02 1a9c s VAL 150 Ca 0.35 -0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.22 1a9c s VAL 150 Cb 0.03 -0.72 0.34 0.00 0.00 0.00 0.00 36.38 36.03 1a9c s VAL 150 CO 0.19 -0.06 1.63 -0.61 0.00 0.00 0.00 175.10 176.25 1a9c h GLN 151 N 8.32 0.16 -0.83 2.72 4.15 -1.99 0.27 115.11 127.91 1a9c h GLN 151 Ca -0.17 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.32 1a9c h GLN 151 Cb 1.13 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.73 1a9c h GLN 151 CO 0.29 0.11 0.54 0.93 -1.93 0.00 0.00 178.83 178.77 1a9c h GLU 152 N 0.17 0.87 0.10 1.69 3.07 -1.99 -1.89 114.58 116.59 1a9c h GLU 152 Ca 0.66 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 59.30 1a9c h GLU 152 Cb 1.48 -0.20 0.02 0.00 -0.84 0.00 0.00 28.75 29.21 1a9c h GLU 152 CO -0.71 0.57 -0.72 -0.09 -1.40 0.00 0.00 179.01 176.67 1a9c h ARG 153 N 0.89 0.32 -0.58 2.33 2.43 -0.95 -3.23 114.38 115.59 1a9c h ARG 153 Ca 0.37 -0.47 0.12 0.00 -0.81 0.00 0.00 59.98 59.18 1a9c h ARG 153 Cb 0.27 0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.89 1a9c h ARG 153 CO -0.14 1.19 0.04 1.25 -1.51 0.00 0.00 179.97 180.81 1a9c h LEU 154 N -0.32 -0.16 -0.22 3.80 5.85 -0.85 0.87 115.31 124.27 1a9c h LEU 154 Ca -0.12 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1a9c h LEU 154 Cb 1.52 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.74 1a9c h LEU 154 CO 0.14 -0.06 0.06 0.74 -0.34 0.00 0.00 178.44 178.98 1a9c h THR 155 N 0.16 0.93 -0.27 1.05 2.02 -1.46 -1.55 112.91 113.79 1a9c h THR 155 Ca 0.30 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.44 1a9c h THR 155 Cb 0.47 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1a9c h THR 155 CO -0.46 0.03 0.13 1.56 0.37 0.00 0.00 175.52 177.15 1a9c h GLN 156 N 0.16 0.27 -0.17 6.66 1.08 -1.25 -1.51 115.11 120.35 1a9c h GLN 156 Ca 0.10 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1a9c h GLN 156 Cb 0.08 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1a9c h GLN 156 CO -0.11 0.18 0.01 1.96 -0.95 0.00 0.00 178.83 179.92 1a9c h GLN 157 N 0.28 0.07 -0.52 1.46 4.20 -0.60 -1.41 115.11 118.59 1a9c h GLN 157 Ca 0.11 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.85 1a9c h GLN 157 Cb 0.04 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1a9c h GLN 157 CO -0.08 0.05 0.29 0.82 -0.67 0.00 0.00 178.83 179.23 1a9c h ILE 158 N 0.07 1.00 0.03 2.54 2.04 -1.03 -0.18 117.51 121.98 1a9c h ILE 158 Ca 0.08 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1a9c h ILE 158 Cb 0.09 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1a9c h ILE 158 CO -0.12 0.10 -0.20 0.25 0.00 0.00 0.00 178.15 178.18 1a9c h LEU 159 N 0.57 -0.59 -0.26 1.44 5.85 -0.82 -1.82 115.31 119.68 1a9c h LEU 159 Ca 0.22 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1a9c h LEU 159 Cb 0.09 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1a9c h LEU 159 CO -0.13 -0.28 0.12 0.40 -0.34 0.00 0.00 178.44 178.22 1a9c h ILE 160 N -0.35 1.15 -0.59 4.05 2.04 -0.98 -0.69 117.51 122.15 1a9c h ILE 160 Ca 0.05 -0.42 0.10 0.00 1.00 0.00 0.00 64.86 65.59 1a9c h ILE 160 Cb 0.40 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 37.36 1a9c h ILE 160 CO -0.17 0.15 0.16 0.00 0.00 0.00 0.00 178.15 178.29 1a9c h ALA 161 N 0.98 0.72 -0.28 1.87 0.00 -0.86 -0.35 119.26 121.33 1a9c h ALA 161 Ca 0.09 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1a9c h ALA 161 Cb 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1a9c h ALA 161 CO -0.01 -0.27 -0.10 -0.07 0.00 0.00 0.00 179.25 178.80 1a9c h LEU 162 N 0.31 0.57 -1.01 0.00 3.38 -1.11 -1.47 115.31 115.97 1a9c h LEU 162 Ca 0.30 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1a9c h LEU 162 Cb 0.42 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1a9c h LEU 162 CO -0.36 0.83 0.65 1.56 0.09 0.00 0.00 178.44 181.21 1a9c h GLN 163 N 0.30 1.12 0.59 1.13 4.20 -0.54 0.60 115.11 122.52 1a9c h GLN 163 Ca 0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1a9c h GLN 163 Cb 0.60 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 28.13 1a9c h GLN 163 CO 0.03 0.74 -0.29 1.15 -0.67 0.00 0.00 178.83 179.80 1a9c h THR 164 N 1.15 0.29 -0.90 -0.54 2.02 -0.89 -1.18 112.91 112.86 1a9c h THR 164 Ca 0.44 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1a9c h THR 164 Cb 0.22 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1a9c h THR 164 CO -0.19 0.03 0.52 -0.07 0.37 0.00 0.00 175.52 176.19 1a9c h LEU 165 N -1.02 1.10 0.00 2.58 3.38 -1.02 -2.97 115.31 117.35 1a9c h LEU 165 Ca -0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1a9c h LEU 165 Cb 0.67 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1a9c h LEU 165 CO 0.13 0.86 -0.13 -0.07 0.09 0.00 0.00 178.44 179.32 1a9c h LEU 166 N 1.24 0.00 0.36 1.67 3.38 -0.93 -3.48 115.31 117.55 1a9c h LEU 166 Ca 0.32 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 58.04 1a9c h LEU 166 Cb -0.02 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.76 1a9c h LEU 166 CO -0.06 0.01 -0.34 0.61 0.09 0.00 0.00 178.44 178.76 1a9c n GLY 167 N 1.24 0.01 3.20 0.83 0.00 -0.47 -4.66 105.19 105.33 1a9c n GLY 167 Ca 0.04 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 0.05 -0.71 2.61 2.01 -1.06 -4.89 115.64 110.78 1a9c s THR 168 Ca 0.16 -0.44 0.24 0.00 0.31 0.00 0.00 61.69 61.96 1a9c s THR 168 Cb -0.07 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1a9c s THR 168 CO 0.20 -0.24 1.21 0.59 -0.69 0.00 0.00 174.62 175.69 1a9c n ASN 169 N 1.60 0.63 -4.38 3.53 3.02 -1.26 -4.33 115.26 114.06 1a9c n ASN 169 Ca -0.20 -0.12 -0.36 0.00 -0.03 0.00 0.00 54.58 53.87 1a9c n ASN 169 Cb 0.56 0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 40.16 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 -1.91 3.70 -3.95 6.41 3.02 -1.26 -1.66 115.26 119.61 1a9c n ASN 170 Ca 0.03 -2.78 -0.10 0.00 -0.03 0.00 0.00 54.58 51.70 1a9c n ASN 170 Cb 0.41 -1.66 -0.12 0.00 -0.61 0.00 0.00 39.78 37.81 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 7.31 0.08 -0.04 2.41 1.01 -1.24 -2.48 120.40 127.46 1a9c s VAL 171 Ca 0.60 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1a9c s VAL 171 Cb 0.04 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.22 1a9c s VAL 171 CO 0.10 -0.37 0.11 0.00 0.00 0.00 0.00 175.10 174.94 1a9c s ALA 172 N -1.10 -0.24 -0.04 5.51 0.00 -0.24 -0.12 121.76 125.52 1a9c s ALA 172 Ca -0.12 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.25 1a9c s ALA 172 Cb -0.07 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1a9c s ALA 172 CO -0.01 -0.08 -0.08 0.08 0.00 0.00 0.00 175.76 175.67 1a9c s VAL 173 N 0.38 0.76 -0.03 0.00 1.01 -0.35 -1.86 120.40 120.30 1a9c s VAL 173 Ca -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1a9c s VAL 173 Cb -0.04 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1a9c s VAL 173 CO -0.01 0.25 -0.07 -0.55 0.00 0.00 0.00 175.10 174.72 1a9c s SER 174 N 0.43 1.06 -0.06 3.32 0.15 -0.20 -0.74 113.70 117.66 1a9c s SER 174 Ca -0.07 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.45 1a9c s SER 174 Cb -0.11 -0.37 0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1a9c s SER 174 CO 0.01 0.02 -0.14 -0.63 1.20 0.00 0.00 173.24 173.70 1a9c s ILE 175 N 0.45 1.23 -0.16 6.45 1.01 0.63 -0.55 121.20 130.25 1a9c s ILE 175 Ca -0.07 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1a9c s ILE 175 Cb -0.10 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.27 1a9c s ILE 175 CO 0.01 0.37 -0.18 -0.62 0.00 0.00 0.00 174.94 174.52 1a9c s ASP 176 N 0.48 3.39 0.12 3.58 -1.08 -0.59 -0.85 116.67 121.72 1a9c s ASP 176 Ca -0.12 -0.55 -0.11 0.00 -0.52 0.00 0.00 52.55 51.25 1a9c s ASP 176 Cb -0.15 -1.52 0.01 0.00 -1.46 0.00 0.00 42.92 39.81 1a9c s ASP 176 CO 0.04 0.06 0.29 0.00 0.52 0.00 0.00 175.17 176.07 1a9c s ALA 177 N 0.97 -0.41 -0.18 3.66 0.00 0.19 -0.58 121.76 125.41 1a9c s ALA 177 Ca -0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1a9c s ALA 177 Cb -0.15 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 1a9c s ALA 177 CO -0.04 -0.59 -0.09 0.08 0.00 0.00 0.00 175.76 175.12 1a9c s VAL 178 N -3.87 3.18 -0.30 0.00 1.01 0.27 -0.48 120.40 120.21 1a9c s VAL 178 Ca 0.07 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 1a9c s VAL 178 Cb 0.03 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1a9c s VAL 178 CO -0.09 0.47 0.30 -1.00 0.00 0.00 0.00 175.10 174.78 1a9c s HIS 179 N 1.01 3.23 -1.09 5.22 3.76 -1.26 -1.30 115.29 124.86 1a9c s HIS 179 Ca -0.00 0.13 0.18 0.00 -0.15 0.00 0.00 55.06 55.21 1a9c s HIS 179 Cb -0.15 -2.53 0.80 0.00 1.11 0.00 0.00 32.58 31.82 1a9c s HIS 179 CO -0.01 -0.28 1.58 0.66 -0.85 0.00 0.00 174.74 175.84 1a9c n TYR 180 N 5.23 0.00 1.63 1.40 4.02 -0.02 -1.40 117.16 128.02 1a9c n TYR 180 Ca -0.11 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.87 1a9c n TYR 180 Cb 0.51 -0.46 0.42 0.00 -0.02 0.00 0.00 39.34 39.79 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 -0.25 0.00 -0.08 0.00 0.31 -0.49 -4.64 118.33 113.18 1a9c n VAL 182 Ca 0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.34 1a9c n VAL 182 Cb 0.18 -0.71 -0.08 0.00 -0.91 0.00 0.00 33.84 32.32 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 -0.28 116.57 124.22 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 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1a9c h LYS 183 CO 0.00 0.63 0.00 0.00 -2.27 0.00 0.00 179.45 177.81 1a9c n ALA 184 N -3.19 2.00 -3.82 5.00 0.00 0.21 -4.17 120.51 116.54 1a9c n ALA 184 Ca -0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.19 1a9c n ALA 184 Cb 0.44 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1a9c n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a9c s ARG 185 N -3.09 1.66 7.32 0.00 3.00 -1.24 -4.96 118.95 121.64 1a9c s ARG 185 Ca 0.09 -1.00 0.00 0.00 -1.00 0.00 0.00 55.73 53.83 1a9c s ARG 185 Cb 0.13 0.51 0.00 0.00 0.00 0.00 0.00 34.95 35.59 1a9c s ARG 185 CO 0.45 -0.77 0.00 0.41 0.00 0.00 0.00 175.30 175.39 1a9c n GLY 186 N -0.53 2.35 0.11 8.12 0.00 -1.26 -2.43 105.19 111.55 1a9c n GLY 186 Ca -0.06 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.84 1a9c n GLY 186 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1a9c n ILE 187 N 0.00 0.67 -3.88 -0.61 3.06 -1.26 -4.93 119.36 112.41 1a9c n ILE 187 Ca 0.00 -0.11 -0.25 0.00 -2.50 0.00 0.00 62.75 59.89 1a9c n ILE 187 Cb 0.00 -0.79 -0.01 0.00 0.54 0.00 0.00 39.64 39.39 1a9c n ILE 187 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1a9c n ARG 188 N -2.26 -3.44 -2.77 9.51 1.74 -0.70 -4.90 116.66 113.85 1a9c n ARG 188 Ca 0.04 0.45 -0.43 0.00 -0.77 0.00 0.00 57.85 57.15 1a9c n ARG 188 Cb 0.36 -4.62 -0.04 0.00 -1.02 0.00 0.00 32.46 27.15 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 -4.30 6.37 0.37 0.55 -1.08 -0.20 -4.88 116.67 113.51 1a9c s ASP 189 Ca 0.04 -0.21 0.27 0.00 -0.52 0.00 0.00 52.55 52.13 1a9c s ASP 189 Cb -0.01 -2.47 0.96 0.00 -1.46 0.00 0.00 42.92 39.94 1a9c s ASP 189 CO 0.87 -1.29 1.79 0.00 0.52 0.00 0.00 175.17 177.06 1a9c h ALA 190 N 9.37 1.00 0.00 3.66 0.00 -1.86 -3.36 119.26 128.07 1a9c h ALA 190 Ca -0.26 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 1a9c h ALA 190 Cb 1.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1a9c h ALA 190 CO 1.11 0.00 -1.99 0.25 0.00 0.00 0.00 179.25 178.63 1a9c n THR 191 N -2.65 0.75 -2.06 0.00 -2.24 -1.26 -5.04 114.28 101.79 1a9c n THR 191 Ca 0.03 -0.58 -0.36 0.00 -2.27 0.00 0.00 64.05 60.87 1a9c n THR 191 Cb 0.34 -0.37 0.03 0.00 -2.10 0.00 0.00 70.33 68.23 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 -4.64 5.31 0.01 3.42 1.04 -1.26 -5.06 113.70 112.53 1a9c s SER 192 Ca -0.07 2.31 -0.03 0.00 0.48 0.00 0.00 55.95 58.64 1a9c s SER 192 Cb 0.07 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 1a9c s SER 192 CO 0.66 -1.51 0.05 0.00 0.98 0.00 0.00 173.24 173.42 1a9c s ALA 193 N -1.68 -0.09 -0.08 5.32 0.00 -1.26 -4.77 121.76 119.20 1a9c s ALA 193 Ca 0.76 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1a9c s ALA 193 Cb -0.28 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1a9c s ALA 193 CO 0.32 -0.18 -0.07 0.99 0.00 0.00 0.00 175.76 176.82 1a9c s THR 194 N -1.36 3.64 -0.12 0.00 2.01 0.37 -4.94 115.64 115.24 1a9c s THR 194 Ca -0.15 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1a9c s THR 194 Cb -0.09 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.94 1a9c s THR 194 CO 0.00 0.58 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.44 1a9c s THR 195 N -0.60 1.71 -0.01 -0.82 2.01 -1.26 -0.63 115.64 116.04 1a9c s THR 195 Ca 0.09 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.36 1a9c s THR 195 Cb -0.12 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1a9c s THR 195 CO 0.02 0.48 -0.15 0.42 -0.69 0.00 0.00 174.62 174.70 1a9c s THR 196 N 0.86 1.19 0.02 -0.82 -4.23 -0.03 -4.99 115.64 107.65 1a9c s THR 196 Ca -0.08 -0.67 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 1a9c s THR 196 Cb -0.15 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 1a9c s THR 196 CO -0.01 0.31 -0.05 0.42 -0.54 0.00 0.00 174.62 174.76 1a9c s THR 197 N -0.39 0.36 -0.08 3.99 -4.23 -1.26 -0.27 115.64 113.76 1a9c s THR 197 Ca 0.06 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1a9c s THR 197 Cb -0.06 -0.39 0.02 0.00 1.34 0.00 0.00 72.50 73.41 1a9c s THR 197 CO -0.00 -0.18 -0.07 -0.94 -0.54 0.00 0.00 174.62 172.88 1a9c s SER 198 N -0.87 1.79 -0.09 3.99 1.04 0.08 -5.00 113.70 114.64 1a9c s SER 198 Ca -0.06 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.14 1a9c s SER 198 Cb -0.06 -0.72 -0.02 0.00 0.10 0.00 0.00 66.02 65.32 1a9c s SER 198 CO -0.00 -0.07 -0.12 -0.76 0.98 0.00 0.00 173.24 173.26 1a9c s LEU 199 N 1.31 2.81 0.18 2.42 1.43 -1.26 -1.21 118.68 124.36 1a9c s LEU 199 Ca -0.03 -0.22 0.10 0.00 -1.03 0.00 0.00 54.13 52.95 1a9c s LEU 199 Cb -0.14 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1a9c s LEU 199 CO -0.03 0.27 -0.22 -0.83 0.23 0.00 0.00 176.35 175.76 1a9c s GLY 200 N -0.24 1.59 0.00 -3.19 0.00 0.82 -4.67 107.32 101.63 1a9c s GLY 200 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1a9c s GLY 200 CO 0.03 -1.59 0.00 0.61 0.00 0.00 0.00 173.10 172.15 1a9c n GLY 201 N 0.37 2.87 0.39 0.20 0.00 -0.66 -1.94 105.19 106.42 1a9c n GLY 201 Ca -0.14 -0.14 0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 0.23 -1.72 0.99 3.38 -1.94 0.73 115.31 116.98 1a9c h LEU 202 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1a9c h LEU 202 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1a9c h LEU 202 CO 0.00 0.12 0.00 -0.26 0.09 0.00 0.00 178.44 178.39 1a9c h PHE 203 N 0.25 0.00 0.00 1.13 0.04 -1.66 0.25 116.94 116.95 1a9c h PHE 203 Ca 0.34 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.93 1a9c h PHE 203 Cb 1.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.12 1a9c h PHE 203 CO -0.00 0.00 -1.68 1.17 -0.60 0.00 0.00 178.31 177.20 1a9c n LYS 204 N -2.47 0.28 0.22 1.51 4.81 0.10 -4.03 118.16 118.58 1a9c n LYS 204 Ca -0.01 0.09 -0.13 0.00 -0.87 0.00 0.00 58.31 57.38 1a9c n LYS 204 Cb 0.07 -1.12 -0.07 0.00 0.02 0.00 0.00 35.03 33.92 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 -0.17 -0.50 -3.38 3.14 0.02 -0.88 -3.43 113.55 108.36 1a9c h SER 205 Ca -0.28 -0.10 -0.58 0.00 -0.84 0.00 0.00 61.79 59.99 1a9c h SER 205 Cb 1.36 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.95 1a9c h SER 205 CO -0.10 -0.10 0.73 -0.55 -1.14 0.00 0.00 176.83 175.67 1a9c s SER 206 N -4.89 6.83 0.45 3.07 0.15 0.86 -4.90 113.70 115.26 1a9c s SER 206 Ca -0.13 0.88 0.19 0.00 0.70 0.00 0.00 55.95 57.59 1a9c s SER 206 Cb 0.02 -2.51 1.06 0.00 -1.71 0.00 0.00 66.02 62.88 1a9c s SER 206 CO 0.45 -0.84 1.95 -0.61 1.20 0.00 0.00 173.24 175.39 1a9c h GLN 207 N 8.20 0.00 0.54 5.44 4.15 -1.83 0.74 115.11 132.36 1a9c h GLN 207 Ca -0.22 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.18 1a9c h GLN 207 Cb 1.07 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.76 1a9c h GLN 207 CO 1.00 0.23 -0.26 -0.97 -1.93 0.00 0.00 178.83 176.90 1a9c h ASN 208 N 0.00 -0.62 0.17 -0.69 -1.24 -1.91 -1.46 115.58 109.83 1a9c h ASN 208 Ca -0.00 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 1a9c h ASN 208 Cb 0.48 0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.69 1a9c h ASN 208 CO 0.03 -0.34 -0.08 0.74 -1.29 0.00 0.00 177.43 176.49 1a9c h THR 209 N -0.88 0.86 -0.56 -3.57 2.02 -1.75 -2.51 112.91 106.51 1a9c h THR 209 Ca -0.07 -0.09 0.10 0.00 0.77 0.00 0.00 66.41 67.11 1a9c h THR 209 Cb 0.62 0.91 -0.11 0.00 -1.74 0.00 0.00 68.15 67.83 1a9c h THR 209 CO 0.12 0.02 -0.34 -0.09 0.37 0.00 0.00 175.52 175.60 1a9c h ARG 210 N -0.27 -0.17 -0.01 6.66 2.43 -0.86 -0.91 114.38 121.25 1a9c h ARG 210 Ca -0.02 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1a9c h ARG 210 Cb 0.21 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1a9c h ARG 210 CO 0.04 -0.12 -0.44 0.45 -1.51 0.00 0.00 179.97 178.39 1a9c h HIS 211 N -0.18 0.04 -0.74 2.20 3.86 -1.22 -1.18 115.15 117.92 1a9c h HIS 211 Ca 0.22 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1a9c h HIS 211 Cb 0.55 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 1a9c h HIS 211 CO -0.63 0.46 0.36 0.93 0.86 0.00 0.00 177.93 179.91 1a9c h GLU 212 N 0.03 1.07 0.35 2.45 5.08 -0.74 0.47 114.58 123.29 1a9c h GLU 212 Ca -0.00 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1a9c h GLU 212 Cb 0.79 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1a9c h GLU 212 CO 0.06 0.84 -0.17 0.35 -1.00 0.00 0.00 179.01 179.09 1a9c h PHE 213 N 1.04 -0.44 -0.79 4.33 3.57 -1.01 -2.69 116.94 120.96 1a9c h PHE 213 Ca 0.26 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.87 1a9c h PHE 213 Cb 0.12 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 38.92 1a9c h PHE 213 CO 0.01 -0.10 0.39 -0.07 -2.23 0.00 0.00 178.31 176.31 1a9c h LEU 214 N -0.84 0.48 -1.14 0.59 3.38 -1.11 0.56 115.31 117.22 1a9c h LEU 214 Ca -0.05 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1a9c h LEU 214 Cb 0.53 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1a9c h LEU 214 CO 0.08 0.24 0.59 -0.09 0.09 0.00 0.00 178.44 179.34 1a9c h ARG 215 N 0.61 1.06 0.00 1.13 2.43 -0.93 -1.76 114.38 116.92 1a9c h ARG 215 Ca 0.41 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1a9c h ARG 215 Cb 0.52 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1a9c h ARG 215 CO -0.32 0.70 -0.06 0.00 -1.51 0.00 0.00 179.97 178.78 1a9c h ALA 216 N 1.49 1.01 -2.87 2.80 0.00 -0.56 -3.45 119.26 117.67 1a9c h ALA 216 Ca 0.37 -0.05 -0.52 0.00 0.00 0.00 0.00 54.91 54.70 1a9c h ALA 216 Cb 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 17.93 1a9c h ALA 216 CO -0.12 0.07 0.62 0.08 0.00 0.00 0.00 179.25 179.91 1a9c s VAL 217 N -3.62 2.68 0.05 0.00 1.01 -0.66 -4.77 120.40 115.09 1a9c s VAL 217 Ca 0.02 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1a9c s VAL 217 Cb 0.09 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1a9c s VAL 217 CO 0.58 0.12 0.00 -1.14 0.00 0.00 0.00 175.10 174.66 1a9c n ARG 218 N 0.40 -1.45 -3.69 2.72 3.00 -1.26 -5.04 116.66 111.34 1a9c n ARG 218 Ca 0.02 1.40 -0.15 0.00 -0.00 0.00 0.00 57.85 59.12 1a9c n ARG 218 Cb 0.43 -1.14 -0.15 0.00 0.00 0.00 0.00 32.46 31.60 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 -0.14 -0.25 0.11 -0.14 3.76 -1.26 -5.13 115.29 112.24 1a9c s HIS 219 Ca 0.00 0.68 -0.31 0.00 -0.15 0.00 0.00 55.06 55.28 1a9c s HIS 219 Cb 0.00 -0.14 -0.09 0.00 1.11 0.00 0.00 32.58 33.47 1a9c s HIS 219 CO 0.00 -0.26 1.59 -1.01 -0.85 0.00 0.00 174.74 174.21 1a9c s HIS 220 N 1.95 2.75 0.00 1.40 3.76 -1.26 -4.95 115.29 118.94 1a9c s HIS 220 Ca -0.02 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 1a9c s HIS 220 Cb -0.12 -3.91 0.00 0.00 1.11 0.00 0.00 32.58 29.66 1a9c s HIS 220 CO -0.07 -3.51 0.00 0.09 -0.85 0.00 0.00 174.74 170.40