#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fbx n SER 2 N 0.00 0.00 -4.35 3.54 2.88 -1.26 -5.16 113.62 109.27 1fbx n SER 2 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1fbx n SER 2 Cb 0.00 0.30 -0.10 0.00 -0.75 0.00 0.00 64.21 63.66 1fbx n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1fbx s LEU 3 N -3.81 2.45 0.33 2.46 1.43 -1.26 -4.75 118.68 115.53 1fbx s LEU 3 Ca 0.00 -1.11 0.06 0.00 -1.03 0.00 0.00 54.13 52.05 1fbx s LEU 3 Cb 0.00 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.69 1fbx s LEU 3 CO 0.00 -0.32 0.48 -0.94 0.23 0.00 0.00 176.35 175.79 1fbx s SER 4 N -3.33 6.00 0.05 2.29 1.04 -1.26 -4.97 113.70 113.53 1fbx s SER 4 Ca 0.25 -0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.41 1fbx s SER 4 Cb 0.03 -1.34 -0.07 0.00 0.10 0.00 0.00 66.02 64.74 1fbx s SER 4 CO 0.08 -0.41 1.24 0.11 0.98 0.00 0.00 173.24 175.24 1fbx h LYS 5 N 0.88 -0.33 -0.27 4.02 1.57 -2.01 -0.58 116.57 119.85 1fbx h LYS 5 Ca -0.47 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.39 1fbx h LYS 5 Cb 1.25 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.56 1fbx h LYS 5 CO 0.54 -0.22 -0.48 0.93 -0.57 0.00 0.00 179.45 179.65 1fbx h GLU 6 N -0.34 -0.43 -1.05 3.15 3.07 -1.97 0.16 114.58 117.18 1fbx h GLU 6 Ca -0.00 0.03 0.29 0.00 -0.50 0.00 0.00 59.36 59.18 1fbx h GLU 6 Cb 0.34 0.10 -0.12 0.00 -0.84 0.00 0.00 28.75 28.22 1fbx h GLU 6 CO -0.12 -0.29 0.63 0.00 -1.40 0.00 0.00 179.01 177.84 1fbx h ALA 7 N 0.08 2.05 -0.19 3.43 0.00 -1.87 -0.19 119.26 122.57 1fbx h ALA 7 Ca 0.08 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1fbx h ALA 7 Cb 0.62 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1fbx h ALA 7 CO -0.50 -0.56 -0.34 0.00 0.00 0.00 0.00 179.25 177.84 1fbx h ALA 8 N 1.72 0.30 -0.24 0.00 0.00 0.91 -2.26 119.26 119.69 1fbx h ALA 8 Ca 0.67 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1fbx h ALA 8 Cb 1.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1fbx h ALA 8 CO -0.46 0.36 0.10 -0.07 0.00 0.00 0.00 179.25 179.18 1fbx h LEU 9 N 0.24 0.32 0.38 0.00 3.38 0.36 -1.86 115.31 118.13 1fbx h LEU 9 Ca 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1fbx h LEU 9 Cb 0.94 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1fbx h LEU 9 CO 0.08 0.38 -0.21 0.58 0.09 0.00 0.00 178.44 179.35 1fbx h VAL 10 N 0.24 0.56 -0.87 1.22 2.07 -1.26 0.41 116.25 118.62 1fbx h VAL 10 Ca 0.08 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.75 1fbx h VAL 10 Cb 0.15 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.39 1fbx h VAL 10 CO -0.01 0.00 0.47 -0.74 0.02 0.00 0.00 177.57 177.31 1fbx h HIS 11 N -0.56 0.83 0.10 1.57 -0.00 -1.39 0.44 115.15 116.13 1fbx h HIS 11 Ca -0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1fbx h HIS 11 Cb 0.45 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1fbx h HIS 11 CO -0.08 0.21 -0.05 0.93 -0.00 0.00 0.00 177.93 178.95 1fbx h GLU 12 N 0.67 -0.13 -0.36 5.26 5.08 -0.76 -1.34 114.58 123.01 1fbx h GLU 12 Ca 0.47 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.87 1fbx h GLU 12 Cb 0.65 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1fbx h GLU 12 CO -0.35 0.07 0.24 0.00 -1.00 0.00 0.00 179.01 177.97 1fbx h ALA 13 N 0.57 1.90 -0.01 3.43 0.00 0.85 -0.06 119.26 125.94 1fbx h ALA 13 Ca -0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1fbx h ALA 13 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1fbx h ALA 13 CO 0.02 0.05 -0.88 -0.07 0.00 0.00 0.00 179.25 178.38 1fbx h LEU 14 N 0.35 0.42 -0.09 0.00 3.38 0.11 -3.03 115.31 116.45 1fbx h LEU 14 Ca 0.15 -0.32 -0.19 0.00 0.09 0.00 0.00 57.88 57.60 1fbx h LEU 14 Cb 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1fbx h LEU 14 CO -0.03 1.11 -0.91 0.58 0.09 0.00 0.00 178.44 179.28 1fbx h VAL 15 N 0.19 1.60 0.13 1.22 2.07 -0.27 0.57 116.25 121.77 1fbx h VAL 15 Ca -0.06 -3.16 -0.01 0.00 0.82 0.00 0.00 66.70 64.29 1fbx h VAL 15 Cb 1.50 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 1fbx h VAL 15 CO 0.14 0.89 -0.06 0.00 0.02 0.00 0.00 177.57 178.56 1fbx h ALA 16 N 1.09 -0.17 0.00 1.67 0.00 -1.09 -1.93 119.26 118.83 1fbx h ALA 16 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fbx h ALA 16 Cb 1.66 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1fbx h ALA 16 CO 0.12 -0.56 0.00 0.54 0.00 0.00 0.00 179.25 179.35 1fbx n ARG 17 N -5.13 0.05 -2.61 0.00 3.00 -1.15 -4.89 116.66 105.93 1fbx n ARG 17 Ca -0.08 0.18 -0.07 0.00 -0.01 0.00 0.00 57.85 57.87 1fbx n ARG 17 Cb 0.12 -1.58 0.03 0.00 0.00 0.00 0.00 32.46 31.03 1fbx n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fbx n GLY 18 N 0.67 0.22 0.70 -0.13 0.00 -0.73 -4.96 105.19 100.96 1fbx n GLY 18 Ca 0.05 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.84 1fbx n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fbx n LEU 19 N -2.13 2.48 -4.94 0.99 4.77 0.20 -5.01 117.00 113.37 1fbx n LEU 19 Ca -0.08 -3.64 -0.25 0.00 -0.03 0.00 0.00 56.01 52.01 1fbx n LEU 19 Cb 0.55 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1fbx n LEU 19 CO 0.22 1.28 0.19 -1.61 -1.33 0.00 0.00 177.39 176.14 1fbx s GLU 20 N -2.82 3.50 -0.18 3.23 0.41 -1.19 -4.78 118.70 116.88 1fbx s GLU 20 Ca 0.37 -0.27 -0.29 0.00 -0.41 0.00 0.00 54.97 54.37 1fbx s GLU 20 Cb 0.37 -2.65 -0.02 0.00 -1.78 0.00 0.00 34.13 30.05 1fbx s GLU 20 CO -0.08 0.14 1.46 0.99 -0.49 0.00 0.00 175.26 177.28 1fbx s THR 21 N -2.31 3.93 -0.91 3.63 2.01 -1.26 -4.82 115.64 115.92 1fbx s THR 21 Ca 0.41 1.10 -0.13 0.00 0.31 0.00 0.00 61.69 63.37 1fbx s THR 21 Cb -0.10 -3.82 -0.28 0.00 0.01 0.00 0.00 72.50 68.31 1fbx s THR 21 CO 0.36 -0.22 2.08 -2.65 -0.69 0.00 0.00 174.62 173.49 1fbx n PRO 22 N 7.15 0.00 -4.27 4.92 -0.02 -1.26 -4.88 135.00 136.65 1fbx n PRO 22 Ca 0.16 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.40 1fbx n PRO 22 Cb 0.45 -1.03 -0.08 0.00 -0.02 0.00 0.00 33.50 32.82 1fbx n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1fbx s LEU 23 N 2.13 3.05 -0.02 2.45 1.02 -1.26 -5.15 118.68 120.90 1fbx s LEU 23 Ca 1.21 -0.97 0.05 0.00 0.02 0.00 0.00 54.13 54.43 1fbx s LEU 23 Cb -0.87 -1.43 -0.01 0.00 0.02 0.00 0.00 46.19 43.91 1fbx s LEU 23 CO 0.50 -0.30 -0.16 -0.13 0.02 0.00 0.00 176.35 176.28 1fbx s ARG 24 N -3.77 1.45 -0.02 1.70 0.52 -1.26 -5.10 118.95 112.47 1fbx s ARG 24 Ca 0.36 -0.57 -0.37 0.00 -0.52 0.00 0.00 55.73 54.63 1fbx s ARG 24 Cb 0.00 -1.35 -0.16 0.00 0.52 0.00 0.00 34.95 33.97 1fbx s ARG 24 CO 0.20 0.30 1.52 -2.30 0.02 0.00 0.00 175.30 175.05 1fbx n PRO 25 N 2.87 1.33 0.00 3.54 -0.02 -1.26 -4.70 135.00 136.76 1fbx n PRO 25 Ca -0.16 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1fbx n PRO 25 Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1fbx n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1fbx n PRO 26 N 3.74 0.00 0.00 0.52 -0.02 -1.26 -4.78 135.00 133.20 1fbx n PRO 26 Ca 0.21 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1fbx n PRO 26 Cb 0.19 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1fbx n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1fbx n VAL 27 N -1.03 0.00 -4.29 -1.45 0.31 -1.26 -4.62 118.33 105.98 1fbx n VAL 27 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1fbx n VAL 27 Cb 0.35 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.18 1fbx n VAL 27 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1fbx s HIS 28 N 0.00 2.93 -0.97 3.52 -3.43 -1.26 -5.02 115.29 111.06 1fbx s HIS 28 Ca 0.00 -0.03 -0.26 0.00 -0.80 0.00 0.00 55.06 53.96 1fbx s HIS 28 Cb 0.00 -1.57 -0.20 0.00 -1.43 0.00 0.00 32.58 29.38 1fbx s HIS 28 CO 0.00 0.43 2.23 0.39 -2.00 0.00 0.00 174.74 175.79 1fbx n GLU 29 N 1.11 0.27 -3.32 -0.38 1.02 -1.26 -4.91 120.64 113.17 1fbx n GLU 29 Ca -0.14 -1.37 -0.38 0.00 -0.02 0.00 0.00 57.16 55.26 1fbx n GLU 29 Cb 0.52 -3.84 -0.06 0.00 -0.02 0.00 0.00 31.44 28.04 1fbx n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1fbx s MET 30 N 8.70 4.29 0.80 3.49 1.75 -1.26 -5.06 119.30 132.02 1fbx s MET 30 Ca 0.86 0.49 -0.13 0.00 -1.25 0.00 0.00 55.69 55.65 1fbx s MET 30 Cb -0.08 -3.40 0.08 0.00 2.84 0.00 0.00 34.83 34.27 1fbx s MET 30 CO 0.15 0.25 1.21 0.34 -0.65 0.00 0.00 175.02 176.32 1fbx s ASP 31 N 0.31 3.59 -0.07 1.11 2.15 -1.26 -4.89 116.67 117.61 1fbx s ASP 31 Ca 0.26 2.40 -0.25 0.00 0.43 0.00 0.00 52.55 55.39 1fbx s ASP 31 Cb -0.16 -2.59 -0.20 0.00 -0.30 0.00 0.00 42.92 39.67 1fbx s ASP 31 CO 0.12 -2.67 0.98 0.78 -0.17 0.00 0.00 175.17 174.21 1fbx h ASN 32 N -0.85 -0.05 -0.03 -0.34 4.21 -1.99 -2.37 115.58 114.16 1fbx h ASN 32 Ca -0.46 -0.60 0.01 0.00 1.21 0.00 0.00 56.30 56.45 1fbx h ASN 32 Cb 1.30 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.51 1fbx h ASN 32 CO 0.46 0.62 0.14 -0.33 -1.29 0.00 0.00 177.43 177.03 1fbx h GLU 33 N -0.75 0.00 0.04 0.81 5.08 -1.99 0.25 114.58 118.02 1fbx h GLU 33 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1fbx h GLU 33 Cb 0.65 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1fbx h GLU 33 CO 0.01 0.00 -0.62 1.15 -1.00 0.00 0.00 179.01 178.55 1fbx h THR 34 N 0.00 1.47 -0.13 1.13 2.02 -1.92 -2.68 112.91 112.81 1fbx h THR 34 Ca 0.02 -2.21 -0.00 0.00 0.77 0.00 0.00 66.41 64.98 1fbx h THR 34 Cb 0.29 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.51 1fbx h THR 34 CO -0.00 0.63 0.06 0.03 0.37 0.00 0.00 175.52 176.61 1fbx h ARG 35 N -0.24 0.18 -0.26 6.66 3.08 -0.10 0.82 114.38 124.53 1fbx h ARG 35 Ca -0.09 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 59.99 1fbx h ARG 35 Cb 1.38 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.34 1fbx h ARG 35 CO 0.12 0.24 -0.13 0.87 -1.07 0.00 0.00 179.97 180.01 1fbx h LYS 36 N 0.08 -0.09 0.00 0.04 1.57 -0.86 -0.17 116.57 117.13 1fbx h LYS 36 Ca 0.04 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1fbx h LYS 36 Cb 0.12 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1fbx h LYS 36 CO -0.01 -0.06 -0.24 0.66 -0.57 0.00 0.00 179.45 179.24 1fbx h SER 37 N -0.10 0.00 1.13 0.86 4.64 -1.37 0.17 113.55 118.88 1fbx h SER 37 Ca 0.14 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.37 1fbx h SER 37 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1fbx h SER 37 CO -0.32 0.24 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.36 1fbx h LEU 38 N 0.00 0.00 0.19 5.97 3.38 -0.06 -1.86 115.31 122.93 1fbx h LEU 38 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1fbx h LEU 38 Cb 0.85 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.61 1fbx h LEU 38 CO 0.03 0.44 -1.74 0.40 0.09 0.00 0.00 178.44 177.66 1fbx h ILE 39 N 0.00 0.94 -0.54 1.22 2.04 -0.75 -3.22 117.51 117.20 1fbx h ILE 39 Ca -0.00 -2.51 0.08 0.00 1.00 0.00 0.00 64.86 63.43 1fbx h ILE 39 Cb 1.12 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 39.94 1fbx h ILE 39 CO 0.06 0.85 0.36 0.00 0.00 0.00 0.00 178.15 179.42 1fbx h ALA 40 N 0.10 1.99 -0.46 1.87 0.00 -0.64 0.18 119.26 122.31 1fbx h ALA 40 Ca -0.34 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1fbx h ALA 40 Cb 2.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1fbx h ALA 40 CO 0.18 -0.11 -0.18 0.78 0.00 0.00 0.00 179.25 179.92 1fbx h GLY 41 N 0.39 1.02 1.79 0.00 0.00 -1.38 -2.33 103.07 102.56 1fbx h GLY 41 Ca 0.24 -0.89 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 1fbx h GLY 41 CO -0.06 0.81 -0.34 0.45 0.00 0.00 0.00 176.54 177.40 1fbx h HIS 42 N 0.78 0.27 0.05 5.60 -0.00 -1.04 -2.49 115.15 118.33 1fbx h HIS 42 Ca 0.11 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1fbx h HIS 42 Cb 0.75 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 1fbx h HIS 42 CO 0.05 0.55 -0.02 0.52 -0.00 0.00 0.00 177.93 179.03 1fbx h MET 43 N 0.21 -0.07 -0.88 2.45 2.86 -1.01 -2.03 114.93 116.47 1fbx h MET 43 Ca 0.03 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.91 1fbx h MET 43 Cb 0.70 0.01 -0.14 0.00 0.06 0.00 0.00 31.60 32.23 1fbx h MET 43 CO 0.05 0.24 0.25 1.15 1.06 0.00 0.00 176.91 179.66 1fbx h THR 44 N -0.37 0.32 -0.25 2.22 2.02 -1.19 0.37 112.91 116.02 1fbx h THR 44 Ca -0.01 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1fbx h THR 44 Cb 0.33 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1fbx h THR 44 CO 0.01 0.04 0.08 -0.33 0.37 0.00 0.00 175.52 175.69 1fbx h GLU 45 N 0.21 0.39 -0.69 6.66 4.39 -1.22 -2.65 114.58 121.67 1fbx h GLU 45 Ca 0.56 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 60.12 1fbx h GLU 45 Cb 1.13 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 1fbx h GLU 45 CO -0.65 0.47 0.23 0.82 -1.16 0.00 0.00 179.01 178.72 1fbx h ILE 46 N 0.24 1.25 0.00 3.13 2.04 0.03 -2.30 117.51 121.89 1fbx h ILE 46 Ca 0.08 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1fbx h ILE 46 Cb 0.24 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1fbx h ILE 46 CO -0.00 0.33 -0.00 0.24 0.00 0.00 0.00 178.15 178.72 1fbx h MET 47 N 1.00 0.00 0.00 2.37 2.86 -0.34 -0.98 114.93 119.85 1fbx h MET 47 Ca 0.22 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1fbx h MET 47 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1fbx h MET 47 CO -0.01 0.00 -0.98 1.96 1.06 0.00 0.00 176.91 178.94 1fbx h GLN 48 N 0.00 0.00 0.00 1.72 4.20 -1.08 -2.64 115.11 117.32 1fbx h GLN 48 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1fbx h GLN 48 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1fbx h GLN 48 CO 0.00 0.09 0.00 1.28 -0.67 0.00 0.00 178.83 179.53 1fbx n LEU 49 N -2.80 0.00 0.02 1.46 4.77 -0.40 -2.26 117.00 117.79 1fbx n LEU 49 Ca -0.02 0.44 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 1fbx n LEU 49 Cb 0.63 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1fbx n LEU 49 CO 0.40 -0.04 -0.36 0.18 -1.33 0.00 0.00 177.39 176.24 1fbx n LEU 50 N -1.44 0.41 0.00 2.23 4.77 -1.01 -4.98 117.00 116.97 1fbx n LEU 50 Ca 0.08 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1fbx n LEU 50 Cb 0.29 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1fbx n LEU 50 CO 0.24 0.01 0.00 0.59 -1.33 0.00 0.00 177.39 176.90 1fbx n ASN 51 N -2.16 -2.17 -4.71 -1.43 3.02 -0.96 -5.05 115.26 101.80 1fbx n ASN 51 Ca -0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.12 1fbx n ASN 51 Cb 0.51 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1fbx n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fbx s LEU 52 N 0.00 4.35 -0.55 3.41 1.43 -1.00 -4.96 118.68 121.35 1fbx s LEU 52 Ca 0.00 1.59 -0.27 0.00 -1.03 0.00 0.00 54.13 54.42 1fbx s LEU 52 Cb 0.00 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1fbx s LEU 52 CO 0.00 -0.27 1.73 -0.62 0.23 0.00 0.00 176.35 177.42 1fbx s ASP 53 N 1.00 5.60 0.00 2.29 2.15 -1.26 -4.67 116.67 121.78 1fbx s ASP 53 Ca 0.50 0.47 0.12 0.00 0.43 0.00 0.00 52.55 54.07 1fbx s ASP 53 Cb -0.20 -2.53 0.61 0.00 -0.30 0.00 0.00 42.92 40.50 1fbx s ASP 53 CO 0.25 -2.09 1.26 0.18 -0.17 0.00 0.00 175.17 174.61 1fbx n LEU 54 N 11.50 0.00 0.00 -1.34 4.77 -1.26 -2.40 117.00 128.27 1fbx n LEU 54 Ca 0.18 0.24 0.13 0.00 -0.03 0.00 0.00 56.01 56.54 1fbx n LEU 54 Cb 0.50 -0.24 0.58 0.00 -2.33 0.00 0.00 43.42 41.93 1fbx n LEU 54 CO 0.71 -0.15 0.92 0.00 -1.33 0.00 0.00 177.39 177.54 1fbx n ALA 55 N -1.24 2.23 -1.92 -1.18 0.00 -1.26 -3.42 120.51 113.71 1fbx n ALA 55 Ca 0.06 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 1fbx n ALA 55 Cb 0.09 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 1fbx n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1fbx s ASP 56 N -2.95 6.68 0.00 0.00 2.15 -1.01 -4.82 116.67 116.72 1fbx s ASP 56 Ca 0.14 2.61 0.00 0.00 0.43 0.00 0.00 52.55 55.73 1fbx s ASP 56 Cb 0.17 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1fbx s ASP 56 CO 0.47 -0.69 0.00 -0.90 -0.17 0.00 0.00 175.17 173.88 1fbx n ASP 57 N 2.69 0.00 0.00 -0.34 5.75 -1.26 -2.19 116.55 121.20 1fbx n ASP 57 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1fbx n ASP 57 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1fbx n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1fbx n SER 58 N 0.02 1.88 -0.44 -1.12 2.88 -1.26 -4.80 113.62 110.78 1fbx n SER 58 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1fbx n SER 58 Cb 0.00 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 63.84 1fbx n SER 58 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1fbx n LEU 59 N -1.99 1.50 0.20 2.46 4.77 -0.96 -4.18 117.00 118.80 1fbx n LEU 59 Ca 0.00 -0.48 0.04 0.00 -0.03 0.00 0.00 56.01 55.54 1fbx n LEU 59 Cb 0.24 -0.05 0.41 0.00 -2.33 0.00 0.00 43.42 41.69 1fbx n LEU 59 CO 0.00 0.26 0.78 -0.03 -1.33 0.00 0.00 177.39 177.08 1fbx h MET 60 N 2.14 0.00 -0.01 3.23 4.05 -1.46 -2.96 114.93 119.92 1fbx h MET 60 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1fbx h MET 60 Cb 0.57 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1fbx h MET 60 CO 0.00 0.31 -0.57 0.39 0.23 0.00 0.00 176.91 177.27 1fbx n GLU 61 N -4.16 1.12 -0.29 0.39 -0.58 -1.26 -4.57 120.64 111.30 1fbx n GLU 61 Ca -0.02 -0.71 0.07 0.00 -0.42 0.00 0.00 57.16 56.08 1fbx n GLU 61 Cb 0.35 -1.43 0.29 0.00 -0.57 0.00 0.00 31.44 30.09 1fbx n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1fbx h THR 62 N 1.69 0.98 -0.41 2.62 2.02 -1.73 0.38 112.91 118.47 1fbx h THR 62 Ca 0.00 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.78 1fbx h THR 62 Cb 0.64 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1fbx h THR 62 CO 0.00 0.16 -0.10 -0.65 0.37 0.00 0.00 175.52 175.30 1fbx h PRO 63 N 0.90 0.72 0.00 6.66 0.11 -1.81 0.51 132.00 139.10 1fbx h PRO 63 Ca 0.41 -0.23 -0.11 0.00 0.11 0.00 0.00 66.00 66.18 1fbx h PRO 63 Cb 0.37 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1fbx h PRO 63 CO -0.17 0.80 -0.53 1.25 -0.21 0.00 0.00 178.00 179.14 1fbx h HIS 64 N 0.65 0.00 0.09 0.65 2.76 -1.60 -2.35 115.15 115.36 1fbx h HIS 64 Ca 0.11 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 58.03 1fbx h HIS 64 Cb 0.55 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1fbx h HIS 64 CO 0.03 0.53 -1.17 0.00 -1.30 0.00 0.00 177.93 176.01 1fbx h ARG 65 N 0.00 0.19 -0.01 5.26 3.08 -0.37 -2.91 114.38 119.61 1fbx h ARG 65 Ca -0.01 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 1fbx h ARG 65 Cb 1.03 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 1fbx h ARG 65 CO 0.07 1.15 -0.01 0.82 -1.07 0.00 0.00 179.97 180.93 1fbx h ILE 66 N 0.05 1.36 -0.07 2.04 2.04 -0.88 -2.85 117.51 119.20 1fbx h ILE 66 Ca -0.10 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 64.74 1fbx h ILE 66 Cb 1.91 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 39.99 1fbx h ILE 66 CO 0.18 0.28 -0.29 0.00 0.00 0.00 0.00 178.15 178.32 1fbx h ALA 67 N 0.56 -0.36 -0.63 1.87 0.00 -1.52 0.51 119.26 119.69 1fbx h ALA 67 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1fbx h ALA 67 Cb 0.46 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1fbx h ALA 67 CO 0.00 -0.78 0.41 -0.22 0.00 0.00 0.00 179.25 178.67 1fbx h LYS 68 N -0.40 0.64 -0.17 0.00 3.64 -1.60 -1.62 116.57 117.05 1fbx h LYS 68 Ca 0.08 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1fbx h LYS 68 Cb 0.52 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1fbx h LYS 68 CO -0.29 0.42 -0.37 1.98 -2.27 0.00 0.00 179.45 178.92 1fbx h MET 69 N 0.65 0.55 0.43 1.90 4.05 -1.11 0.22 114.93 121.63 1fbx h MET 69 Ca 0.26 -0.37 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 1fbx h MET 69 Cb 0.21 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1fbx h MET 69 CO -0.08 0.98 -0.22 1.88 0.23 0.00 0.00 176.91 179.70 1fbx h TYR 70 N 0.20 -0.57 0.07 1.39 -1.99 -0.48 0.52 116.97 116.11 1fbx h TYR 70 Ca 0.00 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1fbx h TYR 70 Cb 0.97 0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.90 1fbx h TYR 70 CO 0.10 -0.35 -0.03 0.28 -0.00 0.00 0.00 178.16 178.15 1fbx h VAL 71 N -0.60 1.22 -0.00 -2.88 2.07 -1.36 -2.25 116.25 112.46 1fbx h VAL 71 Ca -0.06 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1fbx h VAL 71 Cb 0.47 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1fbx h VAL 71 CO 0.09 0.29 -0.56 0.47 0.02 0.00 0.00 177.57 177.88 1fbx n ASP 72 N -4.87 0.72 0.00 0.57 8.00 0.77 -3.91 116.55 117.83 1fbx n ASP 72 Ca -0.08 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.89 1fbx n ASP 72 Cb 0.28 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 1fbx n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fbx n GLU 73 N -1.32 0.00 0.09 -1.24 1.02 -0.54 -4.66 120.64 113.99 1fbx n GLU 73 Ca 0.06 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.26 1fbx n GLU 73 Cb 0.34 0.00 0.32 0.00 -0.02 0.00 0.00 31.44 32.08 1fbx n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1fbx n ILE 74 N 0.00 1.40 -0.54 -3.67 -5.35 0.06 -1.13 119.36 110.13 1fbx n ILE 74 Ca 0.00 0.64 0.02 0.00 -0.27 0.00 0.00 62.75 63.13 1fbx n ILE 74 Cb 0.00 -1.64 0.02 0.00 -1.74 0.00 0.00 39.64 36.29 1fbx n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1fbx n PHE 75 N -1.91 0.00 0.07 4.28 3.72 -0.84 -3.28 117.46 119.50 1fbx n PHE 75 Ca -0.01 -0.44 0.04 0.00 -0.05 0.00 0.00 57.45 56.98 1fbx n PHE 75 Cb 0.04 -0.06 0.19 0.00 -0.94 0.00 0.00 39.48 38.72 1fbx n PHE 75 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1fbx n SER 76 N -0.52 0.18 -0.66 4.37 3.41 -0.28 -0.94 113.62 119.18 1fbx n SER 76 Ca 0.03 0.47 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 1fbx n SER 76 Cb 0.40 -0.46 0.37 0.00 -0.26 0.00 0.00 64.21 64.27 1fbx n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fbx n GLY 77 N -1.32 0.38 0.00 5.00 0.00 -0.97 -3.57 105.19 104.72 1fbx n GLY 77 Ca -0.00 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.62 1fbx n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fbx n LEU 78 N 0.60 0.00 -4.14 0.99 4.77 -0.11 -4.49 117.00 114.61 1fbx n LEU 78 Ca 0.17 0.48 -0.36 0.00 -0.03 0.00 0.00 56.01 56.27 1fbx n LEU 78 Cb 0.44 -0.48 -0.12 0.00 -2.33 0.00 0.00 43.42 40.94 1fbx n LEU 78 CO 0.16 -0.03 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.39 1fbx s ASP 79 N -2.95 5.26 0.00 -1.43 -1.08 -1.23 -4.96 116.67 110.27 1fbx s ASP 79 Ca 0.15 -1.90 0.00 0.00 -0.52 0.00 0.00 52.55 50.27 1fbx s ASP 79 Cb 0.18 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.81 1fbx s ASP 79 CO 0.49 -0.52 0.82 -1.22 0.52 0.00 0.00 175.17 175.26 1fbx n TYR 80 N 4.63 0.00 0.28 -5.34 4.02 -1.26 0.32 117.16 119.81 1fbx n TYR 80 Ca -0.04 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.98 1fbx n TYR 80 Cb 0.42 -0.33 0.83 0.00 -0.02 0.00 0.00 39.34 40.23 1fbx n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fbx h ALA 81 N 1.85 1.65 -0.50 -0.72 0.00 -1.92 -0.64 119.26 118.98 1fbx h ALA 81 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fbx h ALA 81 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1fbx h ALA 81 CO 0.00 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1fbx n ASN 82 N -4.04 3.12 -4.71 0.00 3.02 0.15 -4.97 115.26 107.83 1fbx n ASN 82 Ca -0.03 -2.14 -0.34 0.00 -0.03 0.00 0.00 54.58 52.04 1fbx n ASN 82 Cb 0.09 -0.41 0.11 0.00 -0.61 0.00 0.00 39.78 38.97 1fbx n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1fbx s PHE 83 N -1.51 1.86 0.68 3.10 5.36 -0.25 -4.96 117.98 122.26 1fbx s PHE 83 Ca 0.36 1.62 -0.10 0.00 -0.96 0.00 0.00 56.93 57.85 1fbx s PHE 83 Cb 0.20 -3.55 0.02 0.00 -0.34 0.00 0.00 43.02 39.36 1fbx s PHE 83 CO 0.21 -2.89 1.04 -1.25 -1.46 0.00 0.00 175.22 170.87 1fbx s PRO 84 N -3.94 2.80 -0.29 10.12 0.04 -1.26 -5.01 135.00 137.45 1fbx s PRO 84 Ca 0.76 0.28 -0.23 0.00 0.04 0.00 0.00 61.00 61.85 1fbx s PRO 84 Cb -0.31 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 1fbx s PRO 84 CO 0.48 -0.98 0.77 0.15 0.04 0.00 0.00 177.00 177.45 1fbx s LYS 85 N -5.26 3.99 -0.05 4.56 1.02 -1.26 -4.89 119.74 117.85 1fbx s LYS 85 Ca 0.57 0.60 -0.20 0.00 0.02 0.00 0.00 55.97 56.96 1fbx s LYS 85 Cb -0.11 -3.71 -0.05 0.00 -0.52 0.00 0.00 37.83 33.44 1fbx s LYS 85 CO 0.49 -0.63 0.56 0.42 -0.92 0.00 0.00 175.35 175.28 1fbx s ILE 86 N 2.88 5.02 -0.21 2.17 -1.09 -1.26 -4.97 121.20 123.74 1fbx s ILE 86 Ca 0.32 1.16 0.01 0.00 -2.23 0.00 0.00 60.65 59.91 1fbx s ILE 86 Cb -0.14 -3.90 0.05 0.00 -1.58 0.00 0.00 42.46 36.88 1fbx s ILE 86 CO 0.12 0.38 -0.11 0.42 -1.23 0.00 0.00 174.94 174.51 1fbx s THR 87 N 0.13 1.78 -0.17 2.92 -4.23 -1.26 -5.08 115.64 109.72 1fbx s THR 87 Ca 0.30 -1.15 -0.03 0.00 -1.18 0.00 0.00 61.69 59.63 1fbx s THR 87 Cb -0.17 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 1fbx s THR 87 CO 0.15 0.14 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.56 1fbx s LEU 88 N 1.33 3.06 0.53 4.79 1.43 -1.26 -1.74 118.68 126.81 1fbx s LEU 88 Ca -0.03 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1fbx s LEU 88 Cb -0.17 -1.74 0.06 0.00 0.03 0.00 0.00 46.19 44.37 1fbx s LEU 88 CO -0.08 0.12 0.65 0.27 0.23 0.00 0.00 176.35 177.54 1fbx s ILE 89 N 0.64 2.25 0.32 -0.59 -4.36 -1.12 -4.93 121.20 113.41 1fbx s ILE 89 Ca -0.03 -1.12 -0.24 0.00 -0.26 0.00 0.00 60.65 59.00 1fbx s ILE 89 Cb -0.15 -2.37 -0.10 0.00 1.25 0.00 0.00 42.46 41.10 1fbx s ILE 89 CO 0.02 0.00 0.89 -0.70 0.24 0.00 0.00 174.94 175.40 1fbx s GLU 90 N -4.49 4.44 -1.52 0.37 2.12 -1.26 -2.52 118.70 115.83 1fbx s GLU 90 Ca 0.54 1.18 -0.10 0.00 0.36 0.00 0.00 54.97 56.95 1fbx s GLU 90 Cb -0.06 -2.71 -0.01 0.00 0.26 0.00 0.00 34.13 31.62 1fbx s GLU 90 CO 0.34 0.25 2.65 -1.71 -0.54 0.00 0.00 175.26 176.24 1fbx n ASN 91 N 0.37 7.44 0.17 -1.70 2.85 -0.62 -4.61 115.26 119.15 1fbx n ASN 91 Ca 0.02 -2.76 0.04 0.00 -0.11 0.00 0.00 54.58 51.77 1fbx n ASN 91 Cb 0.51 -1.54 0.24 0.00 1.24 0.00 0.00 39.78 40.24 1fbx n ASN 91 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1fbx h LYS 92 N 5.18 0.00 -0.01 1.20 1.57 -1.92 -2.94 116.57 119.64 1fbx h LYS 92 Ca 0.75 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.53 1fbx h LYS 92 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1fbx h LYS 92 CO 1.74 0.44 0.00 -1.33 -0.57 0.00 0.00 179.45 179.74 1fbx n MET 93 N -3.47 1.06 -3.93 3.15 2.81 -1.26 -4.91 117.12 110.57 1fbx n MET 93 Ca 0.00 -0.09 -0.26 0.00 -1.81 0.00 0.00 57.70 55.54 1fbx n MET 93 Cb 0.58 -1.45 -0.01 0.00 -0.71 0.00 0.00 33.22 31.64 1fbx n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1fbx n LYS 94 N -0.84 -3.82 -2.05 0.03 5.02 -1.11 -4.86 118.16 110.54 1fbx n LYS 94 Ca 0.21 0.46 -0.43 0.00 -2.02 0.00 0.00 58.31 56.54 1fbx n LYS 94 Cb 0.12 -4.82 -0.03 0.00 -0.02 0.00 0.00 35.03 30.29 1fbx n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fbx s VAL 95 N -3.76 3.60 -0.13 -0.18 1.01 -1.26 -4.82 120.40 114.85 1fbx s VAL 95 Ca 0.15 0.68 0.17 0.00 0.00 0.00 0.00 61.98 62.98 1fbx s VAL 95 Cb -0.08 -3.61 0.29 0.00 0.00 0.00 0.00 36.38 32.99 1fbx s VAL 95 CO 0.87 -0.25 1.15 -0.90 0.00 0.00 0.00 175.10 175.98 1fbx n ASP 96 N 8.57 2.13 -4.48 3.32 5.75 -1.26 -4.38 116.55 126.21 1fbx n ASP 96 Ca 0.20 -3.12 -0.24 0.00 -0.01 0.00 0.00 54.79 51.61 1fbx n ASP 96 Cb 0.45 -0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 40.01 1fbx n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1fbx s GLU 97 N -2.75 1.70 0.53 0.11 0.41 -1.26 -4.97 118.70 112.48 1fbx s GLU 97 Ca 0.31 -1.73 -0.20 0.00 -0.41 0.00 0.00 54.97 52.94 1fbx s GLU 97 Cb 0.28 -1.80 -0.06 0.00 -1.78 0.00 0.00 34.13 30.77 1fbx s GLU 97 CO 0.01 0.34 1.13 0.00 -0.49 0.00 0.00 175.26 176.25 1fbx s MET 98 N -3.45 3.42 -0.17 1.61 0.23 -1.26 -4.36 119.30 115.32 1fbx s MET 98 Ca 0.29 1.60 -0.01 0.00 -1.03 0.00 0.00 55.69 56.55 1fbx s MET 98 Cb -0.05 -2.04 -0.00 0.00 -1.53 0.00 0.00 34.83 31.20 1fbx s MET 98 CO 0.15 -0.79 -0.13 0.08 -2.03 0.00 0.00 175.02 172.30 1fbx s VAL 99 N -1.77 2.84 -0.09 5.16 1.01 -0.28 -4.95 120.40 122.32 1fbx s VAL 99 Ca 0.72 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1fbx s VAL 99 Cb -0.24 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1fbx s VAL 99 CO 0.27 0.50 -0.16 -0.89 0.00 0.00 0.00 175.10 174.82 1fbx s THR 100 N 0.96 2.85 -0.22 3.92 2.01 -1.26 -1.82 115.64 122.08 1fbx s THR 100 Ca -0.02 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1fbx s THR 100 Cb -0.15 -2.15 0.04 0.00 0.01 0.00 0.00 72.50 70.25 1fbx s THR 100 CO -0.02 0.55 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.62 1fbx s VAL 101 N -0.06 2.14 0.22 3.82 1.01 0.80 -5.00 120.40 123.32 1fbx s VAL 101 Ca -0.03 -1.24 0.10 0.00 0.00 0.00 0.00 61.98 60.80 1fbx s VAL 101 Cb -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1fbx s VAL 101 CO 0.04 0.28 -0.09 0.00 0.00 0.00 0.00 175.10 175.34 1fbx s ARG 102 N 1.21 2.06 -1.32 2.72 1.70 -1.26 -0.30 118.95 123.77 1fbx s ARG 102 Ca -0.01 -1.38 -0.07 0.00 -0.47 0.00 0.00 55.73 53.80 1fbx s ARG 102 Cb -0.16 -2.10 0.01 0.00 -0.57 0.00 0.00 34.95 32.12 1fbx s ARG 102 CO -0.09 0.40 1.14 -0.25 -1.08 0.00 0.00 175.30 175.42 1fbx n ASP 103 N -0.30 -5.21 -4.71 -2.89 8.00 -1.15 -4.96 116.55 105.33 1fbx n ASP 103 Ca -0.09 -0.56 -0.42 0.00 0.71 0.00 0.00 54.79 54.43 1fbx n ASP 103 Cb 0.57 -5.05 -0.03 0.00 -0.02 0.00 0.00 41.12 36.58 1fbx n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1fbx s ILE 104 N -3.33 4.44 0.23 0.53 1.01 0.70 -4.85 121.20 119.93 1fbx s ILE 104 Ca 0.43 1.76 -0.31 0.00 0.00 0.00 0.00 60.65 62.53 1fbx s ILE 104 Cb -0.19 -4.12 -0.11 0.00 0.01 0.00 0.00 42.46 38.05 1fbx s ILE 104 CO 0.73 0.14 1.56 -0.89 0.00 0.00 0.00 174.94 176.48 1fbx s THR 105 N 1.02 2.40 -0.13 2.92 2.01 -1.26 -1.34 115.64 121.26 1fbx s THR 105 Ca 0.55 0.31 -0.04 0.00 0.31 0.00 0.00 61.69 62.82 1fbx s THR 105 Cb -0.25 -3.20 0.05 0.00 0.01 0.00 0.00 72.50 69.11 1fbx s THR 105 CO 0.29 0.04 0.10 -0.22 -0.69 0.00 0.00 174.62 174.14 1fbx s LEU 106 N 0.27 0.19 -0.17 4.42 0.20 -0.90 -4.83 118.68 117.87 1fbx s LEU 106 Ca 0.66 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 55.21 1fbx s LEU 106 Cb -0.45 -0.09 0.01 0.00 -0.43 0.00 0.00 46.19 45.23 1fbx s LEU 106 CO 0.39 -0.31 -0.18 0.42 -0.29 0.00 0.00 176.35 176.38 1fbx s THR 107 N 2.19 2.29 0.00 3.68 -4.23 -1.26 -0.94 115.64 117.36 1fbx s THR 107 Ca 0.03 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1fbx s THR 107 Cb -0.14 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.73 1fbx s THR 107 CO -0.07 0.53 0.00 -0.24 -0.54 0.00 0.00 174.62 174.29 1fbx n SER 108 N 4.46 0.76 -3.72 3.99 2.88 0.43 -4.49 113.62 117.92 1fbx n SER 108 Ca -0.20 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.22 1fbx n SER 108 Cb 0.51 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.84 1fbx n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1fbx s THR 109 N 0.02 -0.03 0.52 2.46 2.01 -1.26 -1.54 115.64 117.83 1fbx s THR 109 Ca 0.00 0.12 -0.21 0.00 0.31 0.00 0.00 61.69 61.91 1fbx s THR 109 Cb 0.00 -0.47 -0.06 0.00 0.01 0.00 0.00 72.50 71.98 1fbx s THR 109 CO 0.00 0.05 1.16 0.00 -0.69 0.00 0.00 174.62 175.14 1fbx h GLU 111 N 1.45 0.00 0.00 0.00 4.11 -1.05 -0.07 114.58 119.01 1fbx h GLU 111 Ca -0.50 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 1fbx h GLU 111 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1fbx h GLU 111 CO 0.58 0.00 -0.02 0.45 0.07 0.00 0.00 179.01 180.09 1fbx h HIS 112 N 0.00 0.00 0.00 2.06 3.86 -1.91 -3.36 115.15 115.80 1fbx h HIS 112 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1fbx h HIS 112 Cb 0.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.46 1fbx h HIS 112 CO 0.00 0.02 0.00 0.72 0.86 0.00 0.00 177.93 179.53 1fbx n HIS 113 N -3.12 0.00 -3.56 2.45 8.25 -1.25 -5.03 115.22 112.97 1fbx n HIS 113 Ca 0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.26 1fbx n HIS 113 Cb 0.35 0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.54 1fbx n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1fbx n PHE 114 N 0.00 -2.50 -4.34 4.41 3.01 -0.04 -4.99 117.46 113.01 1fbx n PHE 114 Ca 0.00 0.97 -0.26 0.00 1.01 0.00 0.00 57.45 59.16 1fbx n PHE 114 Cb 0.23 -4.95 -0.10 0.00 -0.01 0.00 0.00 39.48 34.65 1fbx n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1fbx s VAL 115 N -3.36 2.92 0.29 -4.37 1.01 -1.23 -4.86 120.40 110.80 1fbx s VAL 115 Ca 0.31 -1.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.17 1fbx s VAL 115 Cb -0.14 -2.44 -0.13 0.00 0.00 0.00 0.00 36.38 33.67 1fbx s VAL 115 CO 0.74 -0.14 1.39 0.41 0.00 0.00 0.00 175.10 177.50 1fbx n THR 116 N 0.02 1.40 -4.77 3.92 -1.04 -1.26 0.38 114.28 112.93 1fbx n THR 116 Ca -0.11 -0.35 -0.30 0.00 -2.04 0.00 0.00 64.05 61.25 1fbx n THR 116 Cb 0.56 -1.59 -0.17 0.00 -1.82 0.00 0.00 70.33 67.31 1fbx n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1fbx s ILE 117 N -0.49 1.76 -0.13 12.58 1.01 -0.59 -1.85 121.20 133.50 1fbx s ILE 117 Ca 0.62 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 1fbx s ILE 117 Cb -0.59 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.35 1fbx s ILE 117 CO 0.55 0.49 -0.05 -0.62 0.00 0.00 0.00 174.94 175.31 1fbx s ASP 118 N 0.69 2.33 0.00 3.58 2.15 -0.39 -0.43 116.67 124.61 1fbx s ASP 118 Ca -0.12 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.45 1fbx s ASP 118 Cb -0.16 -0.77 0.00 0.00 -0.30 0.00 0.00 42.92 41.68 1fbx s ASP 118 CO 0.02 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 1fbx n GLY 119 N 4.97 3.33 2.83 2.66 0.00 -0.12 -0.14 105.19 118.72 1fbx n GLY 119 Ca -0.11 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 1fbx n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fbx s LYS 120 N -0.04 0.01 0.03 1.61 1.02 0.23 -2.11 119.74 120.48 1fbx s LYS 120 Ca 0.00 0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.24 1fbx s LYS 120 Cb 0.00 -0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.08 1fbx s LYS 120 CO 0.00 -0.15 -0.02 0.00 -0.92 0.00 0.00 175.35 174.26 1fbx s ALA 121 N 0.95 3.20 -0.13 5.17 0.00 -0.45 -1.37 121.76 129.13 1fbx s ALA 121 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1fbx s ALA 121 Cb -0.11 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.82 1fbx s ALA 121 CO -0.03 0.65 -0.11 0.99 0.00 0.00 0.00 175.76 177.26 1fbx s THR 122 N -1.13 1.33 -0.03 0.00 2.01 -0.19 -0.21 115.64 117.42 1fbx s THR 122 Ca 0.21 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.79 1fbx s THR 122 Cb -0.11 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1fbx s THR 122 CO 0.12 0.42 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.53 1fbx s VAL 123 N 1.56 1.95 0.01 3.82 1.01 0.59 -1.47 120.40 127.87 1fbx s VAL 123 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1fbx s VAL 123 Cb -0.13 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1fbx s VAL 123 CO -0.09 0.55 -0.02 0.00 0.00 0.00 0.00 175.10 175.54 1fbx s ALA 124 N -0.44 0.12 0.02 5.51 0.00 -0.75 -0.14 121.76 126.08 1fbx s ALA 124 Ca 0.05 -0.27 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1fbx s ALA 124 Cb -0.11 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1fbx s ALA 124 CO 0.00 -0.04 0.25 1.52 0.00 0.00 0.00 175.76 177.50 1fbx s TYR 125 N -0.58 -0.07 -0.31 0.00 1.13 -0.76 0.60 117.35 117.37 1fbx s TYR 125 Ca -0.06 0.00 -0.11 0.00 -1.41 0.00 0.00 57.07 55.49 1fbx s TYR 125 Cb -0.04 0.04 -0.03 0.00 -1.10 0.00 0.00 41.96 40.83 1fbx s TYR 125 CO -0.00 -0.41 0.20 0.42 -2.51 0.00 0.00 175.55 173.24 1fbx s ILE 126 N -1.93 5.13 0.16 -3.49 1.01 0.11 -1.12 121.20 121.06 1fbx s ILE 126 Ca -0.10 -0.09 -0.32 0.00 0.00 0.00 0.00 60.65 60.15 1fbx s ILE 126 Cb -0.04 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.78 1fbx s ILE 126 CO 0.00 0.13 1.76 -2.65 0.00 0.00 0.00 174.94 174.18 1fbx n PRO 127 N 5.06 2.70 0.00 2.79 -0.02 -1.26 -4.81 135.00 139.45 1fbx n PRO 127 Ca -0.14 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1fbx n PRO 127 Cb 0.51 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1fbx n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1fbx n LYS 128 N 4.69 0.00 0.05 -0.52 4.81 -1.26 -4.68 118.16 121.24 1fbx n LYS 128 Ca 0.17 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.42 1fbx n LYS 128 Cb 0.35 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.26 1fbx n LYS 128 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1fbx h ASP 129 N 0.00 0.45 -3.38 3.14 3.32 -1.90 -3.45 116.42 114.60 1fbx h ASP 129 Ca 0.00 -0.73 -0.65 0.00 0.02 0.00 0.00 57.03 55.67 1fbx h ASP 129 Cb 0.00 -0.15 -0.15 0.00 0.22 0.00 0.00 39.33 39.26 1fbx h ASP 129 CO 0.00 1.63 -0.72 -0.94 -1.72 0.00 0.00 179.24 177.49 1fbx s SER 130 N -7.04 4.48 -0.44 6.45 1.04 -1.26 -1.59 113.70 115.34 1fbx s SER 130 Ca -0.14 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 55.93 1fbx s SER 130 Cb 0.06 -0.88 0.12 0.00 0.10 0.00 0.00 66.02 65.43 1fbx s SER 130 CO 0.83 0.16 0.18 -0.69 0.98 0.00 0.00 173.24 174.70 1fbx s VAL 131 N -1.36 2.28 0.65 5.02 1.01 -1.05 -4.77 120.40 122.18 1fbx s VAL 131 Ca 0.23 -2.82 -0.18 0.00 0.00 0.00 0.00 61.98 59.21 1fbx s VAL 131 Cb -0.11 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1fbx s VAL 131 CO 0.15 -0.74 1.18 0.00 0.00 0.00 0.00 175.10 175.70 1fbx n ILE 132 N 3.62 4.46 -1.93 2.22 3.06 -1.26 -2.79 119.36 126.74 1fbx n ILE 132 Ca 0.05 -0.48 -0.41 0.00 -2.50 0.00 0.00 62.75 59.40 1fbx n ILE 132 Cb 0.36 -1.37 -0.02 0.00 0.54 0.00 0.00 39.64 39.16 1fbx n ILE 132 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1fbx s GLY 133 N -1.39 2.53 0.08 4.50 0.00 -0.71 -4.94 107.32 107.39 1fbx s GLY 133 Ca 0.80 1.43 -0.29 0.00 0.00 0.00 0.00 44.72 46.66 1fbx s GLY 133 CO 0.43 2.28 1.46 1.41 0.00 0.00 0.00 173.10 178.68 1fbx h LEU 134 N 4.25 -1.30 -1.68 0.66 3.38 -1.92 -2.27 115.31 116.43 1fbx h LEU 134 Ca -0.48 0.13 0.28 0.00 0.09 0.00 0.00 57.88 57.90 1fbx h LEU 134 Cb 1.22 0.47 -0.07 0.00 0.09 0.00 0.00 40.66 42.38 1fbx h LEU 134 CO 0.73 -0.48 0.71 0.77 0.09 0.00 0.00 178.44 180.25 1fbx h SER 135 N -0.67 0.23 -0.90 -0.43 4.64 -2.01 -1.80 113.55 112.60 1fbx h SER 135 Ca -0.02 0.04 0.12 0.00 -0.47 0.00 0.00 61.79 61.46 1fbx h SER 135 Cb 0.65 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.68 1fbx h SER 135 CO -0.20 0.05 0.58 0.11 -0.87 0.00 0.00 176.83 176.50 1fbx h LYS 136 N 0.21 0.80 -0.06 4.77 1.79 -1.78 -1.67 116.57 120.63 1fbx h LYS 136 Ca 0.54 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.98 1fbx h LYS 136 Cb 1.71 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 32.15 1fbx h LYS 136 CO -0.14 0.53 -0.09 0.82 -1.08 0.00 0.00 179.45 179.49 1fbx h ILE 137 N 0.83 0.75 -0.06 1.86 2.04 -1.40 0.28 117.51 121.80 1fbx h ILE 137 Ca 0.44 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.33 1fbx h ILE 137 Cb 0.53 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1fbx h ILE 137 CO -0.20 0.00 -0.20 0.78 0.00 0.00 0.00 178.15 178.53 1fbx h ASN 138 N -0.13 -0.62 -0.02 1.72 2.35 -1.45 -0.63 115.58 116.81 1fbx h ASN 138 Ca 0.06 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1fbx h ASN 138 Cb 0.21 0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1fbx h ASN 138 CO -0.14 -0.26 -0.02 0.03 -1.65 0.00 0.00 177.43 175.39 1fbx h ARG 139 N -0.30 0.11 -0.19 0.81 3.08 -1.21 0.11 114.38 116.80 1fbx h ARG 139 Ca 0.08 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 1fbx h ARG 139 Cb 0.40 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1fbx h ARG 139 CO -0.23 0.14 -0.38 0.82 -1.07 0.00 0.00 179.97 179.25 1fbx h ILE 140 N 0.11 1.33 -0.46 2.04 2.04 -0.22 -0.98 117.51 121.38 1fbx h ILE 140 Ca 0.03 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 1fbx h ILE 140 Cb 0.11 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1fbx h ILE 140 CO 0.00 0.50 0.19 0.58 0.00 0.00 0.00 178.15 179.42 1fbx h VAL 141 N 0.27 1.20 -0.28 1.67 2.07 -0.24 -2.08 116.25 118.86 1fbx h VAL 141 Ca 0.01 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1fbx h VAL 141 Cb 0.99 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1fbx h VAL 141 CO 0.09 0.23 0.07 1.56 0.02 0.00 0.00 177.57 179.53 1fbx h GLN 142 N 0.60 0.40 -0.11 1.57 1.08 -0.76 -0.77 115.11 117.12 1fbx h GLN 142 Ca 0.15 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1fbx h GLN 142 Cb 0.18 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1fbx h GLN 142 CO -0.01 0.38 -0.03 0.35 -0.95 0.00 0.00 178.83 178.56 1fbx h PHE 143 N 0.40 -0.06 0.00 2.96 3.57 -0.46 -0.18 116.94 123.16 1fbx h PHE 143 Ca 0.10 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1fbx h PHE 143 Cb 0.16 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1fbx h PHE 143 CO 0.00 -0.05 -0.36 0.74 -2.23 0.00 0.00 178.31 176.42 1fbx h PHE 144 N -0.00 0.00 -0.52 0.41 0.04 -1.31 -3.11 116.94 112.44 1fbx h PHE 144 Ca 0.05 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 1fbx h PHE 144 Cb 0.08 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 1fbx h PHE 144 CO -0.16 0.36 0.06 0.00 -0.60 0.00 0.00 178.31 177.97 1fbx h ALA 145 N 1.64 1.13 0.00 2.45 0.00 -0.40 -3.20 119.26 120.89 1fbx h ALA 145 Ca -0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.45 1fbx h ALA 145 Cb 1.18 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1fbx h ALA 145 CO 0.05 0.57 0.52 1.04 0.00 0.00 0.00 179.25 181.42 1fbx n GLN 146 N -4.24 1.78 -3.85 0.00 1.13 -0.15 -4.36 117.38 107.69 1fbx n GLN 146 Ca 0.03 -0.97 -0.11 0.00 -1.94 0.00 0.00 57.00 54.01 1fbx n GLN 146 Cb 0.27 -2.03 -0.09 0.00 0.11 0.00 0.00 30.24 28.50 1fbx n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1fbx s ARG 147 N 1.77 0.63 -0.26 -1.09 0.52 -1.21 -2.29 118.95 117.01 1fbx s ARG 147 Ca 0.51 -0.52 -0.29 0.00 -0.52 0.00 0.00 55.73 54.92 1fbx s ARG 147 Cb 0.22 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.92 1fbx s ARG 147 CO -0.01 -0.17 1.77 -2.14 0.02 0.00 0.00 175.30 174.77 1fbx s PRO 148 N -2.08 3.53 0.53 3.54 0.02 -1.26 -4.18 135.00 135.08 1fbx s PRO 148 Ca -0.09 1.61 0.03 0.00 0.02 0.00 0.00 61.00 62.58 1fbx s PRO 148 Cb -0.03 -4.15 0.01 0.00 0.02 0.00 0.00 34.50 30.35 1fbx s PRO 148 CO -0.01 -1.63 0.20 -0.65 -0.33 0.00 0.00 177.00 174.58 1fbx s GLN 149 N 5.29 2.23 -0.07 5.54 -1.52 -0.38 -4.65 119.66 126.09 1fbx s GLN 149 Ca 0.79 -2.21 -0.03 0.00 -1.95 0.00 0.00 55.36 51.96 1fbx s GLN 149 Cb -0.25 -1.81 0.04 0.00 -0.22 0.00 0.00 33.01 30.77 1fbx s GLN 149 CO 0.33 -0.48 0.14 0.08 -0.25 0.00 0.00 175.29 175.10 1fbx s VAL 150 N -2.82 -0.21 0.35 1.09 1.01 -1.26 -0.49 120.40 118.07 1fbx s VAL 150 Ca 0.20 0.35 0.15 0.00 0.00 0.00 0.00 61.98 62.67 1fbx s VAL 150 Cb -0.00 -0.26 0.34 0.00 0.00 0.00 0.00 36.38 36.46 1fbx s VAL 150 CO 0.12 0.14 1.69 -0.61 0.00 0.00 0.00 175.10 176.44 1fbx h GLN 151 N 8.23 0.36 -0.52 2.72 4.15 -1.99 0.70 115.11 128.77 1fbx h GLN 151 Ca -0.17 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.22 1fbx h GLN 151 Cb 1.12 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 1fbx h GLN 151 CO 0.18 0.24 0.31 0.93 -1.93 0.00 0.00 178.83 178.56 1fbx h GLU 152 N 0.37 0.71 0.22 1.69 3.07 -1.99 -2.75 114.58 115.91 1fbx h GLU 152 Ca 0.71 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.49 1fbx h GLU 152 Cb 1.62 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 1fbx h GLU 152 CO -0.53 0.52 -0.11 -0.09 -1.40 0.00 0.00 179.01 177.40 1fbx h ARG 153 N 0.69 -0.29 -1.10 2.33 2.43 -1.32 -3.12 114.38 114.01 1fbx h ARG 153 Ca 0.18 0.02 0.31 0.00 -0.81 0.00 0.00 59.98 59.68 1fbx h ARG 153 Cb 0.00 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 29.51 1fbx h ARG 153 CO -0.03 0.06 0.70 1.25 -1.51 0.00 0.00 179.97 180.43 1fbx h LEU 154 N -0.68 0.42 -0.52 3.80 5.85 -1.37 -0.10 115.31 122.72 1fbx h LEU 154 Ca -0.03 0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 1fbx h LEU 154 Cb 0.48 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1fbx h LEU 154 CO 0.05 0.01 -0.48 0.74 -0.34 0.00 0.00 178.44 178.42 1fbx h THR 155 N 0.33 1.30 0.45 1.05 2.02 -1.47 -2.91 112.91 113.68 1fbx h THR 155 Ca 0.66 -1.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 1fbx h THR 155 Cb 1.74 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1fbx h THR 155 CO -0.36 0.53 -0.22 1.56 0.37 0.00 0.00 175.52 177.41 1fbx h GLN 156 N 0.52 -0.58 -0.53 6.66 1.08 -0.98 -2.91 115.11 118.37 1fbx h GLN 156 Ca 0.03 0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.35 1fbx h GLN 156 Cb 1.02 0.13 -0.10 0.00 -0.05 0.00 0.00 27.48 28.49 1fbx h GLN 156 CO 0.10 -0.28 -0.44 1.96 -0.95 0.00 0.00 178.83 179.21 1fbx h GLN 157 N -0.89 -0.25 -0.67 1.46 4.20 -1.40 0.73 115.11 118.30 1fbx h GLN 157 Ca -0.06 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.79 1fbx h GLN 157 Cb 0.57 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.32 1fbx h GLN 157 CO 0.10 -0.17 0.20 0.82 -0.67 0.00 0.00 178.83 179.12 1fbx h ILE 158 N -0.26 0.65 0.54 2.54 2.04 -1.57 0.65 117.51 122.10 1fbx h ILE 158 Ca 0.16 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1fbx h ILE 158 Cb 0.57 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1fbx h ILE 158 CO -0.65 0.06 -0.46 0.25 0.00 0.00 0.00 178.15 177.35 1fbx h LEU 159 N 0.34 -1.22 -0.28 1.44 5.85 -0.73 -0.87 115.31 119.84 1fbx h LEU 159 Ca 0.36 0.09 0.06 0.00 0.84 0.00 0.00 57.88 59.23 1fbx h LEU 159 Cb 0.54 0.39 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1fbx h LEU 159 CO -0.40 -0.64 -0.13 0.40 -0.34 0.00 0.00 178.44 177.32 1fbx h ILE 160 N -0.98 0.59 -0.98 4.05 1.08 -0.06 0.11 117.51 121.32 1fbx h ILE 160 Ca -0.06 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.56 1fbx h ILE 160 Cb 0.84 0.59 -0.09 0.00 -3.07 0.00 0.00 36.82 35.09 1fbx h ILE 160 CO -0.02 0.00 0.61 0.00 -0.69 0.00 0.00 178.15 178.06 1fbx h ALA 161 N 1.14 1.69 0.25 1.87 0.00 0.55 -0.13 119.26 124.62 1fbx h ALA 161 Ca 0.15 0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.77 1fbx h ALA 161 Cb 0.31 -0.13 0.04 0.00 0.00 0.00 0.00 17.79 18.00 1fbx h ALA 161 CO -0.34 0.01 -1.42 -0.07 0.00 0.00 0.00 179.25 177.43 1fbx h LEU 162 N 0.81 0.82 -0.49 0.00 3.38 -0.11 -2.14 115.31 117.59 1fbx h LEU 162 Ca 0.52 -0.92 0.03 0.00 0.09 0.00 0.00 57.88 57.60 1fbx h LEU 162 Cb 0.74 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1fbx h LEU 162 CO -0.29 1.69 0.27 1.56 0.09 0.00 0.00 178.44 181.76 1fbx h GLN 163 N 0.10 0.52 -0.14 1.13 4.20 -0.41 -0.31 115.11 120.21 1fbx h GLN 163 Ca -0.25 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 1fbx h GLN 163 Cb 2.12 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.78 1fbx h GLN 163 CO 0.27 0.34 0.07 1.15 -0.67 0.00 0.00 178.83 179.99 1fbx h THR 164 N 0.53 1.10 0.00 -0.54 2.02 -1.10 -0.10 112.91 114.82 1fbx h THR 164 Ca 0.20 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1fbx h THR 164 Cb 0.07 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1fbx h THR 164 CO -0.12 0.09 0.00 0.18 0.37 0.00 0.00 175.52 176.04 1fbx n LEU 165 N -4.94 0.73 -0.00 2.58 4.77 -0.80 -3.46 117.00 115.87 1fbx n LEU 165 Ca -0.05 0.65 0.04 0.00 -0.03 0.00 0.00 56.01 56.62 1fbx n LEU 165 Cb 0.08 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 1fbx n LEU 165 CO 0.34 -0.47 -0.09 0.18 -1.33 0.00 0.00 177.39 176.02 1fbx n LEU 166 N -2.27 0.32 -3.31 2.23 4.77 -0.16 -5.02 117.00 113.56 1fbx n LEU 166 Ca 0.03 -0.44 -0.18 0.00 -0.03 0.00 0.00 56.01 55.39 1fbx n LEU 166 Cb 0.28 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1fbx n LEU 166 CO 0.23 0.08 0.14 0.61 -1.33 0.00 0.00 177.39 177.12 1fbx n GLY 167 N 1.29 -0.35 3.28 -0.72 0.00 -0.06 -4.65 105.19 103.96 1fbx n GLY 167 Ca 0.01 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1fbx n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fbx s THR 168 N -3.33 0.03 -1.55 2.61 2.01 -1.15 -4.88 115.64 109.38 1fbx s THR 168 Ca 0.16 -0.26 0.26 0.00 0.31 0.00 0.00 61.69 62.16 1fbx s THR 168 Cb -0.07 -0.62 0.22 0.00 0.01 0.00 0.00 72.50 72.04 1fbx s THR 168 CO 0.68 -0.15 1.56 0.59 -0.69 0.00 0.00 174.62 176.62 1fbx n ASN 169 N 1.83 0.83 -3.43 3.53 3.02 -1.26 -4.45 115.26 115.34 1fbx n ASN 169 Ca -0.18 -0.69 -0.39 0.00 -0.03 0.00 0.00 54.58 53.29 1fbx n ASN 169 Cb 0.57 0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.85 1fbx n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1fbx n ASN 170 N -0.89 7.07 -4.17 6.41 3.02 -1.26 0.23 115.26 125.67 1fbx n ASN 170 Ca 0.11 -2.64 -0.19 0.00 -0.03 0.00 0.00 54.58 51.83 1fbx n ASN 170 Cb 0.34 -1.56 -0.12 0.00 -0.61 0.00 0.00 39.78 37.83 1fbx n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fbx s VAL 171 N 2.58 1.12 0.00 2.41 1.01 -1.26 0.06 120.40 126.33 1fbx s VAL 171 Ca 0.62 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1fbx s VAL 171 Cb 0.16 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1fbx s VAL 171 CO -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 175.10 174.85 1fbx s ALA 172 N -1.16 0.16 -0.02 5.51 0.00 0.20 -1.32 121.76 125.12 1fbx s ALA 172 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1fbx s ALA 172 Cb -0.09 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.03 1fbx s ALA 172 CO 0.02 0.02 0.01 0.08 0.00 0.00 0.00 175.76 175.88 1fbx s VAL 173 N -0.20 0.11 -0.03 0.00 1.01 0.16 -1.80 120.40 119.63 1fbx s VAL 173 Ca -0.01 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1fbx s VAL 173 Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1fbx s VAL 173 CO -0.00 0.12 -0.10 -0.55 0.00 0.00 0.00 175.10 174.56 1fbx s SER 174 N 0.93 1.41 -0.05 3.32 0.15 -0.54 0.11 113.70 119.02 1fbx s SER 174 Ca -0.09 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.38 1fbx s SER 174 Cb -0.12 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1fbx s SER 174 CO -0.02 0.07 -0.16 -0.63 1.20 0.00 0.00 173.24 173.70 1fbx s ILE 175 N 0.26 1.38 -0.22 6.45 1.01 0.15 -1.02 121.20 129.20 1fbx s ILE 175 Ca -0.05 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1fbx s ILE 175 Cb -0.10 -1.20 0.05 0.00 0.01 0.00 0.00 42.46 41.22 1fbx s ILE 175 CO 0.01 0.40 -0.08 -0.62 0.00 0.00 0.00 174.94 174.65 1fbx s ASP 176 N 0.22 3.68 0.19 3.58 3.68 -0.47 -0.99 116.67 126.57 1fbx s ASP 176 Ca -0.08 -1.06 -0.04 0.00 2.13 0.00 0.00 52.55 53.51 1fbx s ASP 176 Cb -0.13 -1.24 -0.03 0.00 -1.45 0.00 0.00 42.92 40.08 1fbx s ASP 176 CO 0.03 -0.19 0.20 0.00 0.13 0.00 0.00 175.17 175.35 1fbx s ALA 177 N 1.37 0.70 -0.13 3.66 0.00 -0.33 0.74 121.76 127.77 1fbx s ALA 177 Ca -0.04 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.53 1fbx s ALA 177 Cb -0.18 1.17 -0.01 0.00 0.00 0.00 0.00 23.12 24.11 1fbx s ALA 177 CO -0.07 -0.63 -0.17 0.08 0.00 0.00 0.00 175.76 174.97 1fbx s VAL 178 N -4.09 2.64 -0.44 0.00 1.01 0.80 -0.54 120.40 119.78 1fbx s VAL 178 Ca 0.31 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 1fbx s VAL 178 Cb 0.05 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.38 1fbx s VAL 178 CO 0.08 0.53 0.40 -1.00 0.00 0.00 0.00 175.10 175.12 1fbx s HIS 179 N 0.49 3.20 -2.00 5.22 3.76 -1.26 -1.26 115.29 123.44 1fbx s HIS 179 Ca -0.12 -0.57 0.11 0.00 -0.15 0.00 0.00 55.06 54.33 1fbx s HIS 179 Cb -0.16 -2.91 0.63 0.00 1.11 0.00 0.00 32.58 31.25 1fbx s HIS 179 CO 0.05 -0.72 1.07 0.66 -0.85 0.00 0.00 174.74 174.95 1fbx n TYR 180 N 5.43 0.00 0.63 1.40 4.02 -0.77 -0.73 117.16 127.15 1fbx n TYR 180 Ca -0.09 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.89 1fbx n TYR 180 Cb 0.46 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 40.05 1fbx n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fbx n VAL 182 N 0.92 0.03 -0.08 0.00 0.31 0.09 -4.67 118.33 114.94 1fbx n VAL 182 Ca 0.17 -0.02 -0.21 0.00 -0.01 0.00 0.00 64.34 64.28 1fbx n VAL 182 Cb 0.45 -0.72 -0.12 0.00 -0.91 0.00 0.00 33.84 32.53 1fbx n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1fbx h LYS 183 N 0.00 0.05 -0.10 5.55 3.64 -1.49 -0.81 116.57 123.41 1fbx h LYS 183 Ca -0.01 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1fbx h LYS 183 Cb 1.02 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1fbx h LYS 183 CO -0.00 1.04 0.00 0.00 -2.27 0.00 0.00 179.45 178.22 1fbx n ALA 184 N -3.25 2.55 -3.62 5.00 0.00 -0.52 -4.21 120.51 116.47 1fbx n ALA 184 Ca -0.29 -0.33 -0.02 0.00 0.00 0.00 0.00 53.44 52.80 1fbx n ALA 184 Cb 0.72 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 1fbx n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1fbx s ARG 185 N -1.87 0.51 7.98 0.00 3.00 -1.25 -5.01 118.95 122.31 1fbx s ARG 185 Ca 0.28 -0.25 0.00 0.00 -1.00 0.00 0.00 55.73 54.76 1fbx s ARG 185 Cb 0.14 0.20 0.00 0.00 0.00 0.00 0.00 34.95 35.29 1fbx s ARG 185 CO 0.22 -0.23 0.00 0.41 0.00 0.00 0.00 175.30 175.70 1fbx n GLY 186 N -0.34 3.02 0.09 8.12 0.00 -1.26 -2.65 105.19 112.17 1fbx n GLY 186 Ca -0.05 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1fbx n GLY 186 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1fbx n ILE 187 N 0.00 0.82 -3.98 -0.61 0.13 -1.26 -4.93 119.36 109.53 1fbx n ILE 187 Ca 0.00 0.18 -0.35 0.00 -1.10 0.00 0.00 62.75 61.48 1fbx n ILE 187 Cb 0.00 -1.05 -0.00 0.00 -0.84 0.00 0.00 39.64 37.75 1fbx n ILE 187 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1fbx n ARG 188 N -2.04 -1.36 -3.04 9.51 1.74 -0.70 -4.92 116.66 115.86 1fbx n ARG 188 Ca 0.03 0.26 -0.43 0.00 -0.77 0.00 0.00 57.85 56.94 1fbx n ARG 188 Cb 0.24 -3.62 -0.06 0.00 -1.02 0.00 0.00 32.46 28.00 1fbx n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1fbx s ASP 189 N -3.87 6.38 0.00 0.55 -1.08 -0.39 -4.90 116.67 113.36 1fbx s ASP 189 Ca 0.29 -0.18 0.10 0.00 -0.52 0.00 0.00 52.55 52.24 1fbx s ASP 189 Cb -0.13 -2.35 0.30 0.00 -1.46 0.00 0.00 42.92 39.28 1fbx s ASP 189 CO 0.93 -0.83 1.25 0.00 0.52 0.00 0.00 175.17 177.04 1fbx n ALA 190 N 6.46 2.45 0.00 3.66 0.00 -1.26 -3.98 120.51 127.85 1fbx n ALA 190 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1fbx n ALA 190 Cb 0.48 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1fbx n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1fbx n THR 191 N 0.43 0.00 -2.26 0.00 -2.24 -1.26 -5.08 114.28 103.86 1fbx n THR 191 Ca 0.11 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.54 1fbx n THR 191 Cb 0.27 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1fbx n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fbx s SER 192 N -1.63 5.76 0.17 3.42 1.04 -1.26 -5.06 113.70 116.14 1fbx s SER 192 Ca 0.00 2.14 0.01 0.00 0.48 0.00 0.00 55.95 58.59 1fbx s SER 192 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 1fbx s SER 192 CO 0.00 -1.19 0.01 0.00 0.98 0.00 0.00 173.24 173.04 1fbx s ALA 193 N -1.82 1.30 0.07 5.32 0.00 -1.26 -4.79 121.76 120.57 1fbx s ALA 193 Ca 0.72 -1.59 0.09 0.00 0.00 0.00 0.00 51.96 51.18 1fbx s ALA 193 Cb -0.23 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1fbx s ALA 193 CO 0.27 -0.35 -0.24 0.99 0.00 0.00 0.00 175.76 176.43 1fbx s THR 194 N -3.71 1.95 -0.09 0.00 2.01 0.30 -4.95 115.64 111.15 1fbx s THR 194 Ca 0.24 -1.42 0.01 0.00 0.31 0.00 0.00 61.69 60.83 1fbx s THR 194 Cb 0.06 -1.70 0.02 0.00 0.01 0.00 0.00 72.50 70.89 1fbx s THR 194 CO 0.04 0.20 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.17 1fbx s THR 195 N -0.90 1.17 -0.01 -0.82 2.01 -1.26 -1.19 115.64 114.64 1fbx s THR 195 Ca 0.10 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.69 1fbx s THR 195 Cb -0.10 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 1fbx s THR 195 CO 0.03 0.37 -0.13 0.42 -0.69 0.00 0.00 174.62 174.63 1fbx s THR 196 N 1.06 1.01 0.05 -0.82 -4.23 -0.16 -4.97 115.64 107.58 1fbx s THR 196 Ca -0.07 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1fbx s THR 196 Cb -0.15 -0.85 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 1fbx s THR 196 CO -0.01 0.29 -0.05 0.42 -0.54 0.00 0.00 174.62 174.73 1fbx s THR 197 N -0.27 0.35 -0.06 3.99 -4.23 -1.26 0.29 115.64 114.46 1fbx s THR 197 Ca 0.04 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1fbx s THR 197 Cb -0.05 -1.04 0.02 0.00 1.34 0.00 0.00 72.50 72.77 1fbx s THR 197 CO -0.00 -0.72 -0.03 -0.44 -0.54 0.00 0.00 174.62 172.89 1fbx s SER 198 N -2.30 1.18 -0.11 3.99 0.01 0.12 -4.98 113.70 111.60 1fbx s SER 198 Ca -0.01 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.17 1fbx s SER 198 Cb -0.01 -0.44 0.01 0.00 0.21 0.00 0.00 66.02 65.79 1fbx s SER 198 CO -0.04 -0.11 -0.20 -0.76 0.41 0.00 0.00 173.24 172.53 1fbx s LEU 199 N 1.33 1.97 0.00 2.44 1.43 -1.26 -0.67 118.68 123.92 1fbx s LEU 199 Ca -0.05 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1fbx s LEU 199 Cb -0.13 -1.28 0.03 0.00 0.03 0.00 0.00 46.19 44.83 1fbx s LEU 199 CO -0.02 0.10 0.23 0.61 0.23 0.00 0.00 176.35 177.49 1fbx n GLY 200 N 3.80 2.55 2.13 -3.19 0.00 -0.43 -4.47 105.19 105.59 1fbx n GLY 200 Ca -0.20 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.62 1fbx n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fbx n GLY 201 N 2.25 0.66 0.25 -0.02 0.00 0.14 -1.51 105.19 106.95 1fbx n GLY 201 Ca 0.02 0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1fbx n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fbx h LEU 202 N 0.00 0.23 0.00 0.99 3.38 -1.94 -1.97 115.31 116.00 1fbx h LEU 202 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1fbx h LEU 202 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1fbx h LEU 202 CO 0.00 0.35 0.00 0.49 0.09 0.00 0.00 178.44 179.37 1fbx n PHE 203 N -4.31 0.00 -0.03 1.13 3.72 -0.57 -1.49 117.46 115.92 1fbx n PHE 203 Ca -0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.36 1fbx n PHE 203 Cb 0.24 -0.30 -0.04 0.00 -0.94 0.00 0.00 39.48 38.44 1fbx n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1fbx n LYS 204 N -1.30 2.62 -0.14 -1.08 4.81 -0.78 -4.45 118.16 117.86 1fbx n LYS 204 Ca 0.06 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.22 1fbx n LYS 204 Cb 0.11 -1.15 -0.10 0.00 0.02 0.00 0.00 35.03 33.91 1fbx n LYS 204 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1fbx n SER 205 N -2.29 1.95 -4.55 3.14 3.41 -0.96 -4.84 113.62 109.48 1fbx n SER 205 Ca -0.10 0.35 -0.37 0.00 -0.26 0.00 0.00 58.87 58.49 1fbx n SER 205 Cb 0.68 -0.83 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 1fbx n SER 205 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1fbx s SER 206 N -7.40 5.31 0.29 4.04 0.15 -0.55 -4.84 113.70 110.69 1fbx s SER 206 Ca -0.38 0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.41 1fbx s SER 206 Cb 0.14 -2.54 0.68 0.00 -1.71 0.00 0.00 66.02 62.60 1fbx s SER 206 CO 0.50 -2.40 1.74 -0.61 1.20 0.00 0.00 173.24 173.67 1fbx h GLN 207 N 14.03 0.57 -0.51 5.44 5.75 -1.88 0.42 115.11 138.93 1fbx h GLN 207 Ca -0.20 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.31 1fbx h GLN 207 Cb 1.13 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.51 1fbx h GLN 207 CO 1.22 0.38 0.27 -0.97 -2.65 0.00 0.00 178.83 177.08 1fbx h ASN 208 N 0.58 0.41 1.20 -0.69 -1.24 -1.93 -0.97 115.58 112.94 1fbx h ASN 208 Ca 0.54 0.02 -0.13 0.00 0.71 0.00 0.00 56.30 57.44 1fbx h ASN 208 Cb 0.91 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.88 1fbx h ASN 208 CO -0.43 0.28 -0.62 0.74 -1.29 0.00 0.00 177.43 176.11 1fbx h THR 209 N 0.54 1.13 -0.24 -3.57 2.02 -1.28 -2.62 112.91 108.89 1fbx h THR 209 Ca 0.22 -2.42 -0.04 0.00 0.77 0.00 0.00 66.41 64.94 1fbx h THR 209 Cb 0.10 2.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1fbx h THR 209 CO -0.14 0.61 -0.01 -0.09 0.37 0.00 0.00 175.52 176.26 1fbx h ARG 210 N 0.00 0.43 0.00 6.66 2.43 0.20 -2.87 114.38 121.23 1fbx h ARG 210 Ca -0.01 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1fbx h ARG 210 Cb 1.39 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1fbx h ARG 210 CO 0.08 0.62 -0.00 0.45 -1.51 0.00 0.00 179.97 179.61 1fbx h HIS 211 N 0.20 0.00 -0.56 2.20 3.86 -1.24 -2.78 115.15 116.83 1fbx h HIS 211 Ca 0.07 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1fbx h HIS 211 Cb 0.43 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 1fbx h HIS 211 CO 0.04 0.00 0.09 0.93 0.86 0.00 0.00 177.93 179.84 1fbx h GLU 212 N 0.00 0.89 0.17 2.45 5.08 -1.28 -1.43 114.58 120.46 1fbx h GLU 212 Ca -0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1fbx h GLU 212 Cb 0.95 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1fbx h GLU 212 CO 0.00 0.83 -0.08 0.35 -1.00 0.00 0.00 179.01 179.11 1fbx h PHE 213 N 0.85 -0.21 -0.87 4.33 3.57 -1.42 -3.09 116.94 120.09 1fbx h PHE 213 Ca 0.17 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.76 1fbx h PHE 213 Cb 0.38 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 1fbx h PHE 213 CO 0.02 0.22 0.56 -0.07 -2.23 0.00 0.00 178.31 176.82 1fbx h LEU 214 N -0.82 0.80 -1.98 0.59 3.38 -1.46 0.24 115.31 116.07 1fbx h LEU 214 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1fbx h LEU 214 Cb 0.52 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1fbx h LEU 214 CO 0.04 0.48 -0.08 -0.09 0.09 0.00 0.00 178.44 178.88 1fbx h ARG 215 N 0.89 0.00 0.02 1.13 2.43 -1.32 -1.93 114.38 115.60 1fbx h ARG 215 Ca 0.40 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.33 1fbx h ARG 215 Cb 0.36 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1fbx h ARG 215 CO -0.16 0.08 -1.16 0.00 -1.51 0.00 0.00 179.97 177.22 1fbx h ALA 216 N 1.92 0.37 -2.54 2.80 0.00 -0.89 -3.47 119.26 117.45 1fbx h ALA 216 Ca -0.00 -1.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.39 1fbx h ALA 216 Cb 0.16 -0.02 0.15 0.00 0.00 0.00 0.00 17.79 18.09 1fbx h ALA 216 CO 0.01 1.25 0.35 0.08 0.00 0.00 0.00 179.25 180.94 1fbx s VAL 217 N -2.68 2.48 -0.08 0.00 1.01 -0.73 -4.52 120.40 115.88 1fbx s VAL 217 Ca -0.01 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 1fbx s VAL 217 Cb 0.09 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1fbx s VAL 217 CO 0.83 -0.15 0.08 -1.14 0.00 0.00 0.00 175.10 174.72 1fbx n ARG 218 N -3.04 -0.19 -3.36 2.72 3.00 -1.26 -5.02 116.66 109.51 1fbx n ARG 218 Ca 0.12 0.64 -0.35 0.00 -0.00 0.00 0.00 57.85 58.27 1fbx n ARG 218 Cb 0.51 -2.02 -0.05 0.00 0.00 0.00 0.00 32.46 30.90 1fbx n ARG 218 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1fbx n HIS 219 N -0.94 3.37 -1.54 -0.14 8.25 -1.26 -5.02 115.22 117.93 1fbx n HIS 219 Ca 0.00 -3.65 -0.28 0.00 -0.26 0.00 0.00 57.72 53.53 1fbx n HIS 219 Cb 0.39 -0.94 -0.07 0.00 1.12 0.00 0.00 29.99 30.49 1fbx n HIS 219 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1fbx n HIS 220 N 1.41 1.14 -0.29 4.41 -0.00 -1.26 -4.87 115.22 115.77 1fbx n HIS 220 Ca 0.26 0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.54 1fbx n HIS 220 Cb 0.37 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 27.79 1fbx n HIS 220 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89