#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 -4.37 3.54 2.88 -1.26 -5.16 113.62 109.25 1fbx n SER 2 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1fbx n SER 2 Cb 0.00 0.34 -0.10 0.00 -0.75 0.00 0.00 64.21 63.70 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 -4.07 2.24 0.33 2.46 1.43 -1.26 -4.75 118.68 115.05 1fbx s LEU 3 Ca 0.00 -1.24 0.08 0.00 -1.03 0.00 0.00 54.13 51.93 1fbx s LEU 3 Cb 0.00 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.82 1fbx s LEU 3 CO 0.00 -0.50 0.21 -0.94 0.23 0.00 0.00 176.35 175.35 1fbx s SER 4 N -3.37 5.00 0.13 2.29 1.04 -1.26 -4.99 113.70 112.53 1fbx s SER 4 Ca 0.30 -0.61 -0.23 0.00 0.48 0.00 0.00 55.95 55.89 1fbx s SER 4 Cb 0.06 -0.88 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 1fbx s SER 4 CO 0.11 -0.29 1.67 0.11 0.98 0.00 0.00 173.24 175.81 1fbx h LYS 5 N 1.42 -0.20 -0.36 4.02 1.57 -2.02 -1.94 116.57 119.08 1fbx h LYS 5 Ca -0.44 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.41 1fbx h LYS 5 Cb 1.25 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.52 1fbx h LYS 5 CO 0.61 -0.13 -0.47 0.93 -0.57 0.00 0.00 179.45 179.81 1fbx h GLU 6 N -0.21 -0.37 -0.71 3.15 3.07 -1.96 -0.85 114.58 116.70 1fbx h GLU 6 Ca 0.08 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 1fbx h GLU 6 Cb 0.33 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 1fbx h GLU 6 CO -0.22 -0.25 0.36 0.00 -1.40 0.00 0.00 179.01 177.50 1fbx h ALA 7 N 0.21 0.91 -0.45 3.43 0.00 -1.87 -1.09 119.26 120.40 1fbx h ALA 7 Ca 0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1fbx h ALA 7 Cb 0.60 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1fbx h ALA 7 CO -0.55 0.46 -0.10 0.00 0.00 0.00 0.00 179.25 179.06 1fbx h ALA 8 N 1.18 0.99 -0.22 0.00 0.00 -1.00 0.23 119.26 120.43 1fbx h ALA 8 Ca 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1fbx h ALA 8 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1fbx h ALA 8 CO -0.03 0.60 0.01 -0.07 0.00 0.00 0.00 179.25 179.76 1fbx h LEU 9 N 0.72 0.37 0.45 0.00 3.38 -0.91 0.09 115.31 119.42 1fbx h LEU 9 Ca 0.12 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1fbx h LEU 9 Cb 0.58 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1fbx h LEU 9 CO 0.04 0.58 -0.22 0.58 0.09 0.00 0.00 178.44 179.51 1fbx h VAL 10 N 0.16 0.52 -0.54 1.22 2.07 -1.03 -2.37 116.25 116.28 1fbx h VAL 10 Ca 0.06 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 67.36 1fbx h VAL 10 Cb 0.38 0.66 -0.11 0.00 -1.52 0.00 0.00 31.29 30.71 1fbx h VAL 10 CO 0.01 0.06 -0.21 -0.74 0.02 0.00 0.00 177.57 176.70 1fbx h HIS 11 N -0.81 -0.53 -0.74 1.57 -0.00 -0.51 0.07 115.15 114.20 1fbx h HIS 11 Ca -0.06 0.06 0.07 0.00 -0.00 0.00 0.00 60.37 60.43 1fbx h HIS 11 Cb 0.55 0.31 -0.06 0.00 -0.00 0.00 0.00 27.41 28.22 1fbx h HIS 11 CO -0.00 -0.30 0.43 0.93 -0.00 0.00 0.00 177.93 178.99 1fbx h GLU 12 N -0.09 0.76 0.11 5.26 5.08 -0.96 -1.79 114.58 122.96 1fbx h GLU 12 Ca 0.25 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1fbx h GLU 12 Cb 0.47 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1fbx h GLU 12 CO -0.59 0.50 -0.13 0.00 -1.00 0.00 0.00 179.01 177.78 1fbx h ALA 13 N 1.38 -0.25 -0.49 3.43 0.00 -0.48 0.30 119.26 123.16 1fbx h ALA 13 Ca 0.34 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1fbx h ALA 13 Cb 0.21 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1fbx h ALA 13 CO -0.19 -0.66 0.30 -0.07 0.00 0.00 0.00 179.25 178.63 1fbx h LEU 14 N -0.28 0.50 -0.73 0.00 3.38 -1.00 -1.71 115.31 115.47 1fbx h LEU 14 Ca 0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1fbx h LEU 14 Cb 0.28 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1fbx h LEU 14 CO -0.05 0.36 0.40 0.58 0.09 0.00 0.00 178.44 179.81 1fbx h VAL 15 N 0.61 1.23 -0.51 1.22 2.07 -0.95 0.18 116.25 120.10 1fbx h VAL 15 Ca 0.19 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1fbx h VAL 15 Cb -0.01 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1fbx h VAL 15 CO -0.07 0.25 0.30 0.00 0.02 0.00 0.00 177.57 178.07 1fbx h ALA 16 N 1.20 0.65 -0.02 1.67 0.00 0.05 -1.77 119.26 121.04 1fbx h ALA 16 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1fbx h ALA 16 Cb 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1fbx h ALA 16 CO -0.04 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.75 1fbx n ARG 17 N -4.80 1.18 -3.13 0.00 3.00 -0.68 -4.91 116.66 107.31 1fbx n ARG 17 Ca 0.04 -0.27 -0.14 0.00 -0.01 0.00 0.00 57.85 57.46 1fbx n ARG 17 Cb 0.08 -1.42 0.05 0.00 0.00 0.00 0.00 32.46 31.17 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 0.97 0.05 0.10 -0.13 0.00 -0.56 -4.94 105.19 100.68 1fbx n GLY 18 Ca 0.19 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.17 1.71 -4.85 0.99 4.77 0.52 -5.02 117.00 111.96 1fbx n LEU 19 Ca -0.01 -2.17 -0.32 0.00 -0.03 0.00 0.00 56.01 53.48 1fbx n LEU 19 Cb 0.54 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1fbx n LEU 19 CO 0.39 0.51 0.68 -1.61 -1.33 0.00 0.00 177.39 176.03 1fbx s GLU 20 N -1.62 3.90 0.29 3.23 0.41 -1.22 -4.80 118.70 118.89 1fbx s GLU 20 Ca 0.14 0.92 -0.29 0.00 -0.41 0.00 0.00 54.97 55.33 1fbx s GLU 20 Cb 0.13 -2.13 -0.10 0.00 -1.78 0.00 0.00 34.13 30.24 1fbx s GLU 20 CO 0.01 -0.31 1.45 0.99 -0.49 0.00 0.00 175.26 176.92 1fbx s THR 21 N -2.69 2.45 -0.56 3.63 2.01 -1.26 -4.82 115.64 114.40 1fbx s THR 21 Ca 0.58 0.40 -0.26 0.00 0.31 0.00 0.00 61.69 62.72 1fbx s THR 21 Cb -0.10 -3.26 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 1fbx s THR 21 CO 0.34 0.08 2.44 -2.65 -0.69 0.00 0.00 174.62 174.14 1fbx n PRO 22 N 1.71 0.91 -4.35 4.92 -0.02 -1.26 -4.94 135.00 131.98 1fbx n PRO 22 Ca 0.05 -0.05 -0.29 0.00 -2.02 0.00 0.00 63.50 61.18 1fbx n PRO 22 Cb 0.40 -3.28 -0.12 0.00 -0.02 0.00 0.00 33.50 30.48 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 12.06 2.53 -0.03 2.45 1.02 -1.26 -5.14 118.68 130.31 1fbx s LEU 23 Ca 1.01 -0.66 0.01 0.00 0.02 0.00 0.00 54.13 54.51 1fbx s LEU 23 Cb -0.27 -1.38 -0.03 0.00 0.02 0.00 0.00 46.19 44.52 1fbx s LEU 23 CO 0.27 0.17 -0.01 -0.13 0.02 0.00 0.00 176.35 176.68 1fbx s ARG 24 N -2.15 2.82 0.27 1.70 0.52 -1.26 -5.07 118.95 115.77 1fbx s ARG 24 Ca 0.17 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 1fbx s ARG 24 Cb -0.10 -2.68 -0.14 0.00 0.52 0.00 0.00 34.95 32.55 1fbx s ARG 24 CO 0.08 0.64 1.22 -2.30 0.02 0.00 0.00 175.30 174.97 1fbx n PRO 25 N 1.64 1.71 -0.35 3.54 -0.02 -1.26 -4.77 135.00 135.48 1fbx n PRO 25 Ca -0.16 0.60 0.24 0.00 -2.02 0.00 0.00 63.50 62.17 1fbx n PRO 25 Cb 0.53 -2.13 0.50 0.00 -0.02 0.00 0.00 33.50 32.38 1fbx n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1fbx h PRO 26 N 3.06 0.35 0.00 0.52 0.11 -2.05 -3.45 132.00 130.54 1fbx h PRO 26 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1fbx h PRO 26 Cb 1.31 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1fbx h PRO 26 CO 0.67 0.23 0.00 0.28 -0.21 0.00 0.00 178.00 178.98 1fbx n VAL 27 N -4.78 0.00 -4.76 3.15 0.31 -1.26 -4.87 118.33 106.12 1fbx n VAL 27 Ca 0.29 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.32 1fbx n VAL 27 Cb 0.97 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.77 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 2.47 -0.92 3.52 -3.43 -1.26 -5.04 115.29 110.63 1fbx s HIS 28 Ca 0.00 -0.31 -0.25 0.00 -0.80 0.00 0.00 55.06 53.69 1fbx s HIS 28 Cb 0.00 -1.44 -0.19 0.00 -1.43 0.00 0.00 32.58 29.52 1fbx s HIS 28 CO 0.00 0.20 2.23 0.39 -2.00 0.00 0.00 174.74 175.57 1fbx n GLU 29 N 1.65 0.31 -3.07 -0.38 1.02 -1.26 -4.92 120.64 113.99 1fbx n GLU 29 Ca -0.16 -1.22 -0.40 0.00 -0.02 0.00 0.00 57.16 55.36 1fbx n GLU 29 Cb 0.52 -3.69 -0.05 0.00 -0.02 0.00 0.00 31.44 28.20 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 8.62 4.40 -0.01 3.49 1.75 -1.26 -5.01 119.30 131.28 1fbx s MET 30 Ca 0.86 0.82 -0.30 0.00 -1.25 0.00 0.00 55.69 55.83 1fbx s MET 30 Cb -0.11 -3.47 -0.07 0.00 2.84 0.00 0.00 34.83 34.02 1fbx s MET 30 CO 0.14 0.02 1.77 0.34 -0.65 0.00 0.00 175.02 176.64 1fbx s ASP 31 N 0.84 6.58 0.55 1.11 2.15 -1.26 -4.87 116.67 121.77 1fbx s ASP 31 Ca 0.36 2.43 0.47 0.00 0.43 0.00 0.00 52.55 56.23 1fbx s ASP 31 Cb -0.17 -2.54 1.69 0.00 -0.30 0.00 0.00 42.92 41.61 1fbx s ASP 31 CO 0.16 -0.97 1.62 0.78 -0.17 0.00 0.00 175.17 176.59 1fbx h ASN 32 N 9.78 0.01 -0.18 -0.34 4.21 -1.99 0.61 115.58 127.68 1fbx h ASN 32 Ca -0.43 0.01 -0.18 0.00 1.21 0.00 0.00 56.30 56.91 1fbx h ASN 32 Cb 1.20 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1fbx h ASN 32 CO 0.95 -0.01 -0.54 -0.33 -1.29 0.00 0.00 177.43 176.20 1fbx h GLU 33 N 0.00 0.77 0.27 0.81 5.08 -1.99 -1.21 114.58 118.32 1fbx h GLU 33 Ca 0.87 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1fbx h GLU 33 Cb 3.45 0.06 0.00 0.00 0.50 0.00 0.00 28.75 32.76 1fbx h GLU 33 CO -0.03 1.11 -0.13 1.15 -1.00 0.00 0.00 179.01 180.11 1fbx h THR 34 N 0.60 0.76 -0.63 1.13 2.02 -0.15 0.13 112.91 116.76 1fbx h THR 34 Ca 0.01 -0.16 0.10 0.00 0.77 0.00 0.00 66.41 67.14 1fbx h THR 34 Cb 1.13 0.85 -0.11 0.00 -1.74 0.00 0.00 68.15 68.28 1fbx h THR 34 CO 0.12 0.03 -0.40 0.03 0.37 0.00 0.00 175.52 175.67 1fbx h ARG 35 N -0.44 -0.17 -0.03 6.66 3.08 -1.30 0.48 114.38 122.65 1fbx h ARG 35 Ca -0.04 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1fbx h ARG 35 Cb 0.33 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1fbx h ARG 35 CO 0.06 -0.11 -0.08 0.87 -1.07 0.00 0.00 179.97 179.64 1fbx h LYS 36 N -0.18 -0.11 0.00 0.04 1.57 -0.94 0.18 116.57 117.13 1fbx h LYS 36 Ca 0.21 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1fbx h LYS 36 Cb 0.56 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1fbx h LYS 36 CO -0.72 -0.07 -0.05 0.66 -0.57 0.00 0.00 179.45 178.70 1fbx h SER 37 N -0.12 0.00 -0.15 0.86 4.64 0.13 0.29 113.55 119.21 1fbx h SER 37 Ca 0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 1fbx h SER 37 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1fbx h SER 37 CO -0.10 0.05 -0.18 -0.07 -0.87 0.00 0.00 176.83 175.65 1fbx h LEU 38 N 0.00 0.42 -0.17 5.97 3.38 0.94 -0.61 115.31 125.24 1fbx h LEU 38 Ca -0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1fbx h LEU 38 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1fbx h LEU 38 CO 0.01 0.84 0.10 0.40 0.09 0.00 0.00 178.44 179.88 1fbx h ILE 39 N 0.01 1.03 0.00 1.22 2.04 0.07 0.14 117.51 122.02 1fbx h ILE 39 Ca 0.02 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1fbx h ILE 39 Cb 0.73 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1fbx h ILE 39 CO 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 178.15 178.19 1fbx h ALA 40 N 1.07 1.31 0.62 1.87 0.00 -0.44 -0.90 119.26 122.78 1fbx h ALA 40 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1fbx h ALA 40 Cb -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1fbx h ALA 40 CO -0.03 0.06 -0.30 0.78 0.00 0.00 0.00 179.25 179.76 1fbx h GLY 41 N 0.43 -0.87 0.99 0.00 0.00 0.86 -2.63 103.07 101.86 1fbx h GLY 41 Ca -0.00 0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.68 1fbx h GLY 41 CO 0.01 -0.32 0.62 0.45 0.00 0.00 0.00 176.54 177.30 1fbx h HIS 42 N -1.15 1.17 0.00 5.60 -0.00 -0.76 -2.04 115.15 117.97 1fbx h HIS 42 Ca -0.09 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.29 1fbx h HIS 42 Cb 0.67 -0.39 -0.00 0.00 -0.00 0.00 0.00 27.41 27.69 1fbx h HIS 42 CO 0.00 0.70 -0.09 0.52 -0.00 0.00 0.00 177.93 179.07 1fbx h MET 43 N 1.23 0.00 -0.32 2.45 2.86 -1.17 -0.84 114.93 119.12 1fbx h MET 43 Ca 0.36 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.83 1fbx h MET 43 Cb -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1fbx h MET 43 CO -0.10 0.09 -0.47 1.15 1.06 0.00 0.00 176.91 178.64 1fbx h THR 44 N 0.00 1.28 0.42 2.22 2.02 -0.98 0.05 112.91 117.91 1fbx h THR 44 Ca -0.00 -1.65 -0.01 0.00 0.77 0.00 0.00 66.41 65.52 1fbx h THR 44 Cb 0.16 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1fbx h THR 44 CO 0.01 0.54 -0.30 -0.33 0.37 0.00 0.00 175.52 175.82 1fbx h GLU 45 N 0.69 -0.68 -0.24 6.66 4.39 -0.97 -1.05 114.58 123.38 1fbx h GLU 45 Ca 0.04 0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.84 1fbx h GLU 45 Cb 1.06 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.81 1fbx h GLU 45 CO 0.11 -0.45 -0.14 0.82 -1.16 0.00 0.00 179.01 178.19 1fbx h ILE 46 N -0.70 0.59 -0.22 3.13 2.04 -1.07 0.16 117.51 121.43 1fbx h ILE 46 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1fbx h ILE 46 Cb 0.60 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1fbx h ILE 46 CO 0.01 0.00 0.16 0.24 0.00 0.00 0.00 178.15 178.56 1fbx h MET 47 N -0.12 0.11 -0.12 2.37 2.86 -0.86 -0.81 114.93 118.38 1fbx h MET 47 Ca 0.13 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.62 1fbx h MET 47 Cb 0.31 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1fbx h MET 47 CO -0.31 0.08 -0.56 1.96 1.06 0.00 0.00 176.91 179.13 1fbx h GLN 48 N 0.12 0.35 0.00 1.72 4.20 0.61 -2.49 115.11 119.62 1fbx h GLN 48 Ca 0.10 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1fbx h GLN 48 Cb 0.25 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1fbx h GLN 48 CO -0.01 0.82 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.73 1fbx h LEU 49 N 0.27 0.00 -0.79 1.46 3.38 0.24 -0.80 115.31 119.07 1fbx h LEU 49 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fbx h LEU 49 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1fbx h LEU 49 CO 0.09 0.17 0.00 0.18 0.09 0.00 0.00 178.44 178.97 1fbx n LEU 50 N -3.42 1.19 -1.45 1.67 4.77 -0.66 -4.92 117.00 114.18 1fbx n LEU 50 Ca -0.00 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.36 1fbx n LEU 50 Cb 0.35 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1fbx n LEU 50 CO 0.31 0.24 -0.17 0.59 -1.33 0.00 0.00 177.39 177.04 1fbx n ASN 51 N -0.01 -4.36 -4.79 -1.43 3.02 -0.31 -5.00 115.26 102.39 1fbx n ASN 51 Ca 0.16 0.08 -0.39 0.00 -0.03 0.00 0.00 54.58 54.40 1fbx n ASN 51 Cb 0.26 -3.42 -0.06 0.00 -0.61 0.00 0.00 39.78 35.95 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 -3.77 4.58 -0.98 3.41 1.43 -0.97 -4.98 118.68 117.40 1fbx s LEU 52 Ca 0.00 1.54 -0.23 0.00 -1.03 0.00 0.00 54.13 54.41 1fbx s LEU 52 Cb 0.00 -3.18 0.05 0.00 0.03 0.00 0.00 46.19 43.09 1fbx s LEU 52 CO 0.00 0.23 1.40 -0.62 0.23 0.00 0.00 176.35 177.59 1fbx s ASP 53 N -1.14 6.47 0.00 2.29 -1.08 -1.26 -4.65 116.67 117.30 1fbx s ASP 53 Ca 0.34 -1.38 0.05 0.00 -0.52 0.00 0.00 52.55 51.04 1fbx s ASP 53 Cb -0.22 -2.55 0.28 0.00 -1.46 0.00 0.00 42.92 38.96 1fbx s ASP 53 CO 0.24 -1.51 0.91 0.18 0.52 0.00 0.00 175.17 175.51 1fbx n LEU 54 N 8.76 0.00 0.04 -1.34 4.77 -1.26 -1.23 117.00 126.74 1fbx n LEU 54 Ca 0.29 0.17 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 1fbx n LEU 54 Cb 0.51 -0.17 0.52 0.00 -2.33 0.00 0.00 43.42 41.95 1fbx n LEU 54 CO 0.65 -0.14 0.91 0.00 -1.33 0.00 0.00 177.39 177.49 1fbx n ALA 55 N -1.17 2.22 -1.77 -1.18 0.00 -1.26 -3.93 120.51 113.43 1fbx n ALA 55 Ca 0.03 -0.06 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 1fbx n ALA 55 Cb 0.03 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 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 -3.57 6.64 0.62 0.00 2.15 -0.37 -4.89 116.67 117.25 1fbx s ASP 56 Ca 0.12 2.48 0.39 0.00 0.43 0.00 0.00 52.55 55.97 1fbx s ASP 56 Cb 0.15 -2.63 1.99 0.00 -0.30 0.00 0.00 42.92 42.14 1fbx s ASP 56 CO 0.52 -0.60 2.22 -2.24 -0.17 0.00 0.00 175.17 174.90 1fbx h ASP 57 N 2.99 0.00 0.28 -0.34 2.03 -1.90 -0.50 116.42 118.98 1fbx h ASP 57 Ca -0.49 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.48 1fbx h ASP 57 Cb 1.23 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.70 1fbx h ASP 57 CO 0.64 0.01 -1.87 -0.24 -1.03 0.00 0.00 179.24 176.75 1fbx n SER 58 N -3.15 1.64 0.04 4.15 2.88 -1.26 -4.22 113.62 113.70 1fbx n SER 58 Ca -0.02 0.30 0.12 0.00 -1.33 0.00 0.00 58.87 57.95 1fbx n SER 58 Cb 0.16 -0.56 0.24 0.00 -0.75 0.00 0.00 64.21 63.30 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 -3.31 0.58 -0.08 2.46 4.77 -1.07 -4.30 117.00 116.04 1fbx n LEU 59 Ca -0.26 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 1fbx n LEU 59 Cb 1.05 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1fbx n LEU 59 CO 0.44 0.01 0.74 -0.03 -1.33 0.00 0.00 177.39 177.22 1fbx h MET 60 N 0.00 -0.13 -0.02 3.23 4.05 -1.21 -2.70 114.93 118.16 1fbx h MET 60 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1fbx h MET 60 Cb 0.64 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 1fbx h MET 60 CO 0.00 -0.08 0.00 0.39 0.23 0.00 0.00 176.91 177.45 1fbx n GLU 61 N -5.35 1.58 -0.12 0.39 -0.58 -1.26 -4.51 120.64 110.79 1fbx n GLU 61 Ca 0.01 -0.84 -0.06 0.00 -0.42 0.00 0.00 57.16 55.85 1fbx n GLU 61 Cb 0.26 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 29.67 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 2.03 0.95 -0.03 2.62 2.02 -1.70 -0.33 112.91 118.47 1fbx h THR 62 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1fbx h THR 62 Cb 0.43 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1fbx h THR 62 CO 0.00 0.07 -0.05 -0.65 0.37 0.00 0.00 175.52 175.26 1fbx h PRO 63 N 0.37 0.03 0.03 6.66 0.11 -1.79 0.11 132.00 137.53 1fbx h PRO 63 Ca 0.17 -0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.05 1fbx h PRO 63 Cb 0.11 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1fbx h PRO 63 CO -0.14 0.09 -1.09 1.25 -0.21 0.00 0.00 178.00 177.90 1fbx h HIS 64 N 0.03 0.12 -0.18 0.65 2.76 -1.70 -2.39 115.15 114.45 1fbx h HIS 64 Ca 0.01 -0.09 -0.11 0.00 -2.20 0.00 0.00 60.37 57.98 1fbx h HIS 64 Cb 0.11 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1fbx h HIS 64 CO 0.00 1.07 -0.32 0.00 -1.30 0.00 0.00 177.93 177.39 1fbx h ARG 65 N 0.02 0.53 -0.55 5.26 3.08 -0.22 -2.34 114.38 120.16 1fbx h ARG 65 Ca -0.05 -0.33 0.03 0.00 0.07 0.00 0.00 59.98 59.69 1fbx h ARG 65 Cb 1.83 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.88 1fbx h ARG 65 CO 0.15 0.94 0.33 0.82 -1.07 0.00 0.00 179.97 181.14 1fbx h ILE 66 N 0.18 1.06 -0.22 2.04 2.04 -0.85 0.86 117.51 122.62 1fbx h ILE 66 Ca 0.01 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1fbx h ILE 66 Cb 0.91 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1fbx h ILE 66 CO 0.07 0.12 0.08 0.00 0.00 0.00 0.00 178.15 178.42 1fbx h ALA 67 N 1.25 0.24 -0.34 1.87 0.00 -1.42 0.85 119.26 121.72 1fbx h ALA 67 Ca 0.22 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1fbx h ALA 67 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1fbx h ALA 67 CO -0.10 -0.34 0.08 -0.22 0.00 0.00 0.00 179.25 178.67 1fbx h LYS 68 N 0.18 0.54 -0.24 0.00 3.64 -1.17 -2.30 116.57 117.22 1fbx h LYS 68 Ca 0.09 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1fbx h LYS 68 Cb 0.06 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1fbx h LYS 68 CO -0.10 0.60 0.10 1.98 -2.27 0.00 0.00 179.45 179.76 1fbx h MET 69 N 0.39 0.21 0.52 1.90 4.05 -0.54 0.11 114.93 121.57 1fbx h MET 69 Ca 0.11 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1fbx h MET 69 Cb 0.30 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1fbx h MET 69 CO 0.00 0.14 -0.33 1.88 0.23 0.00 0.00 176.91 178.83 1fbx h TYR 70 N 0.21 -0.86 -0.05 1.39 -1.99 -0.74 0.42 116.97 115.35 1fbx h TYR 70 Ca 0.10 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 1fbx h TYR 70 Cb 0.05 0.31 -0.00 0.00 2.00 0.00 0.00 36.73 39.09 1fbx h TYR 70 CO -0.11 -0.50 -0.08 0.28 -0.00 0.00 0.00 178.16 177.75 1fbx h VAL 71 N -0.80 1.40 0.00 -2.88 2.07 -1.40 -2.52 116.25 112.12 1fbx h VAL 71 Ca -0.06 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1fbx h VAL 71 Cb 0.66 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1fbx h VAL 71 CO 0.06 0.36 -0.51 0.47 0.02 0.00 0.00 177.57 177.97 1fbx n ASP 72 N -4.70 0.65 0.00 0.57 8.00 0.37 -4.03 116.55 117.41 1fbx n ASP 72 Ca -0.08 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1fbx n ASP 72 Cb 0.32 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 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 -2.01 0.00 0.11 -1.24 1.02 0.06 -4.71 120.64 113.88 1fbx n GLU 73 Ca 0.04 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.38 1fbx n GLU 73 Cb 0.42 0.00 0.76 0.00 -0.02 0.00 0.00 31.44 32.60 1fbx n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1fbx h ILE 74 N 0.00 0.41 -0.09 -3.67 3.07 -1.54 -1.66 117.51 114.03 1fbx h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1fbx h ILE 74 Cb 0.00 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 37.24 1fbx h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1fbx n PHE 75 N -3.76 0.21 0.28 0.16 3.72 -0.95 -2.67 117.46 114.45 1fbx n PHE 75 Ca 0.06 -0.72 0.16 0.00 -0.05 0.00 0.00 57.45 56.90 1fbx n PHE 75 Cb 0.56 -0.12 0.79 0.00 -0.94 0.00 0.00 39.48 39.77 1fbx n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1fbx h SER 76 N 0.57 0.00 0.00 4.37 4.64 -1.28 -2.22 113.55 119.64 1fbx h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fbx h SER 76 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1fbx h SER 76 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1fbx n GLY 77 N -0.80 -0.94 0.22 -0.77 0.00 -0.07 -2.76 105.19 100.08 1fbx n GLY 77 Ca -0.01 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1fbx n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fbx h LEU 78 N 0.00 0.00 -8.26 0.99 3.38 -1.50 -3.42 115.31 106.50 1fbx h LEU 78 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1fbx h LEU 78 Cb 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.46 1fbx h LEU 78 CO 0.00 0.00 -0.66 -0.62 0.09 0.00 0.00 178.44 177.25 1fbx s ASP 79 N -6.13 4.95 0.00 -0.43 2.15 -1.11 -4.97 116.67 111.13 1fbx s ASP 79 Ca 0.07 -0.89 0.10 0.00 0.43 0.00 0.00 52.55 52.25 1fbx s ASP 79 Cb 0.05 -1.81 0.60 0.00 -0.30 0.00 0.00 42.92 41.46 1fbx s ASP 79 CO 0.66 -0.21 1.03 -1.22 -0.17 0.00 0.00 175.17 175.26 1fbx n TYR 80 N 4.78 0.00 0.47 -5.34 4.02 -1.26 -0.78 117.16 119.05 1fbx n TYR 80 Ca -0.14 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.85 1fbx n TYR 80 Cb 0.47 0.00 0.44 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 n ALA 81 N -0.98 1.75 0.76 -0.72 0.00 -1.26 -2.36 120.51 117.69 1fbx n ALA 81 Ca 0.08 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1fbx n ALA 81 Cb 0.03 -1.36 0.13 0.00 0.00 0.00 0.00 19.45 18.26 1fbx n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1fbx n ASN 82 N -2.02 3.12 -4.74 0.00 3.02 0.04 -5.00 115.26 109.67 1fbx n ASN 82 Ca 0.03 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 1fbx n ASN 82 Cb 0.24 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 1fbx n ASN 82 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1fbx n PHE 83 N 1.37 2.75 -1.27 3.10 7.35 -1.00 -4.96 117.46 124.81 1fbx n PHE 83 Ca 0.15 0.40 -0.33 0.00 -0.76 0.00 0.00 57.45 56.92 1fbx n PHE 83 Cb 0.59 -2.53 0.10 0.00 0.35 0.00 0.00 39.48 38.00 1fbx n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1fbx s PRO 84 N -1.35 2.00 -0.22 -7.13 0.04 -1.26 -4.96 135.00 122.11 1fbx s PRO 84 Ca 0.59 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.87 1fbx s PRO 84 Cb -0.51 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1fbx s PRO 84 CO 0.57 -1.89 0.98 0.15 0.04 0.00 0.00 177.00 176.85 1fbx s LYS 85 N -4.33 4.26 0.05 4.56 1.02 -1.26 -4.94 119.74 119.09 1fbx s LYS 85 Ca 0.68 1.25 -0.16 0.00 0.02 0.00 0.00 55.97 57.76 1fbx s LYS 85 Cb -0.24 -3.63 -0.06 0.00 -0.52 0.00 0.00 37.83 33.38 1fbx s LYS 85 CO 0.50 -0.57 0.49 0.42 -0.92 0.00 0.00 175.35 175.27 1fbx s ILE 86 N 2.98 4.90 -0.06 2.17 -1.09 -1.26 -5.00 121.20 123.85 1fbx s ILE 86 Ca 0.42 0.98 0.04 0.00 -2.23 0.00 0.00 60.65 59.86 1fbx s ILE 86 Cb -0.15 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1fbx s ILE 86 CO 0.07 0.53 -0.16 0.42 -1.23 0.00 0.00 174.94 174.57 1fbx s THR 87 N -1.14 1.40 -0.24 2.92 -4.23 -1.26 -5.12 115.64 107.97 1fbx s THR 87 Ca 0.27 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 60.09 1fbx s THR 87 Cb -0.18 -1.22 0.08 0.00 1.34 0.00 0.00 72.50 72.52 1fbx s THR 87 CO 0.16 0.41 0.06 -0.76 -0.54 0.00 0.00 174.62 173.96 1fbx s LEU 88 N 0.27 1.41 0.79 4.79 1.43 -1.26 -2.89 118.68 123.22 1fbx s LEU 88 Ca -0.09 -1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 51.77 1fbx s LEU 88 Cb -0.14 -0.65 0.07 0.00 0.03 0.00 0.00 46.19 45.51 1fbx s LEU 88 CO 0.03 -0.35 1.12 0.27 0.23 0.00 0.00 176.35 177.65 1fbx s ILE 89 N 1.82 2.76 0.05 -0.59 -4.36 -1.00 -4.80 121.20 115.09 1fbx s ILE 89 Ca 0.03 0.25 -0.29 0.00 -0.26 0.00 0.00 60.65 60.38 1fbx s ILE 89 Cb -0.17 -3.13 -0.05 0.00 1.25 0.00 0.00 42.46 40.37 1fbx s ILE 89 CO -0.17 -0.32 0.92 -0.70 0.24 0.00 0.00 174.94 174.91 1fbx s GLU 90 N -5.33 4.60 -1.08 0.37 2.12 -1.26 -1.65 118.70 116.47 1fbx s GLU 90 Ca 0.61 1.34 -0.16 0.00 0.36 0.00 0.00 54.97 57.12 1fbx s GLU 90 Cb -0.13 -3.41 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 1fbx s GLU 90 CO 0.52 0.13 2.13 -1.71 -0.54 0.00 0.00 175.26 175.79 1fbx n ASN 91 N 3.23 3.77 0.09 -1.70 5.15 0.55 -4.55 115.26 121.80 1fbx n ASN 91 Ca 0.03 -2.68 -0.17 0.00 -0.60 0.00 0.00 54.58 51.16 1fbx n ASN 91 Cb 0.50 -1.33 -0.10 0.00 -0.53 0.00 0.00 39.78 38.32 1fbx n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1fbx h LYS 92 N 6.83 0.41 0.00 1.20 1.57 -1.92 -3.11 116.57 121.55 1fbx h LYS 92 Ca 0.52 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1fbx h LYS 92 Cb 0.56 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1fbx h LYS 92 CO 1.86 1.22 0.05 -1.33 -0.57 0.00 0.00 179.45 180.69 1fbx n MET 93 N -3.68 0.02 -3.68 3.15 2.81 -1.26 -4.81 117.12 109.68 1fbx n MET 93 Ca -0.09 0.48 -0.24 0.00 -1.81 0.00 0.00 57.70 56.04 1fbx n MET 93 Cb 0.95 -1.63 0.06 0.00 -0.71 0.00 0.00 33.22 31.89 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 -1.59 -6.65 -1.92 0.03 5.02 -1.18 -4.90 118.16 106.97 1fbx n LYS 94 Ca -0.00 0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 56.60 1fbx n LYS 94 Cb 0.06 -5.68 -0.03 0.00 -0.02 0.00 0.00 35.03 29.37 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 -3.37 3.08 -0.02 -0.18 1.01 -1.26 -4.88 120.40 114.78 1fbx s VAL 95 Ca 0.43 0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.93 1fbx s VAL 95 Cb -0.20 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 32.91 1fbx s VAL 95 CO 0.77 -0.01 0.87 -0.90 0.00 0.00 0.00 175.10 175.83 1fbx n ASP 96 N 5.81 1.21 -4.44 3.32 5.75 -1.26 -4.59 116.55 122.35 1fbx n ASP 96 Ca 0.16 -1.86 -0.28 0.00 -0.01 0.00 0.00 54.79 52.79 1fbx n ASP 96 Cb 0.41 -0.09 -0.12 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.87 1.60 0.67 0.11 0.41 -1.26 -5.00 118.70 114.35 1fbx s GLU 97 Ca 0.05 -1.34 -0.17 0.00 -0.41 0.00 0.00 54.97 53.10 1fbx s GLU 97 Cb 0.04 -1.97 -0.02 0.00 -1.78 0.00 0.00 34.13 30.41 1fbx s GLU 97 CO 0.00 0.44 1.03 0.00 -0.49 0.00 0.00 175.26 176.25 1fbx n MET 98 N 0.63 0.75 -4.71 1.61 0.00 -1.26 -4.68 117.12 109.47 1fbx n MET 98 Ca -0.15 0.31 -0.33 0.00 0.00 0.00 0.00 57.70 57.53 1fbx n MET 98 Cb 0.54 -2.26 -0.14 0.00 0.00 0.00 0.00 33.22 31.36 1fbx n MET 98 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1fbx s VAL 99 N -1.62 3.23 -0.14 3.17 1.01 -0.05 -4.95 120.40 121.04 1fbx s VAL 99 Ca 0.76 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1fbx s VAL 99 Cb -0.38 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.67 1fbx s VAL 99 CO 0.47 0.53 -0.11 -0.89 0.00 0.00 0.00 175.10 175.09 1fbx s THR 100 N 0.23 1.37 -0.30 3.92 2.01 -1.26 -1.80 115.64 119.82 1fbx s THR 100 Ca -0.07 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 1fbx s THR 100 Cb -0.15 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1fbx s THR 100 CO 0.05 0.38 0.15 -0.69 -0.69 0.00 0.00 174.62 173.82 1fbx s VAL 101 N 1.56 4.70 0.18 3.82 1.01 0.78 -4.98 120.40 127.47 1fbx s VAL 101 Ca 0.04 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1fbx s VAL 101 Cb -0.13 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1fbx s VAL 101 CO -0.10 0.14 -0.01 0.00 0.00 0.00 0.00 175.10 175.13 1fbx s ARG 102 N 1.64 2.35 -1.39 2.72 1.70 -1.26 -0.36 118.95 124.36 1fbx s ARG 102 Ca 0.05 -1.15 -0.10 0.00 -0.47 0.00 0.00 55.73 54.07 1fbx s ARG 102 Cb -0.17 -2.32 0.03 0.00 -0.57 0.00 0.00 34.95 31.92 1fbx s ARG 102 CO 0.07 0.45 1.14 -0.25 -1.08 0.00 0.00 175.30 175.62 1fbx n ASP 103 N -0.15 -5.90 -4.70 -2.89 8.00 -0.52 -4.94 116.55 105.45 1fbx n ASP 103 Ca -0.10 -0.60 -0.42 0.00 0.71 0.00 0.00 54.79 54.39 1fbx n ASP 103 Cb 0.55 -4.78 -0.03 0.00 -0.02 0.00 0.00 41.12 36.84 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 -3.32 2.79 0.08 0.53 1.01 0.11 -4.70 121.20 117.71 1fbx s ILE 104 Ca 0.59 0.38 -0.31 0.00 0.00 0.00 0.00 60.65 61.31 1fbx s ILE 104 Cb -0.27 -3.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.88 1fbx s ILE 104 CO 0.75 0.01 1.60 -0.89 0.00 0.00 0.00 174.94 176.41 1fbx s THR 105 N 2.16 3.03 -0.11 2.92 2.01 -1.26 -0.34 115.64 124.05 1fbx s THR 105 Ca 0.74 0.55 -0.02 0.00 0.31 0.00 0.00 61.69 63.27 1fbx s THR 105 Cb -0.42 -3.36 0.04 0.00 0.01 0.00 0.00 72.50 68.77 1fbx s THR 105 CO 0.33 0.01 0.01 -0.22 -0.69 0.00 0.00 174.62 174.05 1fbx s LEU 106 N 2.26 0.80 -0.18 4.42 0.20 -0.87 -4.83 118.68 120.47 1fbx s LEU 106 Ca 0.72 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 55.21 1fbx s LEU 106 Cb -0.40 -0.51 0.03 0.00 -0.43 0.00 0.00 46.19 44.88 1fbx s LEU 106 CO 0.31 -0.23 -0.15 0.42 -0.29 0.00 0.00 176.35 176.41 1fbx s THR 107 N 1.93 1.83 0.00 3.68 -4.23 -1.26 -0.38 115.64 117.21 1fbx s THR 107 Ca 0.03 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1fbx s THR 107 Cb -0.14 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1fbx s THR 107 CO -0.06 0.40 0.00 -0.24 -0.54 0.00 0.00 174.62 174.17 1fbx n SER 108 N 4.67 1.30 -3.89 3.99 2.88 0.59 -4.62 113.62 118.53 1fbx n SER 108 Ca -0.18 -0.24 -0.16 0.00 -1.33 0.00 0.00 58.87 56.96 1fbx n SER 108 Cb 0.49 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.10 0.28 0.39 2.46 2.01 -1.26 -0.89 115.64 118.53 1fbx s THR 109 Ca 0.00 -0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.69 1fbx s THR 109 Cb 0.00 -0.29 -0.10 0.00 0.01 0.00 0.00 72.50 72.12 1fbx s THR 109 CO 0.00 0.12 1.00 0.00 -0.69 0.00 0.00 174.62 175.05 1fbx n GLU 111 N -0.05 1.11 -0.02 0.00 0.28 -0.85 0.06 120.64 121.17 1fbx n GLU 111 Ca 0.05 -0.40 -0.09 0.00 -0.16 0.00 0.00 57.16 56.56 1fbx n GLU 111 Cb 0.51 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.74 1fbx n GLU 111 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1fbx n HIS 112 N -0.60 1.01 -0.98 -1.84 8.25 -1.26 -4.56 115.22 115.24 1fbx n HIS 112 Ca 0.19 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1fbx n HIS 112 Cb 0.25 -1.19 0.00 0.00 1.12 0.00 0.00 29.99 30.17 1fbx n HIS 112 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1fbx n HIS 113 N -3.05 0.00 -2.96 4.41 8.25 -1.24 -5.02 115.22 115.60 1fbx n HIS 113 Ca -0.17 -0.01 -0.20 0.00 -0.26 0.00 0.00 57.72 57.08 1fbx n HIS 113 Cb 1.05 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.17 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 -0.01 -1.70 -3.99 4.41 3.01 0.11 -4.95 117.46 114.34 1fbx n PHE 114 Ca 0.00 0.34 -0.26 0.00 1.01 0.00 0.00 57.45 58.54 1fbx n PHE 114 Cb 0.46 -3.54 -0.04 0.00 -0.01 0.00 0.00 39.48 36.35 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 -2.96 5.02 0.26 -4.37 1.01 -1.23 -4.81 120.40 113.32 1fbx s VAL 115 Ca 0.24 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1fbx s VAL 115 Cb -0.12 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.55 1fbx s VAL 115 CO 0.30 -0.09 1.33 0.41 0.00 0.00 0.00 175.10 177.05 1fbx n THR 116 N -0.45 1.23 -4.06 3.92 -1.04 -1.26 -0.92 114.28 111.70 1fbx n THR 116 Ca -0.07 -0.31 -0.32 0.00 -2.04 0.00 0.00 64.05 61.31 1fbx n THR 116 Cb 0.54 -1.39 -0.16 0.00 -1.82 0.00 0.00 70.33 67.50 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 -0.35 1.98 -0.18 12.58 1.01 -0.07 -1.60 121.20 134.58 1fbx s ILE 117 Ca 0.65 -1.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 1fbx s ILE 117 Cb -0.66 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 1fbx s ILE 117 CO 0.53 0.20 -0.10 -0.62 0.00 0.00 0.00 174.94 174.95 1fbx s ASP 118 N 1.24 4.05 0.00 3.58 2.15 -0.58 -0.30 116.67 126.81 1fbx s ASP 118 Ca -0.03 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.56 1fbx s ASP 118 Cb -0.17 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 1fbx s ASP 118 CO -0.08 0.05 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 1fbx n GLY 119 N 4.28 2.96 3.00 2.66 0.00 0.49 -0.92 105.19 117.66 1fbx n GLY 119 Ca -0.19 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.45 0.42 0.09 1.61 3.01 -0.42 -2.06 119.74 121.94 1fbx s LYS 120 Ca 0.00 -0.47 0.10 0.00 -1.01 0.00 0.00 55.97 54.59 1fbx s LYS 120 Cb 0.00 -0.26 -0.04 0.00 -1.01 0.00 0.00 37.83 36.52 1fbx s LYS 120 CO 0.00 0.06 -0.26 0.00 0.51 0.00 0.00 175.35 175.66 1fbx s ALA 121 N -0.81 2.36 -0.13 5.17 0.00 0.54 -1.68 121.76 127.22 1fbx s ALA 121 Ca -0.05 -1.37 -0.00 0.00 0.00 0.00 0.00 51.96 50.53 1fbx s ALA 121 Cb -0.06 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1fbx s ALA 121 CO -0.00 0.54 -0.08 0.99 0.00 0.00 0.00 175.76 177.21 1fbx s THR 122 N -0.96 1.10 -0.05 0.00 2.01 0.18 0.09 115.64 118.01 1fbx s THR 122 Ca 0.13 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 61.81 1fbx s THR 122 Cb -0.10 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 1fbx s THR 122 CO 0.05 0.34 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.40 1fbx s VAL 123 N 1.67 1.89 0.04 3.82 1.01 0.52 -1.22 120.40 128.13 1fbx s VAL 123 Ca 0.04 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1fbx s VAL 123 Cb -0.13 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1fbx s VAL 123 CO -0.08 0.53 -0.06 0.00 0.00 0.00 0.00 175.10 175.48 1fbx s ALA 124 N -0.20 0.48 0.10 5.51 0.00 -0.61 -0.16 121.76 126.87 1fbx s ALA 124 Ca -0.01 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 1fbx s ALA 124 Cb -0.12 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1fbx s ALA 124 CO 0.02 -0.09 0.30 1.52 0.00 0.00 0.00 175.76 177.51 1fbx s TYR 125 N -1.66 -0.03 -0.34 0.00 1.13 -0.74 -0.26 117.35 115.43 1fbx s TYR 125 Ca -0.09 -0.32 -0.03 0.00 -1.41 0.00 0.00 57.07 55.22 1fbx s TYR 125 Cb -0.08 0.10 0.07 0.00 -1.10 0.00 0.00 41.96 40.94 1fbx s TYR 125 CO -0.01 -0.61 0.08 0.42 -2.51 0.00 0.00 175.55 172.92 1fbx s ILE 126 N -3.72 3.23 0.12 -3.49 1.01 -0.63 -0.87 121.20 116.85 1fbx s ILE 126 Ca 0.03 -1.55 -0.35 0.00 0.00 0.00 0.00 60.65 58.78 1fbx s ILE 126 Cb 0.03 -2.97 -0.16 0.00 0.01 0.00 0.00 42.46 39.37 1fbx s ILE 126 CO -0.11 -0.31 1.26 -2.65 0.00 0.00 0.00 174.94 173.14 1fbx n PRO 127 N 4.65 1.14 0.00 2.79 -0.02 -1.26 -4.84 135.00 137.47 1fbx n PRO 127 Ca -0.10 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1fbx n PRO 127 Cb 0.43 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.18 0.00 -0.04 -0.52 4.81 -1.26 -4.78 118.16 118.55 1fbx n LYS 128 Ca 0.17 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.43 1fbx n LYS 128 Cb 0.21 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.13 1fbx n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1fbx n ASP 129 N 0.00 1.71 -4.82 3.14 8.00 -1.26 -4.78 116.55 118.54 1fbx n ASP 129 Ca 0.00 0.15 -0.25 0.00 0.71 0.00 0.00 54.79 55.40 1fbx n ASP 129 Cb 0.00 -0.48 -0.05 0.00 -0.02 0.00 0.00 41.12 40.57 1fbx n ASP 129 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1fbx s SER 130 N -6.64 5.62 -0.22 -2.24 0.01 -1.26 -0.33 113.70 108.63 1fbx s SER 130 Ca -0.21 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 56.91 1fbx s SER 130 Cb 0.07 -1.49 0.06 0.00 0.21 0.00 0.00 66.02 64.88 1fbx s SER 130 CO 0.75 0.04 0.01 -0.69 0.41 0.00 0.00 173.24 173.76 1fbx s VAL 131 N -1.84 0.94 0.55 3.43 1.01 -0.66 -4.76 120.40 119.07 1fbx s VAL 131 Ca 0.32 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1fbx s VAL 131 Cb -0.10 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1fbx s VAL 131 CO 0.24 -0.22 1.12 -0.51 0.00 0.00 0.00 175.10 175.73 1fbx s ILE 132 N 1.66 3.23 0.55 2.22 2.07 -1.26 -2.36 121.20 127.30 1fbx s ILE 132 Ca -0.02 0.74 -0.21 0.00 -1.41 0.00 0.00 60.65 59.76 1fbx s ILE 132 Cb -0.18 -3.28 -0.05 0.00 0.13 0.00 0.00 42.46 39.08 1fbx s ILE 132 CO -0.09 -0.19 1.28 -0.83 -1.91 0.00 0.00 174.94 173.19 1fbx s GLY 133 N -1.90 2.83 0.05 1.50 0.00 -1.14 -4.94 107.32 103.72 1fbx s GLY 133 Ca 0.72 1.16 -0.32 0.00 0.00 0.00 0.00 44.72 46.28 1fbx s GLY 133 CO 0.28 1.63 1.44 1.41 0.00 0.00 0.00 173.10 177.86 1fbx h LEU 134 N 1.35 -0.98 -1.87 0.66 3.38 -1.95 -2.96 115.31 112.93 1fbx h LEU 134 Ca -0.50 0.03 0.26 0.00 0.09 0.00 0.00 57.88 57.76 1fbx h LEU 134 Cb 1.29 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.26 1fbx h LEU 134 CO 0.57 -0.68 0.76 0.77 0.09 0.00 0.00 178.44 179.95 1fbx h SER 135 N -1.20 0.00 -0.70 -0.43 4.64 -2.01 0.07 113.55 113.91 1fbx h SER 135 Ca -0.12 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1fbx h SER 135 Cb 0.89 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.93 1fbx h SER 135 CO 0.20 0.00 0.42 0.11 -0.87 0.00 0.00 176.83 176.68 1fbx h LYS 136 N 0.00 0.77 -0.85 4.77 1.79 -1.90 -0.27 116.57 120.88 1fbx h LYS 136 Ca 0.43 -0.05 0.12 0.00 -2.18 0.00 0.00 60.65 58.97 1fbx h LYS 136 Cb 1.95 -0.17 -0.08 0.00 -1.58 0.00 0.00 32.23 32.35 1fbx h LYS 136 CO -0.00 0.51 0.47 0.82 -1.08 0.00 0.00 179.45 180.16 1fbx h ILE 137 N 0.79 0.84 -0.76 1.86 2.04 -1.08 0.54 117.51 121.73 1fbx h ILE 137 Ca 0.30 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 1fbx h ILE 137 Cb 0.11 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 1fbx h ILE 137 CO -0.15 0.13 0.32 0.78 0.00 0.00 0.00 178.15 179.24 1fbx h ASN 138 N 0.74 1.04 -0.08 1.72 2.35 -1.15 -2.07 115.58 118.13 1fbx h ASN 138 Ca 0.43 -0.16 -0.18 0.00 -0.55 0.00 0.00 56.30 55.83 1fbx h ASN 138 Cb 0.49 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1fbx h ASN 138 CO -0.29 0.92 -0.62 0.03 -1.65 0.00 0.00 177.43 175.82 1fbx h ARG 139 N 1.10 0.69 -0.21 0.81 3.08 0.17 -2.08 114.38 117.94 1fbx h ARG 139 Ca 0.26 -0.48 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1fbx h ARG 139 Cb 0.19 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1fbx h ARG 139 CO -0.02 1.10 0.02 0.82 -1.07 0.00 0.00 179.97 180.81 1fbx h ILE 140 N 0.51 1.24 -0.35 2.04 2.04 0.07 -1.51 117.51 121.55 1fbx h ILE 140 Ca -0.01 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.10 1fbx h ILE 140 Cb 1.21 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1fbx h ILE 140 CO 0.12 0.25 0.10 0.58 0.00 0.00 0.00 178.15 179.20 1fbx h VAL 141 N 0.13 0.86 0.00 1.67 2.07 -1.35 -0.58 116.25 119.05 1fbx h VAL 141 Ca 0.06 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1fbx h VAL 141 Cb 0.35 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1fbx h VAL 141 CO 0.01 0.04 0.00 1.56 0.02 0.00 0.00 177.57 179.20 1fbx h GLN 142 N 0.23 0.00 0.17 1.57 1.08 -1.29 -2.87 115.11 114.00 1fbx h GLN 142 Ca 0.16 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1fbx h GLN 142 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1fbx h GLN 142 CO -0.19 0.00 -0.08 0.35 -0.95 0.00 0.00 178.83 177.96 1fbx h PHE 143 N 0.00 -0.21 0.00 2.96 3.57 -0.01 -2.87 116.94 120.38 1fbx h PHE 143 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1fbx h PHE 143 Cb 0.40 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1fbx h PHE 143 CO 0.00 0.14 0.00 0.74 -2.23 0.00 0.00 178.31 176.96 1fbx h PHE 144 N -0.59 0.00 0.00 0.41 0.04 -1.49 -2.92 116.94 112.39 1fbx h PHE 144 Ca -0.02 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.59 1fbx h PHE 144 Cb 0.44 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 1fbx h PHE 144 CO 0.04 0.00 -0.74 0.00 -0.60 0.00 0.00 178.31 177.01 1fbx h ALA 145 N 2.27 0.61 -0.07 2.45 0.00 -1.44 -3.33 119.26 119.74 1fbx h ALA 145 Ca 0.00 -0.67 -0.68 0.00 0.00 0.00 0.00 54.91 53.56 1fbx h ALA 145 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1fbx h ALA 145 CO 0.00 0.92 3.59 1.04 0.00 0.00 0.00 179.25 184.80 1fbx n GLN 146 N -3.41 3.63 -3.47 0.00 1.13 -1.09 -4.15 117.38 110.02 1fbx n GLN 146 Ca 0.00 -2.40 -0.14 0.00 -1.94 0.00 0.00 57.00 52.53 1fbx n GLN 146 Cb 0.78 -2.87 -0.03 0.00 0.11 0.00 0.00 30.24 28.23 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 2.04 1.19 -0.32 -1.09 0.52 -1.09 -0.89 118.95 119.31 1fbx s ARG 147 Ca 0.64 -0.27 -0.29 0.00 -0.52 0.00 0.00 55.73 55.29 1fbx s ARG 147 Cb 0.17 0.55 -0.01 0.00 0.52 0.00 0.00 34.95 36.19 1fbx s ARG 147 CO -0.07 -0.48 1.48 -2.14 0.02 0.00 0.00 175.30 174.12 1fbx s PRO 148 N -2.98 3.69 0.52 3.54 0.02 -1.26 -3.98 135.00 134.55 1fbx s PRO 148 Ca -0.03 1.27 0.03 0.00 0.02 0.00 0.00 61.00 62.30 1fbx s PRO 148 Cb -0.01 -4.01 0.00 0.00 0.02 0.00 0.00 34.50 30.51 1fbx s PRO 148 CO -0.06 -1.41 0.17 -0.65 -0.33 0.00 0.00 177.00 174.71 1fbx s GLN 149 N 4.75 2.22 -0.05 5.54 -1.52 -0.26 -4.66 119.66 125.68 1fbx s GLN 149 Ca 0.65 -2.22 -0.01 0.00 -1.95 0.00 0.00 55.36 51.83 1fbx s GLN 149 Cb -0.19 -1.78 0.03 0.00 -0.22 0.00 0.00 33.01 30.86 1fbx s GLN 149 CO 0.29 -0.44 0.02 0.08 -0.25 0.00 0.00 175.29 174.99 1fbx s VAL 150 N -2.82 0.19 0.41 1.09 1.01 -1.26 -2.01 120.40 117.00 1fbx s VAL 150 Ca 0.19 0.21 0.20 0.00 0.00 0.00 0.00 61.98 62.58 1fbx s VAL 150 Cb 0.00 -0.36 0.40 0.00 0.00 0.00 0.00 36.38 36.43 1fbx s VAL 150 CO 0.11 0.21 1.76 -0.61 0.00 0.00 0.00 175.10 176.57 1fbx h GLN 151 N 8.14 0.34 -0.57 2.72 4.15 -1.98 0.38 115.11 128.29 1fbx h GLN 151 Ca -0.22 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.10 1fbx h GLN 151 Cb 1.13 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 1fbx h GLN 151 CO 0.27 0.22 0.05 0.93 -1.93 0.00 0.00 178.83 178.37 1fbx h GLU 152 N 0.35 0.95 0.12 1.69 3.07 -2.00 -2.18 114.58 116.58 1fbx h GLU 152 Ca 0.61 -0.26 -0.29 0.00 -0.50 0.00 0.00 59.36 58.92 1fbx h GLU 152 Cb 1.63 -0.11 0.03 0.00 -0.84 0.00 0.00 28.75 29.46 1fbx h GLU 152 CO -0.30 0.91 -1.23 -0.09 -1.40 0.00 0.00 179.01 176.90 1fbx h ARG 153 N 0.88 0.61 -0.85 2.33 2.43 -0.72 -3.17 114.38 115.90 1fbx h ARG 153 Ca 0.17 -0.82 0.06 0.00 -0.81 0.00 0.00 59.98 58.58 1fbx h ARG 153 Cb 0.46 0.27 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 1fbx h ARG 153 CO 0.02 1.38 0.55 1.25 -1.51 0.00 0.00 179.97 181.66 1fbx h LEU 154 N 0.25 0.84 -0.30 3.80 5.85 -1.13 0.75 115.31 125.37 1fbx h LEU 154 Ca -0.19 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1fbx h LEU 154 Cb 1.90 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 1fbx h LEU 154 CO 0.23 0.55 0.02 0.74 -0.34 0.00 0.00 178.44 179.64 1fbx h THR 155 N 0.96 1.25 -0.53 1.05 2.02 -1.44 -2.68 112.91 113.54 1fbx h THR 155 Ca 0.36 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 1fbx h THR 155 Cb 0.18 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1fbx h THR 155 CO -0.13 0.29 0.22 1.56 0.37 0.00 0.00 175.52 177.84 1fbx h GLN 156 N 0.32 0.78 -0.02 6.66 1.08 -1.34 -2.62 115.11 119.97 1fbx h GLN 156 Ca 0.09 -0.13 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1fbx h GLN 156 Cb 0.41 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1fbx h GLN 156 CO 0.01 0.68 -0.07 1.96 -0.95 0.00 0.00 178.83 180.46 1fbx h GLN 157 N 0.71 -0.11 -0.43 1.46 4.20 -0.82 -1.34 115.11 118.79 1fbx h GLN 157 Ca 0.18 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.97 1fbx h GLN 157 Cb 0.18 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 1fbx h GLN 157 CO -0.02 -0.07 0.06 0.82 -0.67 0.00 0.00 178.83 178.95 1fbx h ILE 158 N -0.12 0.74 0.36 2.54 2.04 -1.42 0.16 117.51 121.82 1fbx h ILE 158 Ca 0.04 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1fbx h ILE 158 Cb 0.16 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1fbx h ILE 158 CO -0.09 0.03 -0.38 0.25 0.00 0.00 0.00 178.15 177.97 1fbx h LEU 159 N 0.18 -1.04 -0.62 1.44 5.85 -1.09 -0.82 115.31 119.22 1fbx h LEU 159 Ca 0.21 0.08 0.13 0.00 0.84 0.00 0.00 57.88 59.14 1fbx h LEU 159 Cb 0.28 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 41.55 1fbx h LEU 159 CO -0.30 -0.49 0.05 0.40 -0.34 0.00 0.00 178.44 177.76 1fbx h ILE 160 N -0.74 0.54 -0.39 4.05 1.08 -1.04 0.57 117.51 121.58 1fbx h ILE 160 Ca -0.05 -0.06 0.03 0.00 -0.39 0.00 0.00 64.86 64.39 1fbx h ILE 160 Cb 0.65 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 1fbx h ILE 160 CO -0.05 0.03 0.20 0.00 -0.69 0.00 0.00 178.15 177.63 1fbx h ALA 161 N 1.54 0.48 -0.08 1.87 0.00 -0.44 -1.57 119.26 121.06 1fbx h ALA 161 Ca 0.33 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 1fbx h ALA 161 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1fbx h ALA 161 CO -0.49 -0.16 -0.59 -0.07 0.00 0.00 0.00 179.25 177.94 1fbx h LEU 162 N 0.40 0.29 -0.25 0.00 3.38 -0.03 -1.39 115.31 117.71 1fbx h LEU 162 Ca 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1fbx h LEU 162 Cb 0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1fbx h LEU 162 CO -0.11 0.81 0.07 1.56 0.09 0.00 0.00 178.44 180.87 1fbx h GLN 163 N 0.19 0.39 0.73 1.13 4.20 -0.74 -0.37 115.11 120.64 1fbx h GLN 163 Ca -0.00 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1fbx h GLN 163 Cb 1.09 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1fbx h GLN 163 CO 0.09 0.47 -0.48 1.15 -0.67 0.00 0.00 178.83 179.39 1fbx h THR 164 N 0.24 0.04 0.00 -0.54 2.02 -1.12 -0.60 112.91 112.94 1fbx h THR 164 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1fbx h THR 164 Cb 0.25 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1fbx h THR 164 CO -0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 1fbx n LEU 165 N -5.61 0.09 -0.07 2.58 4.77 -0.54 -3.24 117.00 114.99 1fbx n LEU 165 Ca -0.14 0.53 -0.06 0.00 -0.03 0.00 0.00 56.01 56.31 1fbx n LEU 165 Cb 0.49 -0.53 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 1fbx n LEU 165 CO 0.34 -0.41 -0.97 0.18 -1.33 0.00 0.00 177.39 175.19 1fbx n LEU 166 N -1.61 0.00 0.00 2.23 4.77 -0.15 -5.00 117.00 117.24 1fbx n LEU 166 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1fbx n LEU 166 Cb 0.11 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1fbx n LEU 166 CO 0.09 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1fbx n GLY 167 N 1.96 0.55 3.28 -0.72 0.00 -0.28 -4.57 105.19 105.40 1fbx n GLY 167 Ca -0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 1fbx n GLY 167 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fbx s THR 168 N -2.07 1.05 -1.04 2.61 -4.23 -1.20 -4.98 115.64 105.77 1fbx s THR 168 Ca 0.00 -2.04 0.22 0.00 -1.18 0.00 0.00 61.69 58.69 1fbx s THR 168 Cb 0.00 -2.09 -0.18 0.00 1.34 0.00 0.00 72.50 71.57 1fbx s THR 168 CO 0.00 -0.53 0.99 0.59 -0.54 0.00 0.00 174.62 175.12 1fbx n ASN 169 N -0.30 0.96 -4.45 3.99 3.02 -1.26 -4.35 115.26 112.87 1fbx n ASN 169 Ca -0.08 -0.90 -0.39 0.00 -0.03 0.00 0.00 54.58 53.18 1fbx n ASN 169 Cb 0.62 0.86 -0.02 0.00 -0.61 0.00 0.00 39.78 40.64 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 -1.45 4.26 -3.84 6.41 3.02 -1.26 -1.27 115.26 121.14 1fbx n ASN 170 Ca 0.04 -2.85 -0.12 0.00 -0.03 0.00 0.00 54.58 51.63 1fbx n ASN 170 Cb 0.34 -1.71 -0.12 0.00 -0.61 0.00 0.00 39.78 37.67 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 5.83 0.01 0.01 2.41 1.01 -1.25 -1.60 120.40 126.82 1fbx s VAL 171 Ca 0.57 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.47 1fbx s VAL 171 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 1fbx s VAL 171 CO 0.08 -0.06 -0.12 0.00 0.00 0.00 0.00 175.10 174.99 1fbx s ALA 172 N -0.16 1.04 -0.02 5.51 0.00 0.64 -1.17 121.76 127.59 1fbx s ALA 172 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1fbx s ALA 172 Cb -0.02 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1fbx s ALA 172 CO 0.00 0.22 0.02 0.08 0.00 0.00 0.00 175.76 176.08 1fbx s VAL 173 N -0.54 -0.00 -0.04 0.00 1.01 -0.57 -1.57 120.40 118.69 1fbx s VAL 173 Ca 0.03 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1fbx s VAL 173 Cb -0.06 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.25 1fbx s VAL 173 CO 0.00 0.08 -0.02 -0.55 0.00 0.00 0.00 175.10 174.61 1fbx s SER 174 N 0.80 0.64 0.04 3.32 0.15 -0.36 -0.04 113.70 118.25 1fbx s SER 174 Ca -0.07 -0.07 0.08 0.00 0.70 0.00 0.00 55.95 56.60 1fbx s SER 174 Cb -0.10 -0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 63.87 1fbx s SER 174 CO -0.02 -0.08 -0.24 -0.63 1.20 0.00 0.00 173.24 173.46 1fbx s ILE 175 N 0.97 1.97 -0.09 6.45 1.01 0.87 -0.65 121.20 131.74 1fbx s ILE 175 Ca -0.10 -1.29 -0.01 0.00 0.00 0.00 0.00 60.65 59.24 1fbx s ILE 175 Cb -0.14 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.67 1fbx s ILE 175 CO -0.01 0.34 -0.00 -0.62 0.00 0.00 0.00 174.94 174.65 1fbx s ASP 176 N -1.14 1.76 0.20 3.58 2.15 -0.67 -0.89 116.67 121.65 1fbx s ASP 176 Ca 0.10 -0.17 -0.12 0.00 0.43 0.00 0.00 52.55 52.79 1fbx s ASP 176 Cb -0.10 -0.50 0.00 0.00 -0.30 0.00 0.00 42.92 42.03 1fbx s ASP 176 CO 0.02 -0.19 0.41 0.00 -0.17 0.00 0.00 175.17 175.23 1fbx s ALA 177 N 1.94 -0.30 -0.22 3.66 0.00 -0.13 -1.31 121.76 125.41 1fbx s ALA 177 Ca 0.05 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.22 1fbx s ALA 177 Cb -0.13 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 1fbx s ALA 177 CO -0.06 -0.76 -0.01 0.08 0.00 0.00 0.00 175.76 175.01 1fbx s VAL 178 N -3.97 3.74 -0.36 0.00 1.01 -0.10 -0.57 120.40 120.16 1fbx s VAL 178 Ca 0.18 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1fbx s VAL 178 Cb 0.01 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1fbx s VAL 178 CO 0.03 0.41 0.49 -1.00 0.00 0.00 0.00 175.10 175.03 1fbx s HIS 179 N 1.36 3.18 -0.18 5.22 3.76 -1.26 -1.53 115.29 125.83 1fbx s HIS 179 Ca 0.04 0.08 0.27 0.00 -0.15 0.00 0.00 55.06 55.30 1fbx s HIS 179 Cb -0.15 -2.91 1.26 0.00 1.11 0.00 0.00 32.58 31.89 1fbx s HIS 179 CO -0.00 -0.56 1.81 1.88 -0.85 0.00 0.00 174.74 177.03 1fbx h TYR 180 N 8.51 0.00 -0.00 1.40 -1.99 -1.60 -1.69 116.97 121.60 1fbx h TYR 180 Ca -0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.45 1fbx h TYR 180 Cb 1.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.85 1fbx h TYR 180 CO 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.87 1fbx n VAL 182 N -0.82 0.65 -0.00 0.00 0.31 -0.67 -4.48 118.33 113.31 1fbx n VAL 182 Ca 0.17 -0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 64.03 1fbx n VAL 182 Cb 0.09 -0.82 -0.14 0.00 -0.91 0.00 0.00 33.84 32.06 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 0.10 -0.47 5.55 3.64 -1.17 0.17 116.57 124.40 1fbx h LYS 183 Ca -0.25 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1fbx h LYS 183 Cb 1.51 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1fbx h LYS 183 CO -0.01 0.79 0.00 0.00 -2.27 0.00 0.00 179.45 177.96 1fbx n ALA 184 N -2.68 2.25 -3.61 5.00 0.00 0.15 -4.27 120.51 117.35 1fbx n ALA 184 Ca -0.20 -1.18 -0.04 0.00 0.00 0.00 0.00 53.44 52.01 1fbx n ALA 184 Cb 1.05 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.01 0.65 7.41 0.00 3.00 -1.25 -4.99 118.95 122.77 1fbx s ARG 185 Ca 0.31 -0.30 0.00 0.00 -1.00 0.00 0.00 55.73 54.74 1fbx s ARG 185 Cb 0.16 0.26 0.00 0.00 0.00 0.00 0.00 34.95 35.38 1fbx s ARG 185 CO 0.22 -0.29 0.00 0.41 0.00 0.00 0.00 175.30 175.63 1fbx n GLY 186 N -0.30 2.68 0.24 8.12 0.00 -1.26 -2.41 105.19 112.26 1fbx n GLY 186 Ca -0.05 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1fbx n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fbx h ILE 187 N 0.00 0.44 -5.99 -0.61 6.09 -1.87 -3.48 117.51 112.09 1fbx h ILE 187 Ca 0.00 -0.94 -0.39 0.00 -1.37 0.00 0.00 64.86 62.16 1fbx h ILE 187 Cb 0.00 1.68 0.10 0.00 0.47 0.00 0.00 36.82 39.06 1fbx h ILE 187 CO 0.00 0.17 -0.87 0.54 -3.07 0.00 0.00 178.15 174.92 1fbx n ARG 188 N -3.35 -3.27 -3.08 2.19 1.74 -0.92 -4.93 116.66 105.03 1fbx n ARG 188 Ca 0.00 0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 1fbx n ARG 188 Cb 0.39 -5.01 -0.06 0.00 -1.02 0.00 0.00 32.46 26.76 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 -3.90 6.46 0.01 0.55 -1.08 -0.00 -4.92 116.67 113.80 1fbx s ASP 189 Ca 0.24 0.21 0.29 0.00 -0.52 0.00 0.00 52.55 52.77 1fbx s ASP 189 Cb -0.06 -2.34 1.18 0.00 -1.46 0.00 0.00 42.92 40.24 1fbx s ASP 189 CO 0.81 -0.61 1.90 0.00 0.52 0.00 0.00 175.17 177.79 1fbx n ALA 190 N 6.10 2.38 -0.01 3.66 0.00 -1.26 -4.04 120.51 127.34 1fbx n ALA 190 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1fbx n ALA 190 Cb 0.48 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.55 0.16 -1.21 0.00 -2.24 -1.26 -5.07 114.28 103.12 1fbx n THR 191 Ca 0.07 -0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.41 1fbx n THR 191 Cb 0.35 -0.58 0.11 0.00 -2.10 0.00 0.00 70.33 68.10 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 -3.14 4.06 0.02 3.42 1.04 -1.26 -5.06 113.70 112.77 1fbx s SER 192 Ca -0.01 2.08 -0.14 0.00 0.48 0.00 0.00 55.95 58.36 1fbx s SER 192 Cb 0.01 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.60 1fbx s SER 192 CO 0.13 -2.34 0.30 0.00 0.98 0.00 0.00 173.24 172.31 1fbx s ALA 193 N -2.53 -0.69 -0.09 5.32 0.00 -1.26 -4.83 121.76 117.67 1fbx s ALA 193 Ca 0.67 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1fbx s ALA 193 Cb -0.22 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1fbx s ALA 193 CO 0.52 -0.35 -0.09 0.99 0.00 0.00 0.00 175.76 176.82 1fbx s THR 194 N -2.10 3.44 -0.13 0.00 2.01 0.26 -4.92 115.64 114.20 1fbx s THR 194 Ca -0.08 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1fbx s THR 194 Cb -0.02 -2.42 -0.00 0.00 0.01 0.00 0.00 72.50 70.06 1fbx s THR 194 CO -0.01 0.56 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.42 1fbx s THR 195 N -0.34 2.56 -0.02 -0.82 2.01 -1.26 -0.95 115.64 116.82 1fbx s THR 195 Ca 0.04 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.26 1fbx s THR 195 Cb -0.13 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 1fbx s THR 195 CO 0.02 0.53 -0.16 0.42 -0.69 0.00 0.00 174.62 174.75 1fbx s THR 196 N 0.57 1.24 0.02 -0.82 -4.23 -0.07 -5.00 115.64 107.37 1fbx s THR 196 Ca -0.10 -0.66 0.02 0.00 -1.18 0.00 0.00 61.69 59.77 1fbx s THR 196 Cb -0.16 -1.04 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 1fbx s THR 196 CO 0.04 0.35 -0.08 0.42 -0.54 0.00 0.00 174.62 174.81 1fbx s THR 197 N -0.28 0.60 -0.15 3.99 -4.23 -1.26 -0.09 115.64 114.22 1fbx s THR 197 Ca 0.04 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1fbx s THR 197 Cb -0.07 -0.58 0.02 0.00 1.34 0.00 0.00 72.50 73.21 1fbx s THR 197 CO -0.00 -0.12 -0.14 -0.44 -0.54 0.00 0.00 174.62 173.38 1fbx s SER 198 N -0.95 2.67 -0.12 3.99 0.01 0.95 -4.99 113.70 115.25 1fbx s SER 198 Ca -0.03 -0.48 -0.00 0.00 1.31 0.00 0.00 55.95 56.74 1fbx s SER 198 Cb -0.07 -1.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.97 1fbx s SER 198 CO 0.00 -0.06 -0.11 -0.76 0.41 0.00 0.00 173.24 172.73 1fbx s LEU 199 N 1.49 2.86 0.32 2.44 1.43 -1.26 -1.52 118.68 124.44 1fbx s LEU 199 Ca 0.05 -0.25 0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1fbx s LEU 199 Cb -0.13 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 1fbx s LEU 199 CO -0.11 0.20 -0.12 -0.83 0.23 0.00 0.00 176.35 175.72 1fbx s GLY 200 N 0.18 2.09 0.00 -3.19 0.00 -0.32 -4.51 107.32 101.57 1fbx s GLY 200 Ca -0.06 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 42.64 1fbx s GLY 200 CO 0.04 -2.00 0.00 0.61 0.00 0.00 0.00 173.10 171.75 1fbx n GLY 201 N -0.73 2.98 0.27 0.20 0.00 -0.39 -1.45 105.19 106.07 1fbx n GLY 201 Ca -0.05 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -1.60 0.99 3.38 -1.95 -0.75 115.31 115.39 1fbx h LEU 202 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1fbx h LEU 202 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1fbx h LEU 202 CO 0.00 0.08 -0.19 -0.26 0.09 0.00 0.00 178.44 178.16 1fbx h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.53 0.67 116.94 117.25 1fbx h PHE 203 Ca -0.00 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.48 1fbx h PHE 203 Cb 0.22 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 1fbx h PHE 203 CO 0.00 0.19 -1.68 1.17 -0.60 0.00 0.00 178.31 177.39 1fbx n LYS 204 N -3.65 0.56 -0.02 1.51 4.81 -0.38 -4.17 118.16 116.81 1fbx n LYS 204 Ca -0.01 0.43 -0.15 0.00 -0.87 0.00 0.00 58.31 57.71 1fbx n LYS 204 Cb 0.32 -1.63 -0.11 0.00 0.02 0.00 0.00 35.03 33.63 1fbx n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1fbx h SER 205 N -1.00 0.30 -3.46 3.14 4.64 -1.33 -3.44 113.55 112.39 1fbx h SER 205 Ca -0.44 -0.72 -0.58 0.00 -0.47 0.00 0.00 61.79 59.58 1fbx h SER 205 Cb 1.34 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 63.27 1fbx h SER 205 CO -0.27 0.97 0.76 -0.55 -0.87 0.00 0.00 176.83 176.87 1fbx s SER 206 N -6.35 6.77 0.21 4.97 0.15 0.22 -4.93 113.70 114.74 1fbx s SER 206 Ca -0.15 0.74 -0.10 0.00 0.70 0.00 0.00 55.95 57.14 1fbx s SER 206 Cb 0.02 -2.51 0.15 0.00 -1.71 0.00 0.00 66.02 61.97 1fbx s SER 206 CO 0.76 -0.94 1.83 -0.61 1.20 0.00 0.00 173.24 175.48 1fbx h GLN 207 N 8.47 1.04 -0.07 5.44 5.75 -1.86 0.20 115.11 134.07 1fbx h GLN 207 Ca -0.22 -0.11 0.03 0.00 -0.15 0.00 0.00 58.65 58.20 1fbx h GLN 207 Cb 1.07 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.37 1fbx h GLN 207 CO 1.03 0.76 -0.13 -0.97 -2.65 0.00 0.00 178.83 176.86 1fbx h ASN 208 N 1.04 -0.39 -0.34 -0.69 -1.24 -1.92 -1.59 115.58 110.44 1fbx h ASN 208 Ca 0.27 0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.32 1fbx h ASN 208 Cb 0.00 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1fbx h ASN 208 CO -0.05 -0.18 0.09 0.74 -1.29 0.00 0.00 177.43 176.75 1fbx h THR 209 N -0.19 1.22 -0.47 -3.57 2.02 -1.73 -2.00 112.91 108.19 1fbx h THR 209 Ca 0.07 -0.72 0.08 0.00 0.77 0.00 0.00 66.41 66.62 1fbx h THR 209 Cb 0.28 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 1fbx h THR 209 CO -0.18 0.24 0.05 -0.09 0.37 0.00 0.00 175.52 175.91 1fbx h ARG 210 N 0.40 0.17 0.00 6.66 2.43 -0.36 -1.13 114.38 122.55 1fbx h ARG 210 Ca 0.11 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1fbx h ARG 210 Cb 0.28 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1fbx h ARG 210 CO -0.00 0.11 0.00 0.45 -1.51 0.00 0.00 179.97 179.02 1fbx h HIS 211 N 0.17 0.00 -0.32 2.20 3.86 -1.22 -1.41 115.15 118.43 1fbx h HIS 211 Ca 0.24 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.32 1fbx h HIS 211 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1fbx h HIS 211 CO -0.26 0.00 -0.32 0.93 0.86 0.00 0.00 177.93 179.14 1fbx h GLU 212 N 0.00 0.70 -0.03 2.45 5.08 -0.46 -1.12 114.58 121.20 1fbx h GLU 212 Ca 0.00 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1fbx h GLU 212 Cb 0.89 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1fbx h GLU 212 CO 0.00 0.92 -0.14 0.35 -1.00 0.00 0.00 179.01 179.14 1fbx h PHE 213 N 0.59 0.20 -0.29 4.33 3.57 -1.14 -3.04 116.94 121.15 1fbx h PHE 213 Ca 0.07 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1fbx h PHE 213 Cb 0.83 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1fbx h PHE 213 CO 0.04 0.78 0.07 -0.07 -2.23 0.00 0.00 178.31 176.90 1fbx h LEU 214 N -0.45 0.38 -0.53 0.59 3.38 -1.23 -2.22 115.31 115.23 1fbx h LEU 214 Ca -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1fbx h LEU 214 Cb 0.80 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1fbx h LEU 214 CO 0.03 0.39 0.31 -0.09 0.09 0.00 0.00 178.44 179.16 1fbx h ARG 215 N 0.41 0.72 0.00 1.13 2.43 -1.22 -2.70 114.38 115.15 1fbx h ARG 215 Ca 0.10 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1fbx h ARG 215 Cb 0.17 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1fbx h ARG 215 CO -0.00 0.54 0.00 0.00 -1.51 0.00 0.00 179.97 179.00 1fbx h ALA 216 N 1.14 1.00 -2.58 2.80 0.00 -1.30 -3.46 119.26 116.87 1fbx h ALA 216 Ca 0.19 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.60 1fbx h ALA 216 Cb 0.01 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.86 1fbx h ALA 216 CO -0.03 0.00 0.44 0.08 0.00 0.00 0.00 179.25 179.74 1fbx s VAL 217 N -3.34 3.29 0.00 0.00 1.01 -0.90 -4.36 120.40 116.11 1fbx s VAL 217 Ca 0.05 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1fbx s VAL 217 Cb 0.06 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1fbx s VAL 217 CO 0.63 -0.11 0.00 -1.14 0.00 0.00 0.00 175.10 174.48 1fbx n ARG 218 N -0.87 0.00 -2.51 2.72 3.00 -1.26 -5.02 116.66 112.72 1fbx n ARG 218 Ca 0.09 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.54 1fbx n ARG 218 Cb 0.50 -0.61 -0.02 0.00 0.00 0.00 0.00 32.46 32.33 1fbx n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1fbx s HIS 219 N -2.21 2.55 -0.71 -0.14 3.76 -1.26 -4.93 115.29 112.35 1fbx s HIS 219 Ca 0.00 -0.99 -0.26 0.00 -0.15 0.00 0.00 55.06 53.66 1fbx s HIS 219 Cb 0.00 -4.64 -0.06 0.00 1.11 0.00 0.00 32.58 28.99 1fbx s HIS 219 CO 0.00 -1.83 2.11 -1.58 -0.85 0.00 0.00 174.74 172.59 1fbx s HIS 220 N 5.35 1.48 0.00 1.40 2.46 -1.26 -4.86 115.29 119.86 1fbx s HIS 220 Ca 0.52 1.15 0.00 0.00 0.47 0.00 0.00 55.06 57.20 1fbx s HIS 220 Cb 0.01 -3.84 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 1fbx s HIS 220 CO -0.01 -2.03 0.00 0.09 -2.47 0.00 0.00 174.74 170.32