#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 -4.34 3.54 2.88 -1.26 -5.16 113.62 109.28 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 0.37 -0.10 0.00 -0.75 0.00 0.00 64.21 63.73 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 -4.26 2.38 0.28 2.46 1.43 -1.26 -4.74 118.68 114.96 1fbx s LEU 3 Ca 0.00 -1.14 0.05 0.00 -1.03 0.00 0.00 54.13 52.01 1fbx s LEU 3 Cb 0.00 -0.43 -0.02 0.00 0.03 0.00 0.00 46.19 45.77 1fbx s LEU 3 CO 0.00 -0.39 0.41 -0.94 0.23 0.00 0.00 176.35 175.66 1fbx s SER 4 N -3.31 6.18 0.15 2.29 1.04 -1.26 -4.97 113.70 113.82 1fbx s SER 4 Ca 0.26 -0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.48 1fbx s SER 4 Cb 0.04 -1.61 0.04 0.00 0.10 0.00 0.00 66.02 64.59 1fbx s SER 4 CO 0.08 -0.22 1.68 0.11 0.98 0.00 0.00 173.24 175.86 1fbx h LYS 5 N 1.04 -0.03 0.85 4.02 1.57 -2.02 -1.58 116.57 120.43 1fbx h LYS 5 Ca -0.49 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 1fbx h LYS 5 Cb 1.24 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.57 1fbx h LYS 5 CO 0.58 -0.02 -0.41 0.93 -0.57 0.00 0.00 179.45 179.96 1fbx h GLU 6 N -0.03 -1.10 -0.84 3.15 3.07 -1.96 -0.21 114.58 116.65 1fbx h GLU 6 Ca 0.15 0.08 0.15 0.00 -0.50 0.00 0.00 59.36 59.24 1fbx h GLU 6 Cb 0.26 0.25 -0.15 0.00 -0.84 0.00 0.00 28.75 28.27 1fbx h GLU 6 CO -0.33 -0.73 -0.26 0.00 -1.40 0.00 0.00 179.01 176.28 1fbx n ALA 7 N -2.62 0.08 0.04 3.43 0.00 -1.09 -0.26 120.51 120.09 1fbx n ALA 7 Ca -0.14 0.89 -0.11 0.00 0.00 0.00 0.00 53.44 54.08 1fbx n ALA 7 Cb 0.45 -0.48 0.02 0.00 0.00 0.00 0.00 19.45 19.44 1fbx n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fbx h ALA 8 N 1.47 0.57 -0.41 0.00 0.00 -1.17 -0.70 119.26 119.03 1fbx h ALA 8 Ca 0.36 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1fbx h ALA 8 Cb 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1fbx h ALA 8 CO -0.85 0.74 -0.06 1.25 0.00 0.00 0.00 179.25 180.33 1fbx h LEU 9 N 0.33 0.66 0.26 0.00 6.46 0.13 -1.93 115.31 121.22 1fbx h LEU 9 Ca -0.03 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1fbx h LEU 9 Cb 1.29 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 1fbx h LEU 9 CO 0.13 0.77 -0.12 0.58 -0.62 0.00 0.00 178.44 179.17 1fbx h VAL 10 N 0.63 0.65 -0.88 1.05 2.07 -0.73 -2.52 116.25 116.52 1fbx h VAL 10 Ca 0.12 -0.87 0.15 0.00 0.82 0.00 0.00 66.70 66.92 1fbx h VAL 10 Cb 0.48 1.03 -0.10 0.00 -1.52 0.00 0.00 31.29 31.19 1fbx h VAL 10 CO 0.02 0.15 0.47 -0.74 0.02 0.00 0.00 177.57 177.49 1fbx h HIS 11 N -0.89 0.83 0.49 1.57 -0.00 -1.10 -2.09 115.15 113.97 1fbx h HIS 11 Ca -0.04 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1fbx h HIS 11 Cb 0.51 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 1fbx h HIS 11 CO 0.05 0.19 -0.24 0.93 -0.00 0.00 0.00 177.93 178.87 1fbx h GLU 12 N 0.65 -0.64 -0.98 5.26 5.08 -1.39 -1.47 114.58 121.09 1fbx h GLU 12 Ca 0.49 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 59.12 1fbx h GLU 12 Cb 0.70 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 29.97 1fbx h GLU 12 CO -0.37 -0.38 0.56 0.00 -1.00 0.00 0.00 179.01 177.83 1fbx h ALA 13 N -0.31 1.71 0.75 3.43 0.00 -0.97 0.44 119.26 124.29 1fbx h ALA 13 Ca -0.07 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1fbx h ALA 13 Cb 0.56 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1fbx h ALA 13 CO 0.11 -0.24 -0.36 -0.07 0.00 0.00 0.00 179.25 178.69 1fbx h LEU 14 N 0.58 -0.85 -0.85 0.00 3.38 -1.09 -2.48 115.31 113.99 1fbx h LEU 14 Ca 0.62 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.77 1fbx h LEU 14 Cb 1.14 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 42.01 1fbx h LEU 14 CO -0.47 -0.57 0.42 0.58 0.09 0.00 0.00 178.44 178.50 1fbx h VAL 15 N -1.08 0.67 -0.06 1.22 2.07 -0.04 0.73 116.25 119.77 1fbx h VAL 15 Ca -0.10 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1fbx h VAL 15 Cb 0.79 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1fbx h VAL 15 CO 0.17 0.10 -0.04 0.00 0.02 0.00 0.00 177.57 177.83 1fbx h ALA 16 N 1.59 0.01 0.00 1.67 0.00 -0.86 -1.91 119.26 119.76 1fbx h ALA 16 Ca 0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1fbx h ALA 16 Cb 0.74 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1fbx h ALA 16 CO -0.40 -0.51 0.00 0.54 0.00 0.00 0.00 179.25 178.88 1fbx n ARG 17 N -5.15 0.24 -2.70 0.00 3.00 -0.87 -4.90 116.66 106.28 1fbx n ARG 17 Ca -0.05 0.04 -0.05 0.00 -0.01 0.00 0.00 57.85 57.77 1fbx n ARG 17 Cb 0.09 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.06 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 1.08 0.59 0.34 -0.13 0.00 -0.19 -4.97 105.19 101.91 1fbx n GLY 18 Ca 0.10 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.46 2.46 -4.69 0.99 4.77 0.08 -4.99 117.00 114.16 1fbx n LEU 19 Ca -0.00 -1.97 -0.29 0.00 -0.03 0.00 0.00 56.01 53.72 1fbx n LEU 19 Cb 0.52 -0.12 0.20 0.00 -2.33 0.00 0.00 43.42 41.68 1fbx n LEU 19 CO 0.14 0.61 0.67 -1.61 -1.33 0.00 0.00 177.39 175.88 1fbx s GLU 20 N -0.98 -0.10 -0.26 3.23 0.41 -1.24 -4.84 118.70 114.92 1fbx s GLU 20 Ca 0.12 0.12 -0.16 0.00 -0.41 0.00 0.00 54.97 54.64 1fbx s GLU 20 Cb 0.06 -1.71 -0.03 0.00 -1.78 0.00 0.00 34.13 30.67 1fbx s GLU 20 CO 0.08 -3.00 0.43 0.99 -0.49 0.00 0.00 175.26 173.27 1fbx s THR 21 N -3.15 5.14 -0.66 3.63 2.01 -1.26 -4.93 115.64 116.41 1fbx s THR 21 Ca 0.68 0.70 -0.22 0.00 0.31 0.00 0.00 61.69 63.17 1fbx s THR 21 Cb -0.13 -3.75 -0.15 0.00 0.01 0.00 0.00 72.50 68.49 1fbx s THR 21 CO 0.56 0.14 1.82 -2.65 -0.69 0.00 0.00 174.62 173.79 1fbx n PRO 22 N 5.31 0.00 -4.27 4.92 -0.02 -1.26 -4.87 135.00 134.80 1fbx n PRO 22 Ca -0.07 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.22 1fbx n PRO 22 Cb 0.50 -1.03 -0.15 0.00 -0.02 0.00 0.00 33.50 32.80 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 6.00 1.74 0.02 2.45 1.02 -1.26 -5.15 118.68 123.49 1fbx s LEU 23 Ca 0.92 -0.14 -0.09 0.00 0.02 0.00 0.00 54.13 54.84 1fbx s LEU 23 Cb -0.88 -0.44 -0.05 0.00 0.02 0.00 0.00 46.19 44.84 1fbx s LEU 23 CO 0.35 0.04 0.32 -0.13 0.02 0.00 0.00 176.35 176.95 1fbx s ARG 24 N 0.27 3.69 0.17 1.70 0.52 -1.26 -5.04 118.95 119.00 1fbx s ARG 24 Ca -0.04 0.09 -0.34 0.00 -0.52 0.00 0.00 55.73 54.93 1fbx s ARG 24 Cb -0.08 -3.09 -0.14 0.00 0.52 0.00 0.00 34.95 32.16 1fbx s ARG 24 CO 0.00 0.64 1.49 -2.30 0.02 0.00 0.00 175.30 175.15 1fbx n PRO 25 N 1.26 1.96 0.30 3.54 -0.02 -1.26 -4.76 135.00 136.02 1fbx n PRO 25 Ca -0.11 0.70 0.05 0.00 -2.02 0.00 0.00 63.50 62.12 1fbx n PRO 25 Cb 0.53 -2.42 0.23 0.00 -0.02 0.00 0.00 33.50 31.82 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 5.22 0.00 0.00 0.52 0.11 -2.04 -3.44 132.00 132.37 1fbx h PRO 26 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1fbx h PRO 26 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1fbx h PRO 26 CO 0.83 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.90 1fbx n VAL 27 N -2.65 0.00 -4.76 3.15 0.31 -1.26 -4.72 118.33 108.40 1fbx n VAL 27 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1fbx n VAL 27 Cb 0.86 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.67 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 2.61 -0.79 3.52 -3.43 -1.26 -5.03 115.29 110.91 1fbx s HIS 28 Ca 0.00 -0.22 -0.23 0.00 -0.80 0.00 0.00 55.06 53.81 1fbx s HIS 28 Cb 0.00 -1.53 -0.17 0.00 -1.43 0.00 0.00 32.58 29.45 1fbx s HIS 28 CO 0.00 0.22 2.38 0.39 -2.00 0.00 0.00 174.74 175.73 1fbx n GLU 29 N 1.85 0.51 -3.57 -0.38 1.02 -1.26 -4.90 120.64 113.90 1fbx n GLU 29 Ca -0.16 -0.55 -0.38 0.00 -0.02 0.00 0.00 57.16 56.04 1fbx n GLU 29 Cb 0.52 -3.11 -0.11 0.00 -0.02 0.00 0.00 31.44 28.73 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 8.51 3.96 0.33 3.49 1.75 -1.26 -5.06 119.30 131.02 1fbx s MET 30 Ca 1.02 -0.28 -0.26 0.00 -1.25 0.00 0.00 55.69 54.92 1fbx s MET 30 Cb -0.31 -3.66 -0.14 0.00 2.84 0.00 0.00 34.83 33.57 1fbx s MET 30 CO 0.21 -0.18 0.79 -3.47 -0.65 0.00 0.00 175.02 171.72 1fbx n ASP 31 N 5.07 0.23 -0.11 1.11 2.03 -1.26 -4.82 116.55 118.79 1fbx n ASP 31 Ca -0.13 1.07 -0.12 0.00 0.52 0.00 0.00 54.79 56.13 1fbx n ASP 31 Cb 0.52 -1.19 -0.03 0.00 -0.72 0.00 0.00 41.12 39.70 1fbx n ASP 31 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1fbx h ASN 32 N 1.42 0.80 -0.80 1.67 4.21 -1.99 -1.87 115.58 119.01 1fbx h ASN 32 Ca -0.38 -0.43 0.07 0.00 1.21 0.00 0.00 56.30 56.76 1fbx h ASN 32 Cb 1.37 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 38.30 1fbx h ASN 32 CO 0.57 1.06 0.52 -0.33 -1.29 0.00 0.00 177.43 177.96 1fbx h GLU 33 N 0.54 0.82 -0.19 0.81 5.08 -1.99 -0.56 114.58 119.09 1fbx h GLU 33 Ca 0.07 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1fbx h GLU 33 Cb 0.78 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1fbx h GLU 33 CO 0.06 0.54 0.10 1.15 -1.00 0.00 0.00 179.01 179.86 1fbx h THR 34 N 0.84 1.11 0.12 1.13 2.02 -1.81 -0.84 112.91 115.48 1fbx h THR 34 Ca 0.35 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1fbx h THR 34 Cb 0.27 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1fbx h THR 34 CO -0.12 0.10 -0.06 0.03 0.37 0.00 0.00 175.52 175.84 1fbx h ARG 35 N 0.19 -0.17 0.05 6.66 3.08 -0.45 0.36 114.38 124.11 1fbx h ARG 35 Ca 0.06 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1fbx h ARG 35 Cb 0.08 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1fbx h ARG 35 CO -0.01 -0.11 -0.17 0.87 -1.07 0.00 0.00 179.97 179.48 1fbx h LYS 36 N -0.17 -0.25 -0.89 0.04 1.57 -1.04 0.29 116.57 116.13 1fbx h LYS 36 Ca -0.01 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 59.02 1fbx h LYS 36 Cb 0.14 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1fbx h LYS 36 CO 0.02 -0.16 0.61 0.66 -0.57 0.00 0.00 179.45 180.00 1fbx h SER 37 N -0.26 0.19 0.35 0.86 4.64 -1.09 0.71 113.55 118.96 1fbx h SER 37 Ca -0.00 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 1fbx h SER 37 Cb 0.25 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1fbx h SER 37 CO -0.09 0.07 -0.53 -0.07 -0.87 0.00 0.00 176.83 175.34 1fbx h LEU 38 N 0.19 0.22 -0.83 5.97 3.38 0.93 -3.01 115.31 122.15 1fbx h LEU 38 Ca 0.44 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.19 1fbx h LEU 38 Cb 1.44 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1fbx h LEU 38 CO -0.09 0.71 -0.53 0.40 0.09 0.00 0.00 178.44 179.02 1fbx h ILE 39 N 0.16 1.24 -0.07 1.22 2.04 0.41 -3.10 117.51 119.41 1fbx h ILE 39 Ca 0.00 -1.89 -0.00 0.00 1.00 0.00 0.00 64.86 63.97 1fbx h ILE 39 Cb 0.98 2.06 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1fbx h ILE 39 CO 0.08 0.52 0.03 0.00 0.00 0.00 0.00 178.15 178.78 1fbx h ALA 40 N 1.47 0.09 -0.25 1.87 0.00 -1.15 -2.35 119.26 118.94 1fbx h ALA 40 Ca -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1fbx h ALA 40 Cb 1.01 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1fbx h ALA 40 CO 0.07 -0.36 -0.34 0.78 0.00 0.00 0.00 179.25 179.40 1fbx h GLY 41 N -0.01 -1.38 0.80 0.00 0.00 -1.52 0.64 103.07 101.61 1fbx h GLY 41 Ca 0.02 0.77 0.13 0.00 0.00 0.00 0.00 47.33 48.25 1fbx h GLY 41 CO -0.00 -0.36 0.48 0.45 0.00 0.00 0.00 176.54 177.11 1fbx h HIS 42 N -0.24 0.52 -0.12 5.60 -0.00 -1.60 0.10 115.15 119.41 1fbx h HIS 42 Ca 0.04 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1fbx h HIS 42 Cb 0.37 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.61 1fbx h HIS 42 CO -0.68 0.22 -0.05 0.52 -0.00 0.00 0.00 177.93 177.94 1fbx h MET 43 N 0.46 0.24 -0.90 2.45 2.86 -0.38 -0.33 114.93 119.34 1fbx h MET 43 Ca 0.34 -0.10 0.13 0.00 -2.06 0.00 0.00 59.70 58.02 1fbx h MET 43 Cb 0.71 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.29 1fbx h MET 43 CO -0.11 0.58 0.58 1.15 1.06 0.00 0.00 176.91 180.16 1fbx h THR 44 N -0.10 0.86 -0.09 2.22 2.02 0.16 0.42 112.91 118.41 1fbx h THR 44 Ca 0.03 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1fbx h THR 44 Cb 0.50 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1fbx h THR 44 CO 0.02 0.14 0.04 -0.33 0.37 0.00 0.00 175.52 175.75 1fbx h GLU 45 N 0.74 0.13 -0.65 6.66 4.39 -0.43 -2.00 114.58 123.43 1fbx h GLU 45 Ca 0.44 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.09 1fbx h GLU 45 Cb 0.65 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 1fbx h GLU 45 CO -0.21 0.24 0.27 0.82 -1.16 0.00 0.00 179.01 178.97 1fbx h ILE 46 N -0.01 1.24 -0.79 3.13 2.04 0.57 -0.21 117.51 123.48 1fbx h ILE 46 Ca 0.03 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1fbx h ILE 46 Cb 0.15 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1fbx h ILE 46 CO -0.00 0.29 0.50 0.24 0.00 0.00 0.00 178.15 179.18 1fbx h MET 47 N 0.91 1.05 0.00 2.37 2.86 -0.09 -1.18 114.93 120.87 1fbx h MET 47 Ca 0.22 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 1fbx h MET 47 Cb 0.19 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1fbx h MET 47 CO -0.02 0.72 -0.49 1.96 1.06 0.00 0.00 176.91 180.14 1fbx h GLN 48 N 1.08 0.00 0.00 1.72 4.20 -1.10 -1.17 115.11 119.84 1fbx h GLN 48 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1fbx h GLN 48 Cb -0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1fbx h GLN 48 CO -0.06 0.49 0.00 1.28 -0.67 0.00 0.00 178.83 179.87 1fbx n LEU 49 N -3.65 0.00 -0.35 1.46 4.77 -0.11 -1.34 117.00 117.78 1fbx n LEU 49 Ca -0.01 0.49 0.08 0.00 -0.03 0.00 0.00 56.01 56.54 1fbx n LEU 49 Cb 0.57 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1fbx n LEU 49 CO 0.39 -0.24 0.26 0.18 -1.33 0.00 0.00 177.39 176.65 1fbx n LEU 50 N -1.49 1.60 -0.50 2.23 4.77 -0.50 -4.98 117.00 118.12 1fbx n LEU 50 Ca 0.04 -0.77 -0.04 0.00 -0.03 0.00 0.00 56.01 55.20 1fbx n LEU 50 Cb 0.17 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1fbx n LEU 50 CO 0.14 0.31 -0.06 0.59 -1.33 0.00 0.00 177.39 177.04 1fbx n ASN 51 N -0.13 -2.15 -4.69 -1.43 3.02 -0.45 -5.01 115.26 104.42 1fbx n ASN 51 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.22 1fbx n ASN 51 Cb 0.33 -1.45 -0.05 0.00 -0.61 0.00 0.00 39.78 38.00 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 -1.27 4.24 -1.05 3.41 1.43 -0.85 -4.97 118.68 119.62 1fbx s LEU 52 Ca 0.00 1.04 -0.23 0.00 -1.03 0.00 0.00 54.13 53.91 1fbx s LEU 52 Cb 0.00 -3.00 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 1fbx s LEU 52 CO 0.00 -0.19 1.80 -0.62 0.23 0.00 0.00 176.35 177.57 1fbx s ASP 53 N 0.96 5.65 0.00 2.29 2.15 -1.26 -4.51 116.67 121.94 1fbx s ASP 53 Ca 0.34 -1.33 0.00 0.00 0.43 0.00 0.00 52.55 51.98 1fbx s ASP 53 Cb -0.17 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1fbx s ASP 53 CO 0.14 -2.34 0.83 0.18 -0.17 0.00 0.00 175.17 173.81 1fbx n LEU 54 N 12.19 0.00 0.25 -1.34 4.77 -1.26 -1.02 117.00 130.59 1fbx n LEU 54 Ca 0.41 0.34 0.12 0.00 -0.03 0.00 0.00 56.01 56.85 1fbx n LEU 54 Cb 0.48 -0.34 0.67 0.00 -2.33 0.00 0.00 43.42 41.89 1fbx n LEU 54 CO 0.65 -0.34 0.94 0.00 -1.33 0.00 0.00 177.39 177.31 1fbx h ALA 55 N 1.64 1.26 -2.91 -1.18 0.00 -1.93 -3.35 119.26 112.79 1fbx h ALA 55 Ca 0.00 -0.13 -0.54 0.00 0.00 0.00 0.00 54.91 54.24 1fbx h ALA 55 Cb 0.15 -0.02 0.12 0.00 0.00 0.00 0.00 17.79 18.03 1fbx h ALA 55 CO 0.00 0.18 0.54 0.34 0.00 0.00 0.00 179.25 180.32 1fbx s ASP 56 N -6.21 5.42 0.16 0.00 2.15 -0.19 -4.92 116.67 113.08 1fbx s ASP 56 Ca -0.02 2.57 0.18 0.00 0.43 0.00 0.00 52.55 55.71 1fbx s ASP 56 Cb 0.13 -2.62 0.80 0.00 -0.30 0.00 0.00 42.92 40.93 1fbx s ASP 56 CO 0.60 -1.45 1.56 -0.90 -0.17 0.00 0.00 175.17 174.81 1fbx n ASP 57 N -1.07 0.38 -0.09 -0.34 5.75 -1.26 -2.18 116.55 117.73 1fbx n ASP 57 Ca 0.11 0.61 -0.10 0.00 -0.01 0.00 0.00 54.79 55.39 1fbx n ASP 57 Cb 0.47 -0.69 -0.12 0.00 -1.03 0.00 0.00 41.12 39.75 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 -1.94 1.31 -0.22 -1.12 2.88 -1.26 -4.43 113.62 108.84 1fbx n SER 58 Ca 0.02 -0.04 0.14 0.00 -1.33 0.00 0.00 58.87 57.66 1fbx n SER 58 Cb 0.16 0.53 0.53 0.00 -0.75 0.00 0.00 64.21 64.67 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 -2.78 0.82 0.25 2.46 4.77 -1.18 -4.33 117.00 117.01 1fbx n LEU 59 Ca -0.31 -0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.34 1fbx n LEU 59 Cb 1.00 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.90 1fbx n LEU 59 CO 0.31 0.15 0.68 -0.03 -1.33 0.00 0.00 177.39 177.17 1fbx h MET 60 N 1.07 -0.65 -0.08 3.23 4.05 -1.58 -3.09 114.93 117.89 1fbx h MET 60 Ca 0.00 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1fbx h MET 60 Cb 0.42 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1fbx h MET 60 CO 0.00 -0.43 0.00 0.39 0.23 0.00 0.00 176.91 177.10 1fbx n GLU 61 N -5.41 1.33 -0.18 0.39 -0.58 -1.26 -4.40 120.64 110.53 1fbx n GLU 61 Ca -0.11 -0.50 -0.00 0.00 -0.42 0.00 0.00 57.16 56.14 1fbx n GLU 61 Cb 0.31 -1.32 0.24 0.00 -0.57 0.00 0.00 31.44 30.10 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 0.99 1.20 -0.35 2.62 2.02 -1.78 -1.82 112.91 115.80 1fbx h THR 62 Ca 0.00 -0.47 -0.13 0.00 0.77 0.00 0.00 66.41 66.58 1fbx h THR 62 Cb 0.22 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1fbx h THR 62 CO 0.00 0.21 -0.31 -0.65 0.37 0.00 0.00 175.52 175.15 1fbx h PRO 63 N 0.94 0.75 0.32 6.66 0.11 -1.82 -0.93 132.00 138.04 1fbx h PRO 63 Ca 0.24 -0.35 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 1fbx h PRO 63 Cb -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1fbx h PRO 63 CO -0.04 0.96 -0.15 1.25 -0.21 0.00 0.00 178.00 179.81 1fbx h HIS 64 N 0.64 -0.39 -0.49 0.65 6.17 -1.82 -0.83 115.15 119.07 1fbx h HIS 64 Ca 0.07 -0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.21 1fbx h HIS 64 Cb 0.84 0.13 -0.06 0.00 2.52 0.00 0.00 27.41 30.84 1fbx h HIS 64 CO 0.04 -0.15 0.17 0.00 0.71 0.00 0.00 177.93 178.70 1fbx h ARG 65 N -0.57 0.33 -0.55 5.26 3.08 -1.31 0.95 114.38 121.58 1fbx h ARG 65 Ca -0.04 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1fbx h ARG 65 Cb 0.42 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1fbx h ARG 65 CO 0.07 0.22 0.16 0.82 -1.07 0.00 0.00 179.97 180.17 1fbx h ILE 66 N 0.34 1.22 0.05 2.04 2.04 -1.11 0.96 117.51 123.06 1fbx h ILE 66 Ca 0.24 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1fbx h ILE 66 Cb 0.26 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1fbx h ILE 66 CO -0.25 0.29 -0.02 0.00 0.00 0.00 0.00 178.15 178.17 1fbx h ALA 67 N 1.38 -0.06 0.12 1.87 0.00 0.02 -2.17 119.26 120.41 1fbx h ALA 67 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1fbx h ALA 67 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1fbx h ALA 67 CO -0.01 -0.43 -0.06 -0.22 0.00 0.00 0.00 179.25 178.53 1fbx h LYS 68 N -0.27 -0.15 -0.86 0.00 3.64 -0.66 -1.51 116.57 116.76 1fbx h LYS 68 Ca -0.01 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.55 1fbx h LYS 68 Cb 0.24 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.99 1fbx h LYS 68 CO 0.01 -0.03 0.42 1.98 -2.27 0.00 0.00 179.45 179.56 1fbx h MET 69 N -0.23 0.54 0.46 1.90 4.05 -0.80 0.79 114.93 121.64 1fbx h MET 69 Ca -0.02 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 1fbx h MET 69 Cb 0.19 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1fbx h MET 69 CO 0.03 0.36 -0.22 1.88 0.23 0.00 0.00 176.91 179.18 1fbx h TYR 70 N 0.56 -0.57 -0.01 1.39 -1.99 -1.09 0.41 116.97 115.67 1fbx h TYR 70 Ca 0.49 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.20 1fbx h TYR 70 Cb 0.78 0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.69 1fbx h TYR 70 CO -0.10 -0.26 -0.03 0.28 -0.00 0.00 0.00 178.16 178.05 1fbx h VAL 71 N -0.87 1.48 0.10 -2.88 2.07 -0.81 -2.80 116.25 112.54 1fbx h VAL 71 Ca -0.06 -1.46 -0.27 0.00 0.82 0.00 0.00 66.70 65.73 1fbx h VAL 71 Cb 0.57 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1fbx h VAL 71 CO 0.10 0.38 -1.25 0.44 0.02 0.00 0.00 177.57 177.27 1fbx h ASP 72 N -0.56 0.33 0.00 0.57 5.19 0.44 -3.37 116.42 119.03 1fbx h ASP 72 Ca -0.00 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1fbx h ASP 72 Cb 0.64 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1fbx h ASP 72 CO 0.01 1.29 0.00 -0.62 -3.12 0.00 0.00 179.24 176.80 1fbx n GLU 73 N -3.48 0.00 0.33 3.56 1.02 -0.03 -4.55 120.64 117.49 1fbx n GLU 73 Ca -0.08 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.25 1fbx n GLU 73 Cb 1.01 0.00 1.01 0.00 -0.02 0.00 0.00 31.44 33.45 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 0.02 -0.10 -3.67 3.07 -1.31 -1.50 117.51 114.02 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 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 37.38 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 -3.01 0.30 0.36 0.16 3.72 -1.06 -3.13 117.46 114.80 1fbx n PHE 75 Ca -0.02 -0.83 0.13 0.00 -0.05 0.00 0.00 57.45 56.67 1fbx n PHE 75 Cb 0.23 -0.17 0.53 0.00 -0.94 0.00 0.00 39.48 39.14 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 0.69 0.00 0.29 4.37 4.64 -1.21 -2.66 113.55 119.67 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 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1fbx h SER 76 CO 0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 1fbx n GLY 77 N -0.12 -0.76 0.05 -0.77 0.00 0.12 -2.12 105.19 101.58 1fbx n GLY 77 Ca 0.02 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.42 0.18 -3.96 0.99 4.77 -1.00 -4.56 117.00 112.00 1fbx n LEU 78 Ca 0.03 0.09 -0.31 0.00 -0.03 0.00 0.00 56.01 55.79 1fbx n LEU 78 Cb 0.10 -0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 40.89 1fbx n LEU 78 CO 0.09 0.03 -0.35 -0.62 -1.33 0.00 0.00 177.39 175.21 1fbx s ASP 79 N -2.34 4.49 0.00 -1.43 -1.08 -0.90 -4.97 116.67 110.45 1fbx s ASP 79 Ca 0.35 -1.88 0.00 0.00 -0.52 0.00 0.00 52.55 50.51 1fbx s ASP 79 Cb 0.21 -1.42 0.00 0.00 -1.46 0.00 0.00 42.92 40.24 1fbx s ASP 79 CO 0.43 -0.35 0.48 -1.22 0.52 0.00 0.00 175.17 175.03 1fbx n TYR 80 N 4.43 0.00 1.08 -5.34 4.02 -1.26 0.13 117.16 120.23 1fbx n TYR 80 Ca -0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.99 1fbx n TYR 80 Cb 0.42 -0.08 0.56 0.00 -0.02 0.00 0.00 39.34 40.22 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 2.15 0.21 -0.72 0.00 -1.26 -1.87 120.51 118.04 1fbx n ALA 81 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.38 1fbx n ALA 81 Cb 0.03 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.22 2.04 -4.66 0.00 3.02 0.12 -5.01 115.26 109.54 1fbx n ASN 82 Ca 0.11 -1.56 -0.38 0.00 -0.03 0.00 0.00 54.58 52.72 1fbx n ASN 82 Cb 0.15 -0.06 0.05 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.44 1.32 -1.83 3.10 7.35 -0.78 -4.93 117.46 122.12 1fbx n PHE 83 Ca 0.06 0.45 -0.31 0.00 -0.76 0.00 0.00 57.45 56.89 1fbx n PHE 83 Cb 0.27 -2.22 0.02 0.00 0.35 0.00 0.00 39.48 37.91 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 -2.76 3.38 -0.15 -7.13 0.04 -1.26 -5.00 135.00 122.11 1fbx s PRO 84 Ca 0.74 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 1fbx s PRO 84 Cb -0.43 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1fbx s PRO 84 CO 0.48 -0.75 1.04 0.15 0.04 0.00 0.00 177.00 177.96 1fbx s LYS 85 N -4.93 4.36 -0.16 4.56 1.02 -1.26 -4.88 119.74 118.44 1fbx s LYS 85 Ca 0.57 1.40 -0.09 0.00 0.02 0.00 0.00 55.97 57.88 1fbx s LYS 85 Cb -0.12 -3.58 -0.05 0.00 -0.52 0.00 0.00 37.83 33.56 1fbx s LYS 85 CO 0.51 -0.44 0.15 0.42 -0.92 0.00 0.00 175.35 175.06 1fbx s ILE 86 N 2.48 5.44 -0.06 2.17 -1.09 -1.26 -4.97 121.20 123.91 1fbx s ILE 86 Ca 0.47 0.23 0.05 0.00 -2.23 0.00 0.00 60.65 59.18 1fbx s ILE 86 Cb -0.18 -3.45 -0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1fbx s ILE 86 CO 0.14 0.52 -0.21 0.42 -1.23 0.00 0.00 174.94 174.58 1fbx s THR 87 N -0.32 1.75 -0.09 2.92 -4.23 -1.26 -5.11 115.64 109.31 1fbx s THR 87 Ca 0.12 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1fbx s THR 87 Cb -0.12 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.24 1fbx s THR 87 CO 0.01 0.49 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.73 1fbx s LEU 88 N 0.05 1.41 0.28 4.79 1.43 -1.26 -3.02 118.68 122.35 1fbx s LEU 88 Ca -0.07 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1fbx s LEU 88 Cb -0.14 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 1fbx s LEU 88 CO 0.04 -0.04 0.44 0.27 0.23 0.00 0.00 176.35 177.28 1fbx s ILE 89 N 1.17 5.19 0.50 -0.59 -4.36 -0.87 -4.93 121.20 117.31 1fbx s ILE 89 Ca -0.05 -0.77 -0.20 0.00 -0.26 0.00 0.00 60.65 59.36 1fbx s ILE 89 Cb -0.14 -3.86 -0.08 0.00 1.25 0.00 0.00 42.46 39.63 1fbx s ILE 89 CO -0.02 -0.42 1.05 -0.70 0.24 0.00 0.00 174.94 175.09 1fbx s GLU 90 N -4.12 3.72 -1.34 0.37 2.12 -1.26 -1.81 118.70 116.39 1fbx s GLU 90 Ca 0.37 1.40 -0.08 0.00 0.36 0.00 0.00 54.97 57.02 1fbx s GLU 90 Cb -0.09 -2.08 0.12 0.00 0.26 0.00 0.00 34.13 32.34 1fbx s GLU 90 CO 0.32 -0.50 2.22 -1.71 -0.54 0.00 0.00 175.26 175.05 1fbx n ASN 91 N -1.03 6.74 -0.04 -1.70 5.15 -0.22 -4.63 115.26 119.53 1fbx n ASN 91 Ca 0.10 -3.07 -0.16 0.00 -0.60 0.00 0.00 54.58 50.85 1fbx n ASN 91 Cb 0.52 -1.44 -0.07 0.00 -0.53 0.00 0.00 39.78 38.26 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 5.15 0.62 0.00 1.20 1.57 -1.92 -2.93 116.57 120.26 1fbx h LYS 92 Ca 0.59 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1fbx h LYS 92 Cb 0.45 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1fbx h LYS 92 CO 1.58 1.08 0.49 0.52 -0.57 0.00 0.00 179.45 182.55 1fbx h MET 93 N 0.28 0.00 -5.27 3.15 2.86 -2.01 -3.44 114.93 110.50 1fbx h MET 93 Ca -0.02 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.44 1fbx h MET 93 Cb 1.14 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.94 1fbx h MET 93 CO 0.11 0.00 -0.62 1.63 1.06 0.00 0.00 176.91 179.09 1fbx n LYS 94 N -2.40 -1.90 -3.01 1.72 5.02 -1.11 -4.99 118.16 111.49 1fbx n LYS 94 Ca -0.01 0.95 -0.40 0.00 -2.02 0.00 0.00 58.31 56.83 1fbx n LYS 94 Cb 0.51 -5.53 -0.04 0.00 -0.02 0.00 0.00 35.03 29.95 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 -3.28 5.01 -0.02 -0.18 1.01 -1.26 -4.93 120.40 116.75 1fbx s VAL 95 Ca 0.33 1.52 0.07 0.00 0.00 0.00 0.00 61.98 63.89 1fbx s VAL 95 Cb -0.04 -4.07 0.11 0.00 0.00 0.00 0.00 36.38 32.38 1fbx s VAL 95 CO 0.69 0.25 1.05 -0.90 0.00 0.00 0.00 175.10 176.19 1fbx n ASP 96 N 3.73 0.45 -4.35 3.32 5.75 -1.26 -4.52 116.55 119.67 1fbx n ASP 96 Ca -0.01 -2.16 -0.20 0.00 -0.01 0.00 0.00 54.79 52.41 1fbx n ASP 96 Cb 0.51 -0.25 -0.10 0.00 -1.03 0.00 0.00 41.12 40.25 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 -0.38 1.34 0.80 0.11 0.41 -1.26 -5.03 118.70 114.68 1fbx s GLU 97 Ca 0.10 -1.53 -0.11 0.00 -0.41 0.00 0.00 54.97 53.02 1fbx s GLU 97 Cb 0.10 -1.27 0.07 0.00 -1.78 0.00 0.00 34.13 31.26 1fbx s GLU 97 CO -0.03 0.23 1.10 0.00 -0.49 0.00 0.00 175.26 176.07 1fbx s MET 98 N -3.29 2.06 -0.11 1.61 0.23 -1.26 -4.56 119.30 113.98 1fbx s MET 98 Ca 0.20 1.16 0.02 0.00 -1.03 0.00 0.00 55.69 56.05 1fbx s MET 98 Cb -0.03 -1.88 0.01 0.00 -1.53 0.00 0.00 34.83 31.41 1fbx s MET 98 CO 0.08 -1.78 -0.17 0.08 -2.03 0.00 0.00 175.02 171.19 1fbx s VAL 99 N -2.89 1.65 -0.07 5.16 1.01 -0.24 -4.98 120.40 120.05 1fbx s VAL 99 Ca 0.62 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1fbx s VAL 99 Cb -0.18 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1fbx s VAL 99 CO 0.56 0.47 -0.20 -0.89 0.00 0.00 0.00 175.10 175.05 1fbx s THR 100 N 0.88 2.54 -0.34 3.92 2.01 -1.26 -2.36 115.64 121.02 1fbx s THR 100 Ca -0.08 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.04 1fbx s THR 100 Cb -0.15 -1.98 0.09 0.00 0.01 0.00 0.00 72.50 70.47 1fbx s THR 100 CO -0.01 0.57 0.06 -0.69 -0.69 0.00 0.00 174.62 173.86 1fbx s VAL 101 N -0.22 2.59 0.13 3.82 1.01 0.14 -5.00 120.40 122.86 1fbx s VAL 101 Ca -0.01 -2.08 0.01 0.00 0.00 0.00 0.00 61.98 59.91 1fbx s VAL 101 Cb -0.13 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1fbx s VAL 101 CO 0.03 -0.49 0.28 0.00 0.00 0.00 0.00 175.10 174.92 1fbx s ARG 102 N 1.03 3.45 -1.27 2.72 1.70 -1.26 -1.52 118.95 123.79 1fbx s ARG 102 Ca 0.06 -0.51 -0.03 0.00 -0.47 0.00 0.00 55.73 54.78 1fbx s ARG 102 Cb -0.20 -2.97 0.01 0.00 -0.57 0.00 0.00 34.95 31.22 1fbx s ARG 102 CO -0.06 0.53 1.00 -0.25 -1.08 0.00 0.00 175.30 175.44 1fbx n ASP 103 N -0.30 -3.11 -4.76 -2.89 8.00 -1.07 -4.97 116.55 107.46 1fbx n ASP 103 Ca -0.06 -0.64 -0.40 0.00 0.71 0.00 0.00 54.79 54.40 1fbx n ASP 103 Cb 0.53 -4.87 -0.04 0.00 -0.02 0.00 0.00 41.12 36.72 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 -3.39 3.52 0.05 0.53 1.01 0.24 -4.82 121.20 118.34 1fbx s ILE 104 Ca 0.18 1.52 -0.30 0.00 0.00 0.00 0.00 60.65 62.05 1fbx s ILE 104 Cb -0.08 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 1fbx s ILE 104 CO 0.75 0.36 1.14 -0.89 0.00 0.00 0.00 174.94 176.30 1fbx s THR 105 N -1.13 4.23 -0.05 2.92 2.01 -1.26 -1.41 115.64 120.94 1fbx s THR 105 Ca 0.44 1.61 0.01 0.00 0.31 0.00 0.00 61.69 64.06 1fbx s THR 105 Cb -0.32 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.18 1fbx s THR 105 CO 0.41 0.13 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.21 1fbx s LEU 106 N 0.98 1.19 -0.06 4.42 0.20 -1.01 -4.78 118.68 119.62 1fbx s LEU 106 Ca 0.57 -0.14 0.01 0.00 0.69 0.00 0.00 54.13 55.26 1fbx s LEU 106 Cb -0.27 -0.49 0.02 0.00 -0.43 0.00 0.00 46.19 45.02 1fbx s LEU 106 CO 0.29 -0.08 -0.05 0.42 -0.29 0.00 0.00 176.35 176.64 1fbx s THR 107 N 1.16 0.65 0.19 3.68 -4.23 -1.26 -1.57 115.64 114.26 1fbx s THR 107 Ca -0.07 -0.16 0.04 0.00 -1.18 0.00 0.00 61.69 60.31 1fbx s THR 107 Cb -0.14 -0.68 -0.01 0.00 1.34 0.00 0.00 72.50 73.01 1fbx s THR 107 CO -0.01 0.26 0.17 -0.24 -0.54 0.00 0.00 174.62 174.26 1fbx n SER 108 N 4.22 -0.45 -3.90 3.99 2.88 -0.33 -4.45 113.62 115.58 1fbx n SER 108 Ca -0.21 -2.20 -0.22 0.00 -1.33 0.00 0.00 58.87 54.90 1fbx n SER 108 Cb 0.51 1.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.80 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 -2.74 0.67 0.61 2.46 2.01 -1.26 0.99 115.64 118.38 1fbx s THR 109 Ca 0.22 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.86 1fbx s THR 109 Cb 0.01 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 1fbx s THR 109 CO 0.15 0.27 1.24 0.00 -0.69 0.00 0.00 174.62 175.59 1fbx h GLU 111 N 0.76 0.00 -0.02 0.00 4.11 -1.05 -1.82 114.58 116.55 1fbx h GLU 111 Ca -0.51 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.79 1fbx h GLU 111 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1fbx h GLU 111 CO 0.54 0.00 -0.63 0.45 0.07 0.00 0.00 179.01 179.45 1fbx h HIS 112 N 0.00 0.11 0.00 2.06 3.86 -1.90 -3.38 115.15 115.90 1fbx h HIS 112 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1fbx h HIS 112 Cb 0.90 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.35 1fbx h HIS 112 CO 0.00 0.68 0.00 0.72 0.86 0.00 0.00 177.93 180.19 1fbx n HIS 113 N -3.82 0.00 -3.47 2.45 8.25 -1.26 -5.01 115.22 112.37 1fbx n HIS 113 Ca -0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.23 1fbx n HIS 113 Cb 0.63 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.81 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 -2.55 -4.12 4.41 3.01 -0.68 -5.00 117.46 112.53 1fbx n PHE 114 Ca 0.00 0.91 -0.28 0.00 1.01 0.00 0.00 57.45 59.09 1fbx n PHE 114 Cb 0.31 -4.63 -0.07 0.00 -0.01 0.00 0.00 39.48 35.08 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 -3.29 4.16 0.30 -4.37 1.01 -1.24 -4.81 120.40 112.16 1fbx s VAL 115 Ca 0.49 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1fbx s VAL 115 Cb -0.21 -3.07 -0.12 0.00 0.00 0.00 0.00 36.38 32.98 1fbx s VAL 115 CO 0.65 -0.03 1.46 0.41 0.00 0.00 0.00 175.10 177.59 1fbx n THR 116 N 0.03 1.32 -5.18 3.92 -1.04 -1.26 0.55 114.28 112.62 1fbx n THR 116 Ca -0.09 -0.33 -0.32 0.00 -2.04 0.00 0.00 64.05 61.27 1fbx n THR 116 Cb 0.54 -1.72 -0.17 0.00 -1.82 0.00 0.00 70.33 67.16 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 -0.38 2.19 -0.17 12.58 1.01 0.28 -1.19 121.20 135.51 1fbx s ILE 117 Ca 0.62 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 1fbx s ILE 117 Cb -0.56 -1.83 0.04 0.00 0.01 0.00 0.00 42.46 40.12 1fbx s ILE 117 CO 0.54 0.56 -0.06 -0.62 0.00 0.00 0.00 174.94 175.36 1fbx s ASP 118 N 0.20 2.96 0.00 3.58 2.15 0.14 -1.19 116.67 124.51 1fbx s ASP 118 Ca -0.14 -0.72 0.00 0.00 0.43 0.00 0.00 52.55 52.12 1fbx s ASP 118 Cb -0.17 -0.96 0.00 0.00 -0.30 0.00 0.00 42.92 41.49 1fbx s ASP 118 CO 0.07 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 1fbx n GLY 119 N 4.84 4.03 3.03 2.66 0.00 -0.61 -0.55 105.19 118.59 1fbx n GLY 119 Ca -0.12 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.77 0.19 0.11 1.61 1.02 0.27 -2.41 119.74 119.76 1fbx s LYS 120 Ca 0.00 0.43 0.05 0.00 0.02 0.00 0.00 55.97 56.47 1fbx s LYS 120 Cb 0.00 -0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 1fbx s LYS 120 CO 0.00 -0.13 0.04 0.00 -0.92 0.00 0.00 175.35 174.33 1fbx s ALA 121 N 0.96 3.37 -0.12 5.17 0.00 -0.50 -1.76 121.76 128.89 1fbx s ALA 121 Ca -0.07 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 1fbx s ALA 121 Cb -0.08 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1fbx s ALA 121 CO -0.06 0.64 -0.07 0.99 0.00 0.00 0.00 175.76 177.27 1fbx s THR 122 N -1.46 1.01 0.02 0.00 2.01 0.15 -0.59 115.64 116.78 1fbx s THR 122 Ca 0.27 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 62.03 1fbx s THR 122 Cb -0.11 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 1fbx s THR 122 CO 0.20 0.32 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.52 1fbx s VAL 123 N 1.71 2.29 -0.10 3.82 1.01 -0.58 -1.56 120.40 126.99 1fbx s VAL 123 Ca 0.04 -1.24 -0.08 0.00 0.00 0.00 0.00 61.98 60.70 1fbx s VAL 123 Cb -0.13 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.40 1fbx s VAL 123 CO -0.08 0.43 0.26 0.00 0.00 0.00 0.00 175.10 175.71 1fbx s ALA 124 N -0.77 -0.63 0.09 5.51 0.00 -0.40 -0.69 121.76 124.87 1fbx s ALA 124 Ca 0.12 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.87 1fbx s ALA 124 Cb -0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1fbx s ALA 124 CO 0.02 -0.14 0.02 1.52 0.00 0.00 0.00 175.76 177.17 1fbx s TYR 125 N 0.39 0.70 -0.29 0.00 1.13 -1.00 0.19 117.35 118.48 1fbx s TYR 125 Ca -0.02 -1.16 -0.02 0.00 -1.41 0.00 0.00 57.07 54.47 1fbx s TYR 125 Cb -0.04 -0.44 0.05 0.00 -1.10 0.00 0.00 41.96 40.43 1fbx s TYR 125 CO -0.02 -0.46 -0.01 0.42 -2.51 0.00 0.00 175.55 172.98 1fbx s ILE 126 N -3.99 2.96 0.25 -3.49 1.01 -1.01 -1.08 121.20 115.87 1fbx s ILE 126 Ca 0.16 -1.34 -0.31 0.00 0.00 0.00 0.00 60.65 59.16 1fbx s ILE 126 Cb 0.08 -2.68 -0.12 0.00 0.01 0.00 0.00 42.46 39.75 1fbx s ILE 126 CO -0.04 -0.06 1.65 -2.65 0.00 0.00 0.00 174.94 173.84 1fbx n PRO 127 N 4.63 2.72 0.00 2.79 -0.02 -1.26 -4.88 135.00 138.97 1fbx n PRO 127 Ca -0.14 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1fbx n PRO 127 Cb 0.44 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 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 2.95 0.00 -0.05 -0.52 4.81 -1.26 -4.66 118.16 119.43 1fbx n LYS 128 Ca 0.12 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.41 1fbx n LYS 128 Cb 0.36 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.27 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 1.32 -4.64 3.14 8.00 -1.26 -4.83 116.55 118.28 1fbx n ASP 129 Ca 0.00 0.17 -0.24 0.00 0.71 0.00 0.00 54.79 55.43 1fbx n ASP 129 Cb 0.00 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 1fbx n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1fbx s SER 130 N -6.36 4.54 -0.19 -2.24 1.04 -1.26 -1.05 113.70 108.17 1fbx s SER 130 Ca -0.17 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.67 1fbx s SER 130 Cb 0.07 -0.86 0.04 0.00 0.10 0.00 0.00 66.02 65.37 1fbx s SER 130 CO 0.77 0.03 -0.12 -0.69 0.98 0.00 0.00 173.24 174.21 1fbx s VAL 131 N -2.15 1.67 0.35 5.02 1.01 -0.75 -4.69 120.40 120.87 1fbx s VAL 131 Ca 0.30 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1fbx s VAL 131 Cb -0.07 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.54 1fbx s VAL 131 CO 0.19 0.26 0.74 -0.51 0.00 0.00 0.00 175.10 175.78 1fbx s ILE 132 N 1.40 4.74 0.19 2.22 2.07 -1.26 -2.05 121.20 128.51 1fbx s ILE 132 Ca 0.00 0.77 -0.31 0.00 -1.41 0.00 0.00 60.65 59.71 1fbx s ILE 132 Cb -0.15 -3.66 -0.09 0.00 0.13 0.00 0.00 42.46 38.68 1fbx s ILE 132 CO -0.09 -0.33 1.45 -0.83 -1.91 0.00 0.00 174.94 173.23 1fbx s GLY 133 N -2.68 2.05 0.19 1.50 0.00 -1.17 -4.93 107.32 102.28 1fbx s GLY 133 Ca 0.52 1.27 -0.20 0.00 0.00 0.00 0.00 44.72 46.31 1fbx s GLY 133 CO 0.24 2.37 1.59 1.41 0.00 0.00 0.00 173.10 178.70 1fbx h LEU 134 N 5.97 -1.11 -1.53 0.66 3.38 -1.95 0.17 115.31 120.90 1fbx h LEU 134 Ca -0.44 0.22 0.22 0.00 0.09 0.00 0.00 57.88 57.98 1fbx h LEU 134 Cb 1.21 0.56 -0.07 0.00 0.09 0.00 0.00 40.66 42.45 1fbx h LEU 134 CO 0.83 -0.30 0.62 0.77 0.09 0.00 0.00 178.44 180.46 1fbx h SER 135 N -0.15 0.38 -0.38 -0.43 4.64 -2.01 -0.85 113.55 114.75 1fbx h SER 135 Ca 0.24 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1fbx h SER 135 Cb 0.55 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1fbx h SER 135 CO -0.68 0.14 0.22 0.11 -0.87 0.00 0.00 176.83 175.75 1fbx h LYS 136 N 0.37 0.54 0.20 4.77 1.79 -1.33 -1.99 116.57 120.92 1fbx h LYS 136 Ca 0.49 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.90 1fbx h LYS 136 Cb 1.29 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1fbx h LYS 136 CO -0.18 0.40 -0.10 0.82 -1.08 0.00 0.00 179.45 179.31 1fbx h ILE 137 N 0.55 0.85 -0.39 1.86 2.04 -1.17 -0.53 117.51 120.73 1fbx h ILE 137 Ca 0.14 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.82 1fbx h ILE 137 Cb 0.01 1.01 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 1fbx h ILE 137 CO -0.02 0.06 -0.34 0.78 0.00 0.00 0.00 178.15 178.63 1fbx h ASN 138 N -0.40 -1.11 -0.30 1.72 2.35 -1.45 -0.15 115.58 116.24 1fbx h ASN 138 Ca -0.03 0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1fbx h ASN 138 Cb 0.31 0.52 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 1fbx h ASN 138 CO 0.05 -0.33 0.20 0.03 -1.65 0.00 0.00 177.43 175.73 1fbx h ARG 139 N -0.26 0.35 -0.14 0.81 3.08 -1.17 0.18 114.38 117.23 1fbx h ARG 139 Ca 0.17 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 1fbx h ARG 139 Cb 0.54 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1fbx h ARG 139 CO -0.54 0.23 -0.25 0.82 -1.07 0.00 0.00 179.97 179.16 1fbx h ILE 140 N 0.36 1.37 -0.93 2.04 2.04 0.15 0.15 117.51 122.69 1fbx h ILE 140 Ca 0.12 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 1fbx h ILE 140 Cb 0.03 2.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1fbx h ILE 140 CO -0.03 0.45 0.56 0.58 0.00 0.00 0.00 178.15 179.71 1fbx h VAL 141 N 0.02 1.26 -0.04 1.67 2.07 -0.32 -1.51 116.25 119.40 1fbx h VAL 141 Ca 0.01 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 1fbx h VAL 141 Cb 0.84 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1fbx h VAL 141 CO 0.06 0.27 -0.45 1.56 0.02 0.00 0.00 177.57 179.03 1fbx h GLN 142 N 1.29 0.09 0.66 1.57 1.08 -0.50 -2.83 115.11 116.46 1fbx h GLN 142 Ca 0.33 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.46 1fbx h GLN 142 Cb -0.05 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1fbx h GLN 142 CO -0.06 0.52 -0.32 0.35 -0.95 0.00 0.00 178.83 178.37 1fbx h PHE 143 N 0.07 -0.84 0.00 2.96 3.57 0.35 -2.65 116.94 120.40 1fbx h PHE 143 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1fbx h PHE 143 Cb 0.83 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1fbx h PHE 143 CO 0.01 -0.52 0.00 1.19 -2.23 0.00 0.00 178.31 176.75 1fbx n PHE 144 N -5.48 0.50 0.07 0.41 3.72 -1.02 -2.55 117.46 113.11 1fbx n PHE 144 Ca -0.13 0.20 -0.06 0.00 -0.05 0.00 0.00 57.45 57.40 1fbx n PHE 144 Cb 0.37 -0.82 -0.09 0.00 -0.94 0.00 0.00 39.48 38.00 1fbx n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fbx h ALA 145 N 2.35 0.42 -0.05 4.37 0.00 -1.22 -3.33 119.26 121.80 1fbx h ALA 145 Ca 0.00 -0.87 -0.57 0.00 0.00 0.00 0.00 54.91 53.47 1fbx h ALA 145 Cb 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1fbx h ALA 145 CO 0.00 1.19 2.85 1.04 0.00 0.00 0.00 179.25 184.33 1fbx n GLN 146 N -3.39 3.39 -3.67 0.00 1.13 -1.06 -4.26 117.38 109.52 1fbx n GLN 146 Ca -0.00 -2.04 -0.12 0.00 -1.94 0.00 0.00 57.00 52.90 1fbx n GLN 146 Cb 0.90 -2.61 -0.06 0.00 0.11 0.00 0.00 30.24 28.58 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 1.65 0.93 0.08 -1.09 0.52 -1.18 0.11 118.95 119.97 1fbx s ARG 147 Ca 0.68 -0.46 -0.31 0.00 -0.52 0.00 0.00 55.73 55.13 1fbx s ARG 147 Cb 0.21 0.41 -0.08 0.00 0.52 0.00 0.00 34.95 36.02 1fbx s ARG 147 CO -0.05 -0.33 1.46 -2.14 0.02 0.00 0.00 175.30 174.26 1fbx s PRO 148 N -2.77 4.28 0.43 3.54 0.02 -1.26 -4.17 135.00 135.06 1fbx s PRO 148 Ca -0.03 2.12 0.03 0.00 0.02 0.00 0.00 61.00 63.14 1fbx s PRO 148 Cb -0.00 -3.38 -0.03 0.00 0.02 0.00 0.00 34.50 31.11 1fbx s PRO 148 CO -0.04 -0.54 0.09 -0.65 -0.33 0.00 0.00 177.00 175.52 1fbx s GLN 149 N 1.71 1.97 -0.11 5.54 -1.52 -0.38 -4.72 119.66 122.15 1fbx s GLN 149 Ca 0.67 -2.21 -0.03 0.00 -1.95 0.00 0.00 55.36 51.83 1fbx s GLN 149 Cb -0.37 -0.90 0.05 0.00 -0.22 0.00 0.00 33.01 31.57 1fbx s GLN 149 CO 0.30 -0.41 0.09 0.08 -0.25 0.00 0.00 175.29 175.10 1fbx s VAL 150 N -3.12 -0.13 0.33 1.09 1.01 -1.26 -0.46 120.40 117.87 1fbx s VAL 150 Ca 0.21 0.15 0.12 0.00 0.00 0.00 0.00 61.98 62.45 1fbx s VAL 150 Cb 0.03 -0.37 0.35 0.00 0.00 0.00 0.00 36.38 36.39 1fbx s VAL 150 CO 0.12 -0.04 1.62 -0.61 0.00 0.00 0.00 175.10 176.19 1fbx h GLN 151 N 8.42 0.14 -0.14 2.72 4.15 -1.99 0.68 115.11 129.09 1fbx h GLN 151 Ca -0.14 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.32 1fbx h GLN 151 Cb 1.13 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 1fbx h GLN 151 CO 0.21 0.09 0.12 0.93 -1.93 0.00 0.00 178.83 178.26 1fbx h GLU 152 N 0.14 0.00 0.00 1.69 3.07 -2.00 -1.86 114.58 115.62 1fbx h GLU 152 Ca 0.71 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 59.39 1fbx h GLU 152 Cb 1.67 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.55 1fbx h GLU 152 CO -0.72 0.00 -1.17 -2.13 -1.40 0.00 0.00 179.01 173.58 1fbx n ARG 153 N -4.14 0.53 -0.41 2.33 0.63 0.23 -3.79 116.66 112.05 1fbx n ARG 153 Ca 0.00 0.52 0.35 0.00 -0.92 0.00 0.00 57.85 57.80 1fbx n ARG 153 Cb 0.24 -1.69 0.67 0.00 0.45 0.00 0.00 32.46 32.13 1fbx n ARG 153 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1fbx h LEU 154 N -1.00 0.19 -0.42 6.15 5.85 -1.30 0.95 115.31 125.73 1fbx h LEU 154 Ca -0.27 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.36 1fbx h LEU 154 Cb 1.10 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1fbx h LEU 154 CO -0.17 -0.03 -0.30 0.74 -0.34 0.00 0.00 178.44 178.35 1fbx h THR 155 N 0.13 1.27 -0.23 1.05 2.02 -1.50 -2.80 112.91 112.86 1fbx h THR 155 Ca 0.69 -1.46 -0.13 0.00 0.77 0.00 0.00 66.41 66.28 1fbx h THR 155 Cb 2.34 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1fbx h THR 155 CO -0.20 0.49 -0.35 1.56 0.37 0.00 0.00 175.52 177.40 1fbx h GLN 156 N 0.76 0.64 -0.56 6.66 1.08 0.68 -3.07 115.11 121.30 1fbx h GLN 156 Ca 0.08 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 1fbx h GLN 156 Cb 0.88 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.32 1fbx h GLN 156 CO 0.08 0.99 0.31 1.96 -0.95 0.00 0.00 178.83 181.23 1fbx h GLN 157 N 0.34 0.78 -0.59 1.46 4.20 -0.74 -1.43 115.11 119.14 1fbx h GLN 157 Ca 0.02 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1fbx h GLN 157 Cb 0.93 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 1fbx h GLN 157 CO 0.08 0.60 0.38 0.82 -0.67 0.00 0.00 178.83 180.03 1fbx h ILE 158 N 0.76 1.11 0.27 2.54 2.04 -1.55 0.76 117.51 123.44 1fbx h ILE 158 Ca 0.20 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1fbx h ILE 158 Cb 0.04 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1fbx h ILE 158 CO -0.03 0.14 -0.20 0.25 0.00 0.00 0.00 178.15 178.31 1fbx h LEU 159 N 0.76 -0.51 -0.93 1.44 5.85 -1.32 -1.09 115.31 119.51 1fbx h LEU 159 Ca 0.23 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 1fbx h LEU 159 Cb -0.03 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1fbx h LEU 159 CO -0.07 -0.31 0.24 0.40 -0.34 0.00 0.00 178.44 178.36 1fbx h ILE 160 N -0.47 1.24 -0.85 4.05 1.08 -1.04 0.15 117.51 121.67 1fbx h ILE 160 Ca -0.02 -0.80 0.03 0.00 -0.39 0.00 0.00 64.86 63.69 1fbx h ILE 160 Cb 0.41 0.46 -0.05 0.00 -3.07 0.00 0.00 36.82 34.57 1fbx h ILE 160 CO -0.00 0.31 0.55 0.00 -0.69 0.00 0.00 178.15 178.32 1fbx h ALA 161 N 1.27 1.12 0.01 1.87 0.00 -0.52 -0.30 119.26 122.72 1fbx h ALA 161 Ca 0.23 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1fbx h ALA 161 Cb 0.23 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1fbx h ALA 161 CO -0.01 0.39 -0.43 -0.07 0.00 0.00 0.00 179.25 179.13 1fbx h LEU 162 N 1.07 0.35 -0.74 0.00 3.38 -0.65 -2.71 115.31 116.02 1fbx h LEU 162 Ca 0.34 -0.80 0.15 0.00 0.09 0.00 0.00 57.88 57.66 1fbx h LEU 162 Cb 0.00 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.54 1fbx h LEU 162 CO -0.11 1.11 0.23 1.56 0.09 0.00 0.00 178.44 181.31 1fbx h GLN 163 N -0.36 0.32 0.73 1.13 4.20 -0.56 0.10 115.11 120.67 1fbx h GLN 163 Ca -0.06 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1fbx h GLN 163 Cb 1.19 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.90 1fbx h GLN 163 CO 0.08 0.21 -0.35 1.15 -0.67 0.00 0.00 178.83 179.26 1fbx h THR 164 N 0.33 0.00 0.00 -0.54 2.02 -1.07 -1.97 112.91 111.69 1fbx h THR 164 Ca 0.42 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.52 1fbx h THR 164 Cb 0.69 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1fbx h THR 164 CO -0.47 0.00 -0.09 -0.07 0.37 0.00 0.00 175.52 175.27 1fbx h LEU 165 N -1.04 0.00 -0.09 2.58 3.38 -1.19 -2.69 115.31 116.25 1fbx h LEU 165 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1fbx h LEU 165 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1fbx h LEU 165 CO 0.16 0.09 -0.52 0.18 0.09 0.00 0.00 178.44 178.44 1fbx n LEU 166 N -4.22 0.66 -2.44 1.67 4.77 0.33 -4.95 117.00 112.81 1fbx n LEU 166 Ca -0.03 -0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 55.65 1fbx n LEU 166 Cb 0.17 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1fbx n LEU 166 CO 0.33 0.15 -0.09 0.61 -1.33 0.00 0.00 177.39 177.06 1fbx n GLY 167 N 1.48 -0.38 3.08 -0.72 0.00 -0.75 -4.66 105.19 103.24 1fbx n GLY 167 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.03 0.18 -0.29 2.61 2.01 -1.12 -4.91 115.64 111.09 1fbx s THR 168 Ca 0.16 -1.49 0.22 0.00 0.31 0.00 0.00 61.69 60.90 1fbx s THR 168 Cb -0.07 -1.18 -0.22 0.00 0.01 0.00 0.00 72.50 71.04 1fbx s THR 168 CO 0.20 -0.82 0.74 0.59 -0.69 0.00 0.00 174.62 174.64 1fbx n ASN 169 N 0.46 0.39 -4.21 3.53 3.02 -1.26 -4.35 115.26 112.85 1fbx n ASN 169 Ca -0.17 -0.09 -0.34 0.00 -0.03 0.00 0.00 54.58 53.96 1fbx n ASN 169 Cb 0.60 1.36 -0.06 0.00 -0.61 0.00 0.00 39.78 41.06 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 -2.20 2.83 -3.88 6.41 3.02 -1.26 -2.71 115.26 117.48 1fbx n ASN 170 Ca -0.01 -2.69 -0.11 0.00 -0.03 0.00 0.00 54.58 51.74 1fbx n ASN 170 Cb 0.51 -1.48 -0.13 0.00 -0.61 0.00 0.00 39.78 38.07 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 8.74 0.03 -0.03 2.41 1.01 -1.22 -2.39 120.40 128.95 1fbx s VAL 171 Ca 0.64 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1fbx s VAL 171 Cb 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.28 1fbx s VAL 171 CO 0.13 -0.15 -0.08 0.00 0.00 0.00 0.00 175.10 175.00 1fbx s ALA 172 N -0.46 0.77 -0.05 5.51 0.00 0.13 -1.52 121.76 126.14 1fbx s ALA 172 Ca -0.05 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1fbx s ALA 172 Cb -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1fbx s ALA 172 CO -0.00 0.11 -0.07 0.08 0.00 0.00 0.00 175.76 175.88 1fbx s VAL 173 N 0.27 0.76 -0.06 0.00 1.01 -0.61 -1.28 120.40 120.49 1fbx s VAL 173 Ca -0.04 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1fbx s VAL 173 Cb -0.09 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1fbx s VAL 173 CO 0.00 0.27 -0.08 -0.55 0.00 0.00 0.00 175.10 174.74 1fbx s SER 174 N 0.74 1.42 -0.07 3.32 0.15 -0.60 -0.19 113.70 118.47 1fbx s SER 174 Ca -0.12 -0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.36 1fbx s SER 174 Cb -0.14 -0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 63.51 1fbx s SER 174 CO 0.02 -0.02 -0.23 -0.63 1.20 0.00 0.00 173.24 173.57 1fbx s ILE 175 N 0.86 2.21 -0.14 6.45 1.01 0.15 -0.67 121.20 131.06 1fbx s ILE 175 Ca -0.12 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1fbx s ILE 175 Cb -0.15 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1fbx s ILE 175 CO 0.01 0.57 -0.15 -0.62 0.00 0.00 0.00 174.94 174.75 1fbx s ASP 176 N -0.11 2.70 0.20 3.58 3.68 -0.72 -0.40 116.67 125.59 1fbx s ASP 176 Ca -0.05 -0.49 -0.15 0.00 2.13 0.00 0.00 52.55 53.99 1fbx s ASP 176 Cb -0.14 -1.20 0.01 0.00 -1.45 0.00 0.00 42.92 40.14 1fbx s ASP 176 CO 0.04 -0.03 0.46 0.00 0.13 0.00 0.00 175.17 175.77 1fbx s ALA 177 N 1.36 -0.61 -0.13 3.66 0.00 0.10 -0.57 121.76 125.57 1fbx s ALA 177 Ca 0.03 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1fbx s ALA 177 Cb -0.13 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1fbx s ALA 177 CO -0.09 -0.78 -0.16 0.08 0.00 0.00 0.00 175.76 174.82 1fbx s VAL 178 N -3.92 2.80 -0.28 0.00 1.01 0.28 -0.26 120.40 120.04 1fbx s VAL 178 Ca 0.13 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 1fbx s VAL 178 Cb 0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1fbx s VAL 178 CO -0.00 0.53 0.10 -1.00 0.00 0.00 0.00 175.10 174.73 1fbx s HIS 179 N 0.42 3.13 -0.51 5.22 3.76 -1.26 0.23 115.29 126.27 1fbx s HIS 179 Ca -0.12 -0.53 0.23 0.00 -0.15 0.00 0.00 55.06 54.49 1fbx s HIS 179 Cb -0.16 -2.28 0.96 0.00 1.11 0.00 0.00 32.58 32.21 1fbx s HIS 179 CO 0.06 -0.41 1.70 0.66 -0.85 0.00 0.00 174.74 175.90 1fbx n TYR 180 N 4.94 0.78 1.97 1.40 4.02 -0.34 -0.98 117.16 128.96 1fbx n TYR 180 Ca -0.15 0.31 0.05 0.00 -0.01 0.00 0.00 57.90 58.09 1fbx n TYR 180 Cb 0.50 -0.99 0.27 0.00 -0.02 0.00 0.00 39.34 39.10 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 -0.61 0.00 -0.03 0.00 0.31 -0.15 -4.68 118.33 113.17 1fbx n VAL 182 Ca 0.07 -0.35 -0.04 0.00 -0.01 0.00 0.00 64.34 64.01 1fbx n VAL 182 Cb 0.04 1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 33.96 1fbx n VAL 182 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1fbx n LYS 183 N -0.67 0.12 -0.07 5.55 4.81 -0.80 -1.59 118.16 125.51 1fbx n LYS 183 Ca 0.00 0.03 0.10 0.00 -0.87 0.00 0.00 58.31 57.58 1fbx n LYS 183 Cb 0.00 -1.00 0.39 0.00 0.02 0.00 0.00 35.03 34.45 1fbx n LYS 183 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fbx n ALA 184 N -2.80 2.53 -3.45 3.14 0.00 0.22 -4.38 120.51 115.76 1fbx n ALA 184 Ca -0.09 -0.46 0.05 0.00 0.00 0.00 0.00 53.44 52.94 1fbx n ALA 184 Cb 0.59 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.93 1fbx n ALA 184 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1fbx n ARG 185 N 0.14 0.24 0.00 0.00 0.00 -1.24 -5.02 116.66 110.79 1fbx n ARG 185 Ca 0.15 -0.61 0.00 0.00 -0.00 0.00 0.00 57.85 57.40 1fbx n ARG 185 Cb 0.28 0.86 0.00 0.00 -0.00 0.00 0.00 32.46 33.60 1fbx n ARG 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fbx n GLY 186 N -0.38 3.52 0.13 2.89 0.00 -1.26 -1.31 105.19 108.77 1fbx n GLY 186 Ca -0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 0.95 -4.03 -0.61 0.13 -1.26 -4.92 119.36 109.62 1fbx n ILE 187 Ca 0.00 0.39 -0.31 0.00 -1.10 0.00 0.00 62.75 61.73 1fbx n ILE 187 Cb 0.00 -1.33 -0.01 0.00 -0.84 0.00 0.00 39.64 37.46 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 -2.16 -3.87 -2.65 9.51 1.74 -0.43 -4.95 116.66 113.86 1fbx n ARG 188 Ca 0.01 0.45 -0.42 0.00 -0.77 0.00 0.00 57.85 57.12 1fbx n ARG 188 Cb 0.16 -5.02 -0.03 0.00 -1.02 0.00 0.00 32.46 26.56 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 -3.71 7.21 0.00 0.55 -1.08 -0.62 -4.88 116.67 114.14 1fbx s ASP 189 Ca 0.44 1.58 0.24 0.00 -0.52 0.00 0.00 52.55 54.29 1fbx s ASP 189 Cb -0.24 -2.56 0.38 0.00 -1.46 0.00 0.00 42.92 39.05 1fbx s ASP 189 CO 0.89 -0.48 1.37 0.00 0.52 0.00 0.00 175.17 177.46 1fbx n ALA 190 N 5.08 2.47 -0.01 3.66 0.00 -1.26 -4.09 120.51 126.36 1fbx n ALA 190 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1fbx n ALA 190 Cb 0.48 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.20 0.00 -2.33 0.00 -2.24 -1.26 -5.06 114.28 104.59 1fbx n THR 191 Ca 0.16 -0.40 -0.31 0.00 -2.27 0.00 0.00 64.05 61.23 1fbx n THR 191 Cb 0.56 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.75 6.42 0.06 3.42 1.04 -1.26 -5.09 113.70 117.54 1fbx s SER 192 Ca 0.00 1.36 -0.10 0.00 0.48 0.00 0.00 55.95 57.68 1fbx s SER 192 Cb 0.00 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.70 1fbx s SER 192 CO 0.00 -0.65 0.23 0.00 0.98 0.00 0.00 173.24 173.80 1fbx s ALA 193 N -2.79 -0.41 -0.08 5.32 0.00 -1.26 -4.84 121.76 117.70 1fbx s ALA 193 Ca 0.55 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1fbx s ALA 193 Cb -0.10 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 1fbx s ALA 193 CO 0.41 -0.43 -0.14 0.99 0.00 0.00 0.00 175.76 176.59 1fbx s THR 194 N -3.04 3.08 -0.21 0.00 2.01 0.64 -4.92 115.64 113.19 1fbx s THR 194 Ca -0.01 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 1fbx s THR 194 Cb 0.01 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.30 1fbx s THR 194 CO -0.06 0.57 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.42 1fbx s THR 195 N -0.33 2.59 0.02 -0.82 2.01 -1.26 -0.72 115.64 117.13 1fbx s THR 195 Ca 0.03 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.19 1fbx s THR 195 Cb -0.13 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1fbx s THR 195 CO 0.02 0.39 -0.15 0.42 -0.69 0.00 0.00 174.62 174.61 1fbx s THR 196 N 1.33 2.99 -0.05 -0.82 -4.23 0.46 -4.96 115.64 110.37 1fbx s THR 196 Ca 0.03 -1.06 -0.04 0.00 -1.18 0.00 0.00 61.69 59.44 1fbx s THR 196 Cb -0.15 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.45 1fbx s THR 196 CO -0.08 0.37 0.13 0.42 -0.54 0.00 0.00 174.62 174.92 1fbx s THR 197 N -0.92 -0.01 -0.11 3.99 -4.23 -1.26 0.30 115.64 113.39 1fbx s THR 197 Ca 0.15 0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.73 1fbx s THR 197 Cb -0.11 -0.19 0.01 0.00 1.34 0.00 0.00 72.50 73.55 1fbx s THR 197 CO 0.05 0.02 -0.21 -0.44 -0.54 0.00 0.00 174.62 173.50 1fbx s SER 198 N 0.29 2.92 0.02 3.99 0.01 0.73 -5.00 113.70 116.66 1fbx s SER 198 Ca -0.02 -0.54 0.06 0.00 1.31 0.00 0.00 55.95 56.76 1fbx s SER 198 Cb -0.03 -1.34 -0.03 0.00 0.21 0.00 0.00 66.02 64.83 1fbx s SER 198 CO -0.01 0.10 -0.15 -0.76 0.41 0.00 0.00 173.24 172.84 1fbx s LEU 199 N 0.62 2.76 0.01 2.44 1.43 -1.26 -1.57 118.68 123.11 1fbx s LEU 199 Ca -0.13 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1fbx s LEU 199 Cb -0.17 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1fbx s LEU 199 CO 0.03 0.28 -0.06 -0.83 0.23 0.00 0.00 176.35 175.99 1fbx s GLY 200 N -1.32 0.35 0.00 -3.19 0.00 -0.58 -4.71 107.32 97.87 1fbx s GLY 200 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1fbx s GLY 200 CO 0.05 -0.37 0.00 0.61 0.00 0.00 0.00 173.10 173.39 1fbx n GLY 201 N 2.54 2.94 0.47 0.20 0.00 -1.10 -2.16 105.19 108.08 1fbx n GLY 201 Ca -0.15 -0.32 0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 0.19 -2.01 0.99 3.38 -1.95 0.65 115.31 116.57 1fbx h LEU 202 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1fbx h LEU 202 Cb 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1fbx h LEU 202 CO 0.00 0.04 -0.09 -0.26 0.09 0.00 0.00 178.44 178.21 1fbx h PHE 203 N 0.17 0.00 0.02 1.13 0.04 -1.72 0.07 116.94 116.65 1fbx h PHE 203 Ca 0.56 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.93 1fbx h PHE 203 Cb 1.86 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.95 1fbx h PHE 203 CO -0.00 0.09 -2.28 1.17 -0.60 0.00 0.00 178.31 176.69 1fbx n LYS 204 N -3.93 0.64 0.06 1.51 4.81 0.22 -3.96 118.16 117.50 1fbx n LYS 204 Ca -0.02 0.26 -0.22 0.00 -0.87 0.00 0.00 58.31 57.46 1fbx n LYS 204 Cb 0.18 -1.57 -0.15 0.00 0.02 0.00 0.00 35.03 33.52 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 -0.45 0.54 -3.50 3.14 4.64 -1.26 -3.44 113.55 113.21 1fbx h SER 205 Ca -0.57 -0.88 -0.59 0.00 -0.47 0.00 0.00 61.79 59.28 1fbx h SER 205 Cb 1.75 -0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 63.57 1fbx h SER 205 CO -0.19 1.76 0.72 -0.55 -0.87 0.00 0.00 176.83 177.69 1fbx s SER 206 N -7.18 6.49 0.43 4.97 0.15 0.01 -4.89 113.70 113.66 1fbx s SER 206 Ca -0.16 0.09 0.16 0.00 0.70 0.00 0.00 55.95 56.73 1fbx s SER 206 Cb 0.06 -2.49 1.06 0.00 -1.71 0.00 0.00 66.02 62.94 1fbx s SER 206 CO 0.83 -1.20 1.92 -0.61 1.20 0.00 0.00 173.24 175.38 1fbx h GLN 207 N 9.24 0.40 -0.41 5.44 5.75 -1.86 0.14 115.11 133.81 1fbx h GLN 207 Ca -0.24 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.15 1fbx h GLN 207 Cb 1.07 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.52 1fbx h GLN 207 CO 1.09 0.26 -0.07 -0.97 -2.65 0.00 0.00 178.83 176.50 1fbx h ASN 208 N 0.41 0.76 -0.18 -0.69 -1.24 -1.91 -2.78 115.58 109.94 1fbx h ASN 208 Ca 0.36 -0.35 -0.13 0.00 0.71 0.00 0.00 56.30 56.89 1fbx h ASN 208 Cb 0.84 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.68 1fbx h ASN 208 CO -0.11 0.93 -0.41 0.74 -1.29 0.00 0.00 177.43 177.28 1fbx h THR 209 N 0.58 1.33 -0.26 -3.57 2.02 -1.57 -2.99 112.91 108.45 1fbx h THR 209 Ca 0.11 -1.65 0.06 0.00 0.77 0.00 0.00 66.41 65.70 1fbx h THR 209 Cb 0.58 1.91 -0.08 0.00 -1.74 0.00 0.00 68.15 68.82 1fbx h THR 209 CO 0.03 0.51 -0.31 -0.09 0.37 0.00 0.00 175.52 176.04 1fbx h ARG 210 N 0.27 -0.30 0.00 6.66 2.43 -0.98 -2.03 114.38 120.44 1fbx h ARG 210 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1fbx h ARG 210 Cb 1.02 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1fbx h ARG 210 CO 0.09 -0.20 0.00 0.45 -1.51 0.00 0.00 179.97 178.80 1fbx h HIS 211 N -0.31 0.00 -0.19 2.20 3.86 -1.57 -1.93 115.15 117.20 1fbx h HIS 211 Ca 0.13 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.16 1fbx h HIS 211 Cb 0.52 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.00 1fbx h HIS 211 CO -0.45 0.00 -0.61 1.49 0.86 0.00 0.00 177.93 179.21 1fbx h GLU 212 N 0.00 0.75 -0.15 2.45 4.81 -1.22 -0.49 114.58 120.73 1fbx h GLU 212 Ca 0.00 -0.56 -0.21 0.00 -0.13 0.00 0.00 59.36 58.47 1fbx h GLU 212 Cb 0.64 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1fbx h GLU 212 CO 0.00 1.17 -0.73 0.35 -0.73 0.00 0.00 179.01 179.07 1fbx h PHE 213 N 0.48 0.92 -0.18 0.92 3.57 -1.29 -2.96 116.94 118.40 1fbx h PHE 213 Ca -0.02 -0.39 -0.15 0.00 3.53 0.00 0.00 57.97 60.93 1fbx h PHE 213 Cb 1.24 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1fbx h PHE 213 CO 0.09 1.20 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.77 1fbx h LEU 214 N 0.48 0.56 -1.85 0.59 3.38 -1.36 -2.76 115.31 114.35 1fbx h LEU 214 Ca -0.04 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1fbx h LEU 214 Cb 1.34 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1fbx h LEU 214 CO 0.14 0.98 -0.12 -0.09 0.09 0.00 0.00 178.44 179.45 1fbx h ARG 215 N 0.39 0.00 -0.01 1.13 2.43 -1.08 -2.32 114.38 114.93 1fbx h ARG 215 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1fbx h ARG 215 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1fbx h ARG 215 CO 0.10 0.12 -0.24 0.00 -1.51 0.00 0.00 179.97 178.44 1fbx n ALA 216 N -2.45 3.04 -2.21 2.80 0.00 -1.05 -4.92 120.51 115.72 1fbx n ALA 216 Ca -0.03 -0.39 -0.29 0.00 0.00 0.00 0.00 53.44 52.74 1fbx n ALA 216 Cb 0.20 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 1fbx n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1fbx s VAL 217 N -2.50 4.86 0.00 0.00 1.01 -0.87 -4.60 120.40 118.29 1fbx s VAL 217 Ca 0.25 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1fbx s VAL 217 Cb 0.19 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1fbx s VAL 217 CO 0.52 -0.79 0.00 -1.14 0.00 0.00 0.00 175.10 173.68 1fbx n ARG 218 N -2.05 0.00 -3.26 2.72 3.00 -1.26 -5.02 116.66 110.80 1fbx n ARG 218 Ca 0.02 0.07 -0.44 0.00 -0.00 0.00 0.00 57.85 57.50 1fbx n ARG 218 Cb 0.55 -1.40 -0.00 0.00 0.00 0.00 0.00 32.46 31.61 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 -1.33 4.39 -1.56 -0.14 8.25 -1.26 -4.99 115.22 118.59 1fbx n HIS 219 Ca 0.00 -3.56 -0.14 0.00 -0.26 0.00 0.00 57.72 53.76 1fbx n HIS 219 Cb 0.47 -1.55 -0.07 0.00 1.12 0.00 0.00 29.99 29.95 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 2.26 1.15 -0.63 4.41 -0.00 -1.26 -4.86 115.22 116.29 1fbx n HIS 220 Ca 0.25 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.41 1fbx n HIS 220 Cb 0.37 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.66 1fbx n HIS 220 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89