#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 -4.29 3.54 2.88 -1.26 -5.16 113.62 109.33 1fbx n SER 2 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1fbx n SER 2 Cb 0.00 0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 63.78 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 -4.56 2.51 -0.02 2.46 1.43 -1.26 -4.75 118.68 114.49 1fbx s LEU 3 Ca 0.00 -1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.06 1fbx s LEU 3 Cb 0.00 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 1fbx s LEU 3 CO 0.00 -0.29 0.07 -0.94 0.23 0.00 0.00 176.35 175.42 1fbx s SER 4 N -3.24 5.63 0.16 2.29 1.04 -1.26 -4.95 113.70 113.37 1fbx s SER 4 Ca 0.20 0.15 -0.15 0.00 0.48 0.00 0.00 55.95 56.63 1fbx s SER 4 Cb 0.02 -1.62 0.13 0.00 0.10 0.00 0.00 66.02 64.65 1fbx s SER 4 CO 0.04 0.29 1.15 0.29 0.98 0.00 0.00 173.24 175.99 1fbx n LYS 5 N 1.35 -0.21 0.17 4.02 5.02 -1.26 -0.66 118.16 126.59 1fbx n LYS 5 Ca -0.14 1.14 -0.14 0.00 -2.02 0.00 0.00 58.31 57.15 1fbx n LYS 5 Cb 0.53 -1.69 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 1fbx n LYS 5 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1fbx h GLU 6 N 0.00 -0.58 -0.22 1.97 3.07 -1.97 -1.22 114.58 115.63 1fbx h GLU 6 Ca 0.23 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.18 1fbx h GLU 6 Cb 0.41 0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 28.38 1fbx h GLU 6 CO -0.73 -0.39 -0.33 0.00 -1.40 0.00 0.00 179.01 176.17 1fbx h ALA 7 N -0.00 -0.32 -0.94 3.43 0.00 -1.25 0.07 119.26 120.25 1fbx h ALA 7 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1fbx h ALA 7 Cb 0.58 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1fbx h ALA 7 CO -0.11 -0.78 0.62 0.00 0.00 0.00 0.00 179.25 178.98 1fbx h ALA 8 N 0.53 1.38 -0.19 0.00 0.00 -0.96 0.19 119.26 120.20 1fbx h ALA 8 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1fbx h ALA 8 Cb 0.54 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1fbx h ALA 8 CO -0.42 0.54 0.11 -0.07 0.00 0.00 0.00 179.25 179.41 1fbx h LEU 9 N 1.21 0.24 0.38 0.00 3.38 -0.43 -2.07 115.31 118.00 1fbx h LEU 9 Ca 0.37 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1fbx h LEU 9 Cb -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1fbx h LEU 9 CO -0.10 0.25 -0.18 0.58 0.09 0.00 0.00 178.44 179.07 1fbx h VAL 10 N 0.21 0.64 -0.76 1.22 2.07 -0.45 -1.71 116.25 117.47 1fbx h VAL 10 Ca 0.07 -0.18 0.15 0.00 0.82 0.00 0.00 66.70 67.56 1fbx h VAL 10 Cb 0.06 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1fbx h VAL 10 CO -0.01 0.04 0.51 -0.74 0.02 0.00 0.00 177.57 177.38 1fbx h HIS 11 N -0.60 0.51 -0.04 1.57 -0.00 -0.95 -1.56 115.15 114.08 1fbx h HIS 11 Ca -0.05 0.01 -0.24 0.00 -0.00 0.00 0.00 60.37 60.09 1fbx h HIS 11 Cb 0.44 -0.16 0.02 0.00 -0.00 0.00 0.00 27.41 27.71 1fbx h HIS 11 CO -0.03 0.20 -0.91 0.93 -0.00 0.00 0.00 177.93 178.12 1fbx h GLU 12 N 0.44 0.69 -0.56 5.26 5.08 -1.15 -1.89 114.58 122.44 1fbx h GLU 12 Ca 0.37 -0.69 0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1fbx h GLU 12 Cb 0.82 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 1fbx h GLU 12 CO -0.12 1.28 0.36 0.00 -1.00 0.00 0.00 179.01 179.52 1fbx h ALA 13 N 0.43 0.72 -0.54 3.43 0.00 -0.64 0.17 119.26 122.83 1fbx h ALA 13 Ca -0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1fbx h ALA 13 Cb 1.56 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1fbx h ALA 13 CO 0.18 0.10 -0.12 -0.07 0.00 0.00 0.00 179.25 179.35 1fbx h LEU 14 N 0.71 1.04 -0.31 0.00 3.38 -1.32 -2.14 115.31 116.67 1fbx h LEU 14 Ca 0.22 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1fbx h LEU 14 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1fbx h LEU 14 CO -0.08 1.15 -0.04 0.58 0.09 0.00 0.00 178.44 180.15 1fbx h VAL 15 N 0.92 1.27 -0.90 1.22 2.07 -0.78 0.60 116.25 120.65 1fbx h VAL 15 Ca 0.14 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.71 1fbx h VAL 15 Cb 0.69 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 1fbx h VAL 15 CO 0.05 0.34 0.54 0.00 0.02 0.00 0.00 177.57 178.52 1fbx h ALA 16 N 0.82 1.29 -0.00 1.67 0.00 -0.53 -0.25 119.26 122.25 1fbx h ALA 16 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1fbx h ALA 16 Cb 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1fbx h ALA 16 CO 0.02 0.20 -0.08 0.54 0.00 0.00 0.00 179.25 179.94 1fbx n ARG 17 N -4.66 0.65 -2.44 0.00 3.00 -0.82 -4.93 116.66 107.46 1fbx n ARG 17 Ca 0.15 -0.17 -0.09 0.00 -0.01 0.00 0.00 57.85 57.72 1fbx n ARG 17 Cb 0.27 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.24 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 1.27 0.10 0.14 -0.13 0.00 -0.11 -4.94 105.19 101.53 1fbx n GLY 18 Ca 0.15 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.68 2.33 -4.84 0.99 4.77 0.09 -5.02 117.00 113.63 1fbx n LEU 19 Ca -0.07 -2.42 -0.31 0.00 -0.03 0.00 0.00 56.01 53.18 1fbx n LEU 19 Cb 0.56 -0.20 0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1fbx n LEU 19 CO 0.18 0.60 0.71 -1.61 -1.33 0.00 0.00 177.39 175.94 1fbx s GLU 20 N -1.73 3.18 0.33 3.23 0.41 -1.20 -4.80 118.70 118.12 1fbx s GLU 20 Ca 0.15 0.88 -0.29 0.00 -0.41 0.00 0.00 54.97 55.31 1fbx s GLU 20 Cb 0.13 -2.02 -0.10 0.00 -1.78 0.00 0.00 34.13 30.35 1fbx s GLU 20 CO 0.03 -0.91 1.37 0.99 -0.49 0.00 0.00 175.26 176.25 1fbx s THR 21 N -3.09 2.52 -0.35 3.63 2.01 -1.26 -4.84 115.64 114.26 1fbx s THR 21 Ca 0.57 0.52 -0.28 0.00 0.31 0.00 0.00 61.69 62.80 1fbx s THR 21 Cb -0.13 -3.33 -0.07 0.00 0.01 0.00 0.00 72.50 68.98 1fbx s THR 21 CO 0.55 0.12 2.31 -2.65 -0.69 0.00 0.00 174.62 174.25 1fbx n PRO 22 N 0.89 1.47 -4.76 4.92 -0.02 -1.26 -4.92 135.00 131.32 1fbx n PRO 22 Ca 0.01 0.30 -0.24 0.00 -2.02 0.00 0.00 63.50 61.54 1fbx n PRO 22 Cb 0.41 -3.17 -0.15 0.00 -0.02 0.00 0.00 33.50 30.57 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 9.63 2.07 -0.16 2.45 1.02 -1.26 -5.13 118.68 127.30 1fbx s LEU 23 Ca 1.02 -0.36 -0.06 0.00 0.02 0.00 0.00 54.13 54.75 1fbx s LEU 23 Cb -0.37 -0.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.92 1fbx s LEU 23 CO 0.34 0.19 0.06 -0.13 0.02 0.00 0.00 176.35 176.83 1fbx s ARG 24 N -0.59 3.75 0.20 1.70 0.52 -1.26 -5.06 118.95 118.21 1fbx s ARG 24 Ca 0.06 -0.34 -0.31 0.00 -0.52 0.00 0.00 55.73 54.63 1fbx s ARG 24 Cb -0.07 -3.13 -0.16 0.00 0.52 0.00 0.00 34.95 32.11 1fbx s ARG 24 CO -0.00 0.40 0.98 -2.30 0.02 0.00 0.00 175.30 174.40 1fbx n PRO 25 N 3.14 0.92 -0.36 3.54 -0.02 -1.26 -4.83 135.00 136.12 1fbx n PRO 25 Ca -0.17 0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 1fbx n PRO 25 Cb 0.53 -1.68 -0.08 0.00 -0.02 0.00 0.00 33.50 32.24 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 2.44 -0.07 0.00 0.52 0.11 -2.04 -3.46 132.00 129.50 1fbx h PRO 26 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1fbx h PRO 26 Cb 1.37 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1fbx h PRO 26 CO 0.64 -0.05 0.00 0.28 -0.21 0.00 0.00 178.00 178.66 1fbx n VAL 27 N -5.30 0.00 -4.70 3.15 0.31 -1.26 -4.98 118.33 105.55 1fbx n VAL 27 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.05 1fbx n VAL 27 Cb 0.29 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.09 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 2.45 -0.21 3.52 -3.43 -1.26 -5.02 115.29 111.34 1fbx s HIS 28 Ca 0.00 -0.32 -0.28 0.00 -0.80 0.00 0.00 55.06 53.66 1fbx s HIS 28 Cb 0.00 -1.41 -0.32 0.00 -1.43 0.00 0.00 32.58 29.41 1fbx s HIS 28 CO 0.00 0.23 1.62 0.39 -2.00 0.00 0.00 174.74 174.98 1fbx n GLU 29 N 1.52 0.02 -2.59 -0.38 1.02 -1.26 -4.87 120.64 114.09 1fbx n GLU 29 Ca -0.17 -1.07 -0.43 0.00 -0.02 0.00 0.00 57.16 55.48 1fbx n GLU 29 Cb 0.52 -2.68 -0.02 0.00 -0.02 0.00 0.00 31.44 29.24 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 7.05 4.04 0.18 3.49 1.75 -1.26 -4.98 119.30 129.58 1fbx s MET 30 Ca 0.67 1.11 -0.33 0.00 -1.25 0.00 0.00 55.69 55.89 1fbx s MET 30 Cb 0.10 -3.76 -0.15 0.00 2.84 0.00 0.00 34.83 33.86 1fbx s MET 30 CO 0.29 -0.94 1.29 -3.47 -0.65 0.00 0.00 175.02 171.55 1fbx n ASP 31 N 7.00 1.97 -0.31 1.11 2.03 -1.26 -4.81 116.55 122.28 1fbx n ASP 31 Ca 0.13 1.13 0.10 0.00 0.52 0.00 0.00 54.79 56.67 1fbx n ASP 31 Cb 0.47 -1.30 0.31 0.00 -0.72 0.00 0.00 41.12 39.88 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 3.98 0.79 0.67 1.67 4.21 -2.00 0.67 115.58 125.56 1fbx h ASN 32 Ca -0.44 0.04 -0.02 0.00 1.21 0.00 0.00 56.30 57.09 1fbx h ASN 32 Cb 1.31 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 38.40 1fbx h ASN 32 CO 0.74 0.41 -0.10 -0.33 -1.29 0.00 0.00 177.43 176.86 1fbx h GLU 33 N 0.84 0.00 0.09 0.81 5.08 -2.00 -1.27 114.58 118.12 1fbx h GLU 33 Ca 0.47 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.57 1fbx h GLU 33 Cb 0.61 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.88 1fbx h GLU 33 CO -0.24 0.10 -1.06 1.15 -1.00 0.00 0.00 179.01 177.97 1fbx h THR 34 N 0.00 1.33 -0.09 1.13 2.02 -1.25 -3.09 112.91 112.96 1fbx h THR 34 Ca -0.00 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1fbx h THR 34 Cb 0.46 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 1fbx h THR 34 CO 0.01 0.71 0.05 0.03 0.37 0.00 0.00 175.52 176.69 1fbx h ARG 35 N 0.15 0.10 -0.82 6.66 3.08 -0.81 -1.34 114.38 121.40 1fbx h ARG 35 Ca -0.16 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.97 1fbx h ARG 35 Cb 1.75 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.71 1fbx h ARG 35 CO 0.20 0.07 0.48 0.87 -1.07 0.00 0.00 179.97 180.53 1fbx h LYS 36 N 0.10 0.82 -0.22 0.04 1.57 -1.32 0.11 116.57 117.68 1fbx h LYS 36 Ca 0.04 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 1fbx h LYS 36 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1fbx h LYS 36 CO -0.02 0.54 -0.54 0.66 -0.57 0.00 0.00 179.45 179.52 1fbx h SER 37 N 0.85 0.84 -0.61 0.86 4.64 -1.40 0.62 113.55 119.34 1fbx h SER 37 Ca 0.38 -0.57 0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1fbx h SER 37 Cb 0.28 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 1fbx h SER 37 CO -0.21 1.26 0.36 -0.07 -0.87 0.00 0.00 176.83 177.30 1fbx h LEU 38 N 0.47 0.57 0.14 5.97 3.38 -0.78 0.73 115.31 125.79 1fbx h LEU 38 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1fbx h LEU 38 Cb 1.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1fbx h LEU 38 CO 0.12 0.39 -0.07 0.40 0.09 0.00 0.00 178.44 179.37 1fbx h ILE 39 N 0.70 0.92 -0.45 1.22 2.04 -0.54 -1.05 117.51 120.35 1fbx h ILE 39 Ca 0.25 -0.27 0.12 0.00 1.00 0.00 0.00 64.86 65.96 1fbx h ILE 39 Cb 0.06 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1fbx h ILE 39 CO -0.12 0.06 0.32 0.00 0.00 0.00 0.00 178.15 178.41 1fbx h ALA 40 N 0.52 2.34 0.09 1.87 0.00 0.69 0.02 119.26 124.79 1fbx h ALA 40 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fbx h ALA 40 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1fbx h ALA 40 CO 0.03 -0.47 -0.04 0.78 0.00 0.00 0.00 179.25 179.55 1fbx h GLY 41 N 0.06 -0.13 1.63 0.00 0.00 0.17 -1.60 103.07 103.20 1fbx h GLY 41 Ca 0.21 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.53 1fbx h GLY 41 CO -0.02 -0.05 -0.08 0.45 0.00 0.00 0.00 176.54 176.85 1fbx h HIS 42 N -0.37 0.48 -0.62 5.60 -0.00 -0.45 -1.70 115.15 118.10 1fbx h HIS 42 Ca -0.01 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.25 1fbx h HIS 42 Cb 0.31 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.56 1fbx h HIS 42 CO 0.01 0.53 0.19 0.52 -0.00 0.00 0.00 177.93 179.19 1fbx h MET 43 N 0.44 0.93 -0.16 2.45 2.86 -0.81 0.03 114.93 120.67 1fbx h MET 43 Ca 0.09 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1fbx h MET 43 Cb 0.41 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1fbx h MET 43 CO 0.02 0.80 0.09 1.15 1.06 0.00 0.00 176.91 180.03 1fbx h THR 44 N 0.90 1.10 -0.51 2.22 2.02 -0.44 0.13 112.91 118.33 1fbx h THR 44 Ca 0.20 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1fbx h THR 44 Cb 0.26 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1fbx h THR 44 CO -0.01 0.09 0.26 -0.33 0.37 0.00 0.00 175.52 175.90 1fbx h GLU 45 N 0.16 0.49 -0.65 6.66 5.08 -0.99 -0.65 114.58 124.67 1fbx h GLU 45 Ca 0.06 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1fbx h GLU 45 Cb 0.07 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1fbx h GLU 45 CO -0.01 0.32 0.42 0.82 -1.00 0.00 0.00 179.01 179.56 1fbx h ILE 46 N 0.50 1.12 -0.12 3.13 2.04 -0.37 -0.49 117.51 123.32 1fbx h ILE 46 Ca 0.22 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 1fbx h ILE 46 Cb 0.13 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1fbx h ILE 46 CO -0.15 0.15 -0.37 0.24 0.00 0.00 0.00 178.15 178.02 1fbx h MET 47 N 0.83 0.24 0.00 2.37 2.86 -0.37 -2.15 114.93 118.72 1fbx h MET 47 Ca 0.25 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.68 1fbx h MET 47 Cb -0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1fbx h MET 47 CO -0.08 0.58 -0.52 1.96 1.06 0.00 0.00 176.91 179.91 1fbx h GLN 48 N 0.21 0.00 0.00 1.72 4.20 -0.41 -2.43 115.11 118.40 1fbx h GLN 48 Ca 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1fbx h GLN 48 Cb 0.75 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 1fbx h GLN 48 CO 0.06 0.52 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.56 1fbx h LEU 49 N 0.00 0.00 -0.88 1.46 3.38 -0.46 -1.40 115.31 117.41 1fbx h LEU 49 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fbx h LEU 49 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1fbx h LEU 49 CO 0.07 0.10 -0.07 0.18 0.09 0.00 0.00 178.44 178.81 1fbx n LEU 50 N -3.31 1.44 -0.70 1.67 4.77 -0.96 -4.94 117.00 114.98 1fbx n LEU 50 Ca -0.00 -0.46 -0.06 0.00 -0.03 0.00 0.00 56.01 55.45 1fbx n LEU 50 Cb 0.31 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1fbx n LEU 50 CO 0.29 0.25 -0.08 0.59 -1.33 0.00 0.00 177.39 177.11 1fbx n ASN 51 N 0.00 -2.54 -4.83 -1.43 3.02 -0.53 -5.02 115.26 103.93 1fbx n ASN 51 Ca 0.17 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.35 1fbx n ASN 51 Cb 0.36 -1.82 -0.06 0.00 -0.61 0.00 0.00 39.78 37.65 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 -1.77 4.46 -0.91 3.41 1.43 -0.97 -4.99 118.68 119.33 1fbx s LEU 52 Ca 0.00 1.13 -0.24 0.00 -1.03 0.00 0.00 54.13 53.99 1fbx s LEU 52 Cb 0.00 -2.94 0.01 0.00 0.03 0.00 0.00 46.19 43.29 1fbx s LEU 52 CO 0.00 0.23 1.59 -0.62 0.23 0.00 0.00 176.35 177.78 1fbx s ASP 53 N -1.30 5.98 0.00 2.29 -1.08 -1.26 -4.64 116.67 116.66 1fbx s ASP 53 Ca 0.31 -0.94 0.08 0.00 -0.52 0.00 0.00 52.55 51.47 1fbx s ASP 53 Cb -0.17 -2.56 0.43 0.00 -1.46 0.00 0.00 42.92 39.15 1fbx s ASP 53 CO 0.18 -1.96 0.96 0.18 0.52 0.00 0.00 175.17 175.04 1fbx n LEU 54 N 10.65 0.00 -0.23 -1.34 4.77 -1.26 -1.32 117.00 128.27 1fbx n LEU 54 Ca 0.29 0.08 0.13 0.00 -0.03 0.00 0.00 56.01 56.48 1fbx n LEU 54 Cb 0.50 -0.08 0.47 0.00 -2.33 0.00 0.00 43.42 41.98 1fbx n LEU 54 CO 0.66 -0.06 0.74 0.00 -1.33 0.00 0.00 177.39 177.40 1fbx n ALA 55 N -1.08 2.93 -1.77 -1.18 0.00 -1.26 -3.91 120.51 114.24 1fbx n ALA 55 Ca 0.05 -0.37 -0.40 0.00 0.00 0.00 0.00 53.44 52.73 1fbx n ALA 55 Cb 0.03 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 1fbx n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1fbx s ASP 56 N -2.43 6.74 0.19 0.00 2.15 -0.43 -4.91 116.67 117.97 1fbx s ASP 56 Ca 0.27 2.50 0.15 0.00 0.43 0.00 0.00 52.55 55.90 1fbx s ASP 56 Cb 0.20 -2.63 0.75 0.00 -0.30 0.00 0.00 42.92 40.93 1fbx s ASP 56 CO 0.48 -0.54 1.45 -0.90 -0.17 0.00 0.00 175.17 175.49 1fbx n ASP 57 N 0.58 0.36 -0.02 -0.34 5.75 -1.26 -2.11 116.55 119.51 1fbx n ASP 57 Ca 0.01 0.65 0.05 0.00 -0.01 0.00 0.00 54.79 55.50 1fbx n ASP 57 Cb 0.44 -0.71 -0.13 0.00 -1.03 0.00 0.00 41.12 39.69 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 -1.97 1.09 -0.55 -1.12 2.88 -1.26 -4.55 113.62 108.14 1fbx n SER 58 Ca -0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1fbx n SER 58 Cb 0.05 1.61 0.02 0.00 -0.75 0.00 0.00 64.21 65.14 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 -2.19 2.12 -0.11 2.46 4.77 -0.92 -4.61 117.00 118.52 1fbx n LEU 59 Ca -0.08 -0.81 -0.13 0.00 -0.03 0.00 0.00 56.01 54.96 1fbx n LEU 59 Cb 0.56 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1fbx n LEU 59 CO 0.36 0.39 0.58 -0.03 -1.33 0.00 0.00 177.39 177.35 1fbx h MET 60 N 2.70 0.79 -0.00 3.23 4.05 -1.54 -3.10 114.93 121.05 1fbx h MET 60 Ca 0.00 -0.40 0.00 0.00 -0.28 0.00 0.00 59.70 59.02 1fbx h MET 60 Cb 0.74 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.55 1fbx h MET 60 CO 0.00 1.03 -0.12 0.39 0.23 0.00 0.00 176.91 178.44 1fbx n GLU 61 N -4.21 0.64 0.15 0.39 -0.58 -1.26 -4.41 120.64 111.36 1fbx n GLU 61 Ca -0.03 -0.22 -0.16 0.00 -0.42 0.00 0.00 57.16 56.33 1fbx n GLU 61 Cb 0.48 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.77 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 0.54 0.09 -1.01 2.62 2.02 -1.81 0.53 112.91 115.89 1fbx h THR 62 Ca 0.00 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.41 1fbx h THR 62 Cb 0.37 0.09 -0.11 0.00 -1.74 0.00 0.00 68.15 66.76 1fbx h THR 62 CO 0.00 0.00 0.62 -0.65 0.37 0.00 0.00 175.52 175.86 1fbx h PRO 63 N -0.76 0.58 -0.18 6.66 0.11 -1.79 0.28 132.00 136.91 1fbx h PRO 63 Ca -0.00 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 1fbx h PRO 63 Cb 0.74 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1fbx h PRO 63 CO -0.22 0.39 -0.29 1.25 -0.21 0.00 0.00 178.00 178.92 1fbx h HIS 64 N 0.60 0.64 -0.69 0.65 6.17 -1.68 -2.31 115.15 118.53 1fbx h HIS 64 Ca 0.60 -0.22 -0.01 0.00 0.71 0.00 0.00 60.37 61.45 1fbx h HIS 64 Cb 1.17 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 30.94 1fbx h HIS 64 CO -0.00 0.93 0.38 0.00 0.71 0.00 0.00 177.93 179.95 1fbx h ARG 65 N 0.17 0.97 0.32 5.26 3.08 0.24 -1.96 114.38 122.46 1fbx h ARG 65 Ca 0.02 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1fbx h ARG 65 Cb 0.87 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1fbx h ARG 65 CO 0.07 0.73 -0.15 0.82 -1.07 0.00 0.00 179.97 180.36 1fbx h ILE 66 N 0.95 0.71 -0.72 2.04 2.04 -0.57 -1.34 117.51 120.62 1fbx h ILE 66 Ca 0.24 -0.33 0.16 0.00 1.00 0.00 0.00 64.86 65.93 1fbx h ILE 66 Cb 0.04 0.89 -0.12 0.00 -0.74 0.00 0.00 36.82 36.89 1fbx h ILE 66 CO -0.04 0.07 0.07 0.00 0.00 0.00 0.00 178.15 178.25 1fbx h ALA 67 N 0.01 0.82 -0.52 1.87 0.00 -1.28 0.17 119.26 120.33 1fbx h ALA 67 Ca -0.04 0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1fbx h ALA 67 Cb 0.44 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1fbx h ALA 67 CO 0.07 -0.39 -0.16 -0.22 0.00 0.00 0.00 179.25 178.55 1fbx h LYS 68 N 0.16 1.03 -0.08 0.00 3.64 -1.26 -2.04 116.57 118.02 1fbx h LYS 68 Ca 0.40 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1fbx h LYS 68 Cb 0.69 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1fbx h LYS 68 CO -0.58 1.09 0.03 1.98 -2.27 0.00 0.00 179.45 179.70 1fbx h MET 69 N 0.90 0.12 0.49 1.90 4.05 0.08 0.28 114.93 122.75 1fbx h MET 69 Ca 0.13 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1fbx h MET 69 Cb 0.73 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 1fbx h MET 69 CO 0.06 0.28 -0.41 1.88 0.23 0.00 0.00 176.91 178.94 1fbx h TYR 70 N -0.06 -1.11 -0.29 1.39 -1.99 -0.70 0.98 116.97 115.19 1fbx h TYR 70 Ca 0.03 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.61 1fbx h TYR 70 Cb 0.21 0.42 -0.00 0.00 2.00 0.00 0.00 36.73 39.36 1fbx h TYR 70 CO -0.01 -0.58 -0.39 0.28 -0.00 0.00 0.00 178.16 177.46 1fbx h VAL 71 N -0.89 1.29 0.01 -2.88 2.07 -1.37 -2.45 116.25 112.03 1fbx h VAL 71 Ca -0.05 -1.57 -0.32 0.00 0.82 0.00 0.00 66.70 65.57 1fbx h VAL 71 Cb 0.77 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 1fbx h VAL 71 CO -0.02 0.51 -1.94 0.47 0.02 0.00 0.00 177.57 176.61 1fbx n ASP 72 N -4.16 0.74 0.00 0.57 8.00 0.97 -4.24 116.55 118.44 1fbx n ASP 72 Ca -0.04 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1fbx n ASP 72 Cb 0.53 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 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 -3.00 0.00 0.00 -1.24 1.02 0.21 -4.48 120.64 113.15 1fbx n GLU 73 Ca -0.23 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 56.92 1fbx n GLU 73 Cb 1.08 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 32.55 1fbx n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1fbx n ILE 74 N -0.14 1.60 -1.27 -3.67 -5.35 -0.44 -1.86 119.36 108.23 1fbx n ILE 74 Ca 0.00 0.40 0.05 0.00 -0.27 0.00 0.00 62.75 62.93 1fbx n ILE 74 Cb 0.00 -1.36 0.07 0.00 -1.74 0.00 0.00 39.64 36.61 1fbx n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1fbx n PHE 75 N -1.43 0.00 0.29 4.28 3.72 -0.92 -3.10 117.46 120.30 1fbx n PHE 75 Ca 0.01 -0.58 0.16 0.00 -0.05 0.00 0.00 57.45 56.99 1fbx n PHE 75 Cb 0.02 -0.10 0.87 0.00 -0.94 0.00 0.00 39.48 39.33 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 0.00 0.00 0.22 4.37 4.64 -1.44 -1.77 113.55 119.57 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 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1fbx h SER 76 CO 0.00 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 1fbx n GLY 77 N -0.82 -0.72 0.01 -0.77 0.00 -0.49 -1.93 105.19 100.45 1fbx n GLY 77 Ca -0.02 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.21 0.21 -4.10 0.99 4.77 -0.66 -4.60 117.00 112.39 1fbx n LEU 78 Ca 0.09 0.29 -0.33 0.00 -0.03 0.00 0.00 56.01 56.02 1fbx n LEU 78 Cb 0.11 -0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 40.66 1fbx n LEU 78 CO 0.11 0.05 -0.38 -0.62 -1.33 0.00 0.00 177.39 175.22 1fbx s ASP 79 N -2.97 4.72 0.00 -1.43 2.15 -0.81 -4.97 116.67 113.37 1fbx s ASP 79 Ca 0.14 -1.54 0.00 0.00 0.43 0.00 0.00 52.55 51.58 1fbx s ASP 79 Cb 0.19 -1.64 0.00 0.00 -0.30 0.00 0.00 42.92 41.16 1fbx s ASP 79 CO 0.59 -0.28 0.74 -1.22 -0.17 0.00 0.00 175.17 174.84 1fbx n TYR 80 N 4.48 0.00 0.66 -5.34 4.02 -1.26 -0.15 117.16 119.57 1fbx n TYR 80 Ca -0.10 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.88 1fbx n TYR 80 Cb 0.42 -0.27 0.38 0.00 -0.02 0.00 0.00 39.34 39.86 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 -1.24 1.82 0.02 -0.72 0.00 -1.26 -1.90 120.51 117.23 1fbx n ALA 81 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1fbx n ALA 81 Cb 0.04 -1.27 0.17 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.43 3.03 -4.74 0.00 3.02 0.79 -4.98 115.26 110.97 1fbx n ASN 82 Ca 0.05 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.29 1fbx n ASN 82 Cb 0.18 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 1fbx n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1fbx s PHE 83 N -1.10 2.79 0.70 3.10 5.36 -0.80 -4.94 117.98 123.10 1fbx s PHE 83 Ca 0.29 0.58 -0.16 0.00 -0.96 0.00 0.00 56.93 56.69 1fbx s PHE 83 Cb 0.16 -4.12 0.02 0.00 -0.34 0.00 0.00 43.02 38.75 1fbx s PHE 83 CO 0.22 -3.97 1.20 -1.25 -1.46 0.00 0.00 175.22 169.96 1fbx s PRO 84 N 0.17 2.33 0.25 10.12 0.04 -1.26 -4.98 135.00 141.67 1fbx s PRO 84 Ca 0.68 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 1fbx s PRO 84 Cb -0.49 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 1fbx s PRO 84 CO 0.42 -1.68 1.05 0.15 0.04 0.00 0.00 177.00 176.97 1fbx s LYS 85 N -3.84 4.70 -0.16 4.56 1.02 -1.26 -4.94 119.74 119.82 1fbx s LYS 85 Ca 0.74 1.69 -0.06 0.00 0.02 0.00 0.00 55.97 58.37 1fbx s LYS 85 Cb -0.29 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1fbx s LYS 85 CO 0.43 0.29 0.02 0.42 -0.92 0.00 0.00 175.35 175.60 1fbx s ILE 86 N -1.03 4.44 -0.13 2.17 -1.09 -1.26 -4.96 121.20 119.33 1fbx s ILE 86 Ca 0.44 -0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.72 1fbx s ILE 86 Cb -0.30 -2.97 0.01 0.00 -1.58 0.00 0.00 42.46 37.63 1fbx s ILE 86 CO 0.37 0.49 -0.20 0.42 -1.23 0.00 0.00 174.94 174.80 1fbx s THR 87 N 0.20 1.87 -0.27 2.92 -4.23 -1.26 -5.10 115.64 109.77 1fbx s THR 87 Ca 0.02 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1fbx s THR 87 Cb -0.13 -1.67 0.08 0.00 1.34 0.00 0.00 72.50 72.12 1fbx s THR 87 CO 0.01 0.51 0.04 -0.76 -0.54 0.00 0.00 174.62 173.88 1fbx s LEU 88 N 0.91 2.39 0.50 4.79 1.43 -1.26 -1.87 118.68 125.58 1fbx s LEU 88 Ca -0.06 -1.40 -0.16 0.00 -1.03 0.00 0.00 54.13 51.49 1fbx s LEU 88 Cb -0.15 -0.98 -0.08 0.00 0.03 0.00 0.00 46.19 45.01 1fbx s LEU 88 CO -0.03 -0.34 0.96 0.27 0.23 0.00 0.00 176.35 177.44 1fbx s ILE 89 N 1.53 4.57 0.42 -0.59 -4.36 -0.88 -4.85 121.20 117.04 1fbx s ILE 89 Ca 0.03 1.13 -0.25 0.00 -0.26 0.00 0.00 60.65 61.30 1fbx s ILE 89 Cb -0.18 -3.72 -0.08 0.00 1.25 0.00 0.00 42.46 39.73 1fbx s ILE 89 CO -0.14 -0.67 1.19 -0.70 0.24 0.00 0.00 174.94 174.85 1fbx s GLU 90 N -4.06 3.94 -1.40 0.37 2.12 -1.26 -0.93 118.70 117.49 1fbx s GLU 90 Ca 0.58 1.86 -0.14 0.00 0.36 0.00 0.00 54.97 57.62 1fbx s GLU 90 Cb -0.10 -2.60 0.00 0.00 0.26 0.00 0.00 34.13 31.69 1fbx s GLU 90 CO 0.32 -0.42 2.28 -1.71 -0.54 0.00 0.00 175.26 175.19 1fbx n ASN 91 N -0.10 4.30 0.03 -1.70 5.15 0.16 -4.63 115.26 118.48 1fbx n ASN 91 Ca 0.05 -2.78 -0.15 0.00 -0.60 0.00 0.00 54.58 51.09 1fbx n ASN 91 Cb 0.47 -1.58 -0.05 0.00 -0.53 0.00 0.00 39.78 38.08 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 6.09 0.59 0.00 1.20 1.57 -1.91 -2.79 116.57 121.32 1fbx h LYS 92 Ca 0.59 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1fbx h LYS 92 Cb 0.59 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1fbx h LYS 92 CO 1.88 1.18 0.00 -1.33 -0.57 0.00 0.00 179.45 180.61 1fbx n MET 93 N -3.84 0.00 -3.87 3.15 2.81 -1.26 -4.80 117.12 109.31 1fbx n MET 93 Ca -0.08 0.10 -0.28 0.00 -1.81 0.00 0.00 57.70 55.63 1fbx n MET 93 Cb 0.80 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 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 -1.10 -2.67 -2.65 0.03 5.02 -1.05 -4.89 118.16 110.86 1fbx n LYS 94 Ca 0.00 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.28 1fbx n LYS 94 Cb 0.00 -4.36 -0.03 0.00 -0.02 0.00 0.00 35.03 30.62 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 -3.79 4.69 -0.07 -0.18 1.01 -1.26 -4.91 120.40 115.88 1fbx s VAL 95 Ca 0.15 1.94 0.10 0.00 0.00 0.00 0.00 61.98 64.18 1fbx s VAL 95 Cb -0.06 -4.25 0.16 0.00 0.00 0.00 0.00 36.38 32.23 1fbx s VAL 95 CO 0.88 0.09 1.08 -0.90 0.00 0.00 0.00 175.10 176.25 1fbx n ASP 96 N 4.39 1.29 -4.21 3.32 5.75 -1.26 -4.54 116.55 121.29 1fbx n ASP 96 Ca 0.08 -2.59 -0.26 0.00 -0.01 0.00 0.00 54.79 52.00 1fbx n ASP 96 Cb 0.49 -0.32 -0.15 0.00 -1.03 0.00 0.00 41.12 40.10 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 -1.58 1.56 0.25 0.11 0.41 -1.26 -4.98 118.70 113.21 1fbx s GLU 97 Ca 0.18 -0.73 -0.29 0.00 -0.41 0.00 0.00 54.97 53.72 1fbx s GLU 97 Cb 0.15 -1.53 -0.15 0.00 -1.78 0.00 0.00 34.13 30.83 1fbx s GLU 97 CO 0.02 0.42 0.93 0.00 -0.49 0.00 0.00 175.26 176.13 1fbx n MET 98 N 2.50 1.03 -4.05 1.61 0.00 -1.26 -4.72 117.12 112.23 1fbx n MET 98 Ca -0.15 0.36 -0.36 0.00 0.00 0.00 0.00 57.70 57.55 1fbx n MET 98 Cb 0.53 -1.67 -0.08 0.00 0.00 0.00 0.00 33.22 32.00 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 -0.92 5.01 -0.10 3.17 1.01 0.68 -4.93 120.40 124.32 1fbx s VAL 99 Ca 0.62 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.64 1fbx s VAL 99 Cb -0.77 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1fbx s VAL 99 CO 0.58 0.58 -0.13 -0.89 0.00 0.00 0.00 175.10 175.23 1fbx s THR 100 N -0.65 1.34 -0.27 3.92 2.01 -1.26 -1.94 115.64 118.78 1fbx s THR 100 Ca 0.12 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 1fbx s THR 100 Cb -0.12 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 1fbx s THR 100 CO 0.02 0.41 0.07 -0.69 -0.69 0.00 0.00 174.62 173.74 1fbx s VAL 101 N 0.99 4.05 0.29 3.82 1.01 0.31 -5.00 120.40 125.87 1fbx s VAL 101 Ca -0.07 -0.49 0.12 0.00 0.00 0.00 0.00 61.98 61.54 1fbx s VAL 101 Cb -0.15 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1fbx s VAL 101 CO -0.01 0.20 -0.17 0.00 0.00 0.00 0.00 175.10 175.12 1fbx s ARG 102 N 1.54 1.73 -1.42 2.72 1.70 -1.26 -0.82 118.95 123.13 1fbx s ARG 102 Ca 0.04 -1.77 -0.10 0.00 -0.47 0.00 0.00 55.73 53.43 1fbx s ARG 102 Cb -0.16 -1.78 0.04 0.00 -0.57 0.00 0.00 34.95 32.48 1fbx s ARG 102 CO 0.02 0.30 1.02 -0.25 -1.08 0.00 0.00 175.30 175.32 1fbx n ASP 103 N -0.66 -4.71 -4.72 -2.89 8.00 -0.91 -4.93 116.55 105.73 1fbx n ASP 103 Ca -0.05 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.34 1fbx n ASP 103 Cb 0.60 -4.38 -0.03 0.00 -0.02 0.00 0.00 41.12 37.29 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 -3.36 3.37 0.20 0.53 1.01 0.59 -4.79 121.20 118.74 1fbx s ILE 104 Ca 0.51 1.00 -0.30 0.00 0.00 0.00 0.00 60.65 61.86 1fbx s ILE 104 Cb -0.24 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 1fbx s ILE 104 CO 0.79 0.09 1.39 -0.89 0.00 0.00 0.00 174.94 176.31 1fbx s THR 105 N 0.95 3.00 -0.15 2.92 2.01 -1.26 -1.03 115.64 122.08 1fbx s THR 105 Ca 0.63 0.80 -0.04 0.00 0.31 0.00 0.00 61.69 63.38 1fbx s THR 105 Cb -0.36 -3.51 0.06 0.00 0.01 0.00 0.00 72.50 68.70 1fbx s THR 105 CO 0.31 0.11 0.12 -0.22 -0.69 0.00 0.00 174.62 174.25 1fbx s LEU 106 N 0.09 0.17 -0.09 4.42 0.20 -1.01 -4.82 118.68 117.65 1fbx s LEU 106 Ca 0.60 -0.31 0.04 0.00 0.69 0.00 0.00 54.13 55.15 1fbx s LEU 106 Cb -0.39 -0.04 -0.01 0.00 -0.43 0.00 0.00 46.19 45.32 1fbx s LEU 106 CO 0.38 -0.32 -0.22 0.42 -0.29 0.00 0.00 176.35 176.32 1fbx s THR 107 N 2.20 2.26 0.00 3.68 -4.23 -1.26 -0.60 115.64 117.68 1fbx s THR 107 Ca 0.04 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1fbx s THR 107 Cb -0.15 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1fbx s THR 107 CO -0.08 0.56 0.00 -0.24 -0.54 0.00 0.00 174.62 174.32 1fbx n SER 108 N 3.24 0.00 -3.89 3.99 2.88 0.14 -4.57 113.62 115.40 1fbx n SER 108 Ca -0.18 -0.62 -0.14 0.00 -1.33 0.00 0.00 58.87 56.60 1fbx n SER 108 Cb 0.53 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.84 1fbx n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1fbx s THR 109 N -1.76 0.19 0.39 2.46 2.01 -1.26 0.53 115.64 118.20 1fbx s THR 109 Ca 0.00 -0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.70 1fbx s THR 109 Cb 0.00 -0.19 -0.10 0.00 0.01 0.00 0.00 72.50 72.22 1fbx s THR 109 CO 0.00 0.07 0.97 0.00 -0.69 0.00 0.00 174.62 174.97 1fbx n GLU 111 N -0.12 0.25 0.13 0.00 0.28 -0.39 0.19 120.64 120.99 1fbx n GLU 111 Ca 0.05 0.17 0.01 0.00 -0.16 0.00 0.00 57.16 57.23 1fbx n GLU 111 Cb 0.52 -1.76 0.07 0.00 1.43 0.00 0.00 31.44 31.70 1fbx n GLU 111 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1fbx h HIS 112 N 0.00 0.00 0.00 -1.84 3.86 -1.92 -3.39 115.15 111.86 1fbx h HIS 112 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1fbx h HIS 112 Cb 0.72 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.19 1fbx h HIS 112 CO 0.00 0.59 0.00 0.72 0.86 0.00 0.00 177.93 180.10 1fbx n HIS 113 N -3.34 0.00 -3.60 2.45 8.25 -1.24 -5.04 115.22 112.70 1fbx n HIS 113 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 1fbx n HIS 113 Cb 0.73 0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.91 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 -2.02 -4.34 4.41 3.01 0.13 -4.96 117.46 113.69 1fbx n PHE 114 Ca 0.00 0.86 -0.24 0.00 1.01 0.00 0.00 57.45 59.08 1fbx n PHE 114 Cb 0.37 -4.56 -0.12 0.00 -0.01 0.00 0.00 39.48 35.15 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 -3.56 1.89 0.17 -4.37 1.01 -1.25 -4.83 120.40 109.46 1fbx s VAL 115 Ca 0.04 -1.81 -0.34 0.00 0.00 0.00 0.00 61.98 59.87 1fbx s VAL 115 Cb -0.01 -1.81 -0.14 0.00 0.00 0.00 0.00 36.38 34.42 1fbx s VAL 115 CO 0.79 -0.18 1.44 0.41 0.00 0.00 0.00 175.10 177.55 1fbx n THR 116 N 0.56 0.37 -4.15 3.92 -1.04 -1.26 -0.59 114.28 112.09 1fbx n THR 116 Ca -0.15 -0.09 -0.34 0.00 -2.04 0.00 0.00 64.05 61.42 1fbx n THR 116 Cb 0.56 -1.32 -0.14 0.00 -1.82 0.00 0.00 70.33 67.61 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 0.44 3.13 -0.19 12.58 1.01 0.19 -1.95 121.20 136.41 1fbx s ILE 117 Ca 0.76 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1fbx s ILE 117 Cb -0.74 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.36 1fbx s ILE 117 CO 0.44 0.46 -0.18 -0.62 0.00 0.00 0.00 174.94 175.04 1fbx s ASP 118 N 1.16 3.28 0.00 3.58 2.15 -0.40 0.24 116.67 126.68 1fbx s ASP 118 Ca 0.02 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.34 1fbx s ASP 118 Cb -0.14 -1.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.97 1fbx s ASP 118 CO -0.02 -0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 1fbx n GLY 119 N 4.63 3.28 2.87 2.66 0.00 0.23 -0.43 105.19 118.43 1fbx n GLY 119 Ca -0.20 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.74 0.01 0.11 1.61 3.01 0.12 -2.41 119.74 121.43 1fbx s LYS 120 Ca 0.00 0.01 0.09 0.00 -1.01 0.00 0.00 55.97 55.07 1fbx s LYS 120 Cb 0.00 -0.00 -0.04 0.00 -1.01 0.00 0.00 37.83 36.78 1fbx s LYS 120 CO 0.00 -0.01 -0.21 0.00 0.51 0.00 0.00 175.35 175.65 1fbx s ALA 121 N 0.03 2.57 -0.16 5.17 0.00 -0.20 -0.86 121.76 128.31 1fbx s ALA 121 Ca -0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 50.59 1fbx s ALA 121 Cb -0.00 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.58 1fbx s ALA 121 CO -0.00 0.57 -0.03 0.99 0.00 0.00 0.00 175.76 177.29 1fbx s THR 122 N -1.07 0.95 0.03 0.00 2.01 -0.43 -0.30 115.64 116.84 1fbx s THR 122 Ca 0.16 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.65 1fbx s THR 122 Cb -0.10 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1fbx s THR 122 CO 0.08 0.08 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.33 1fbx s VAL 123 N 1.70 3.61 -0.11 3.82 1.01 -0.01 -1.60 120.40 128.81 1fbx s VAL 123 Ca 0.01 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1fbx s VAL 123 Cb -0.15 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.66 1fbx s VAL 123 CO -0.07 0.32 0.31 0.00 0.00 0.00 0.00 175.10 175.66 1fbx s ALA 124 N -1.06 -0.77 0.12 5.51 0.00 -0.53 -0.53 121.76 124.50 1fbx s ALA 124 Ca 0.19 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 52.88 1fbx s ALA 124 Cb -0.11 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 1fbx s ALA 124 CO 0.09 -0.16 0.24 1.52 0.00 0.00 0.00 175.76 177.46 1fbx s TYR 125 N 0.03 0.23 -0.42 0.00 1.13 -0.82 -0.21 117.35 117.29 1fbx s TYR 125 Ca -0.01 -0.63 -0.05 0.00 -1.41 0.00 0.00 57.07 54.97 1fbx s TYR 125 Cb -0.03 -0.04 0.11 0.00 -1.10 0.00 0.00 41.96 40.90 1fbx s TYR 125 CO 0.01 -0.62 0.23 0.42 -2.51 0.00 0.00 175.55 173.07 1fbx s ILE 126 N -3.90 3.57 0.29 -3.49 1.01 -0.74 -0.23 121.20 117.70 1fbx s ILE 126 Ca 0.10 -1.91 -0.28 0.00 0.00 0.00 0.00 60.65 58.56 1fbx s ILE 126 Cb 0.04 -3.38 -0.14 0.00 0.01 0.00 0.00 42.46 38.99 1fbx s ILE 126 CO -0.07 -0.67 0.97 -2.65 0.00 0.00 0.00 174.94 172.53 1fbx n PRO 127 N 4.70 1.25 0.00 2.79 -0.02 -1.26 -4.85 135.00 137.60 1fbx n PRO 127 Ca -0.05 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1fbx n PRO 127 Cb 0.41 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.72 0.00 0.10 -0.52 4.81 -1.26 -4.78 118.16 117.22 1fbx n LYS 128 Ca 0.10 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.31 1fbx n LYS 128 Cb 0.32 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.22 1fbx n LYS 128 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1fbx h ASP 129 N 0.00 0.67 -3.51 3.14 3.32 -1.90 -3.45 116.42 114.69 1fbx h ASP 129 Ca 0.00 -0.90 -0.66 0.00 0.02 0.00 0.00 57.03 55.49 1fbx h ASP 129 Cb 0.00 -0.22 -0.18 0.00 0.22 0.00 0.00 39.33 39.15 1fbx h ASP 129 CO 0.00 1.74 -0.79 -0.94 -1.72 0.00 0.00 179.24 177.53 1fbx s SER 130 N -7.36 3.91 -0.09 6.45 1.04 -1.26 0.38 113.70 116.77 1fbx s SER 130 Ca -0.13 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 1fbx s SER 130 Cb 0.05 -0.55 -0.03 0.00 0.10 0.00 0.00 66.02 65.59 1fbx s SER 130 CO 0.88 0.16 -0.04 -0.69 0.98 0.00 0.00 173.24 174.53 1fbx s VAL 131 N -1.32 3.93 0.24 5.02 1.01 -0.10 -4.73 120.40 124.44 1fbx s VAL 131 Ca 0.20 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1fbx s VAL 131 Cb -0.10 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1fbx s VAL 131 CO 0.11 0.58 0.37 -0.51 0.00 0.00 0.00 175.10 175.65 1fbx s ILE 132 N -0.61 5.25 0.16 2.22 2.07 -1.26 -2.08 121.20 126.95 1fbx s ILE 132 Ca 0.09 -0.87 -0.31 0.00 -1.41 0.00 0.00 60.65 58.15 1fbx s ILE 132 Cb -0.12 -3.84 -0.09 0.00 0.13 0.00 0.00 42.46 38.54 1fbx s ILE 132 CO 0.02 -0.31 1.49 -0.83 -1.91 0.00 0.00 174.94 173.40 1fbx s GLY 133 N -3.84 1.79 0.22 1.50 0.00 -0.78 -4.90 107.32 101.31 1fbx s GLY 133 Ca 0.35 1.28 -0.08 0.00 0.00 0.00 0.00 44.72 46.26 1fbx s GLY 133 CO 0.30 2.49 1.69 1.41 0.00 0.00 0.00 173.10 178.98 1fbx h LEU 134 N 6.59 -0.06 -2.11 0.66 3.38 -1.97 -0.47 115.31 121.34 1fbx h LEU 134 Ca -0.43 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1fbx h LEU 134 Cb 1.21 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 1fbx h LEU 134 CO 0.88 -0.03 -0.05 0.77 0.09 0.00 0.00 178.44 180.09 1fbx h SER 135 N 0.23 0.00 0.12 -0.43 4.64 -2.00 -2.34 113.55 113.77 1fbx h SER 135 Ca 0.35 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.60 1fbx h SER 135 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1fbx h SER 135 CO -0.47 0.05 -0.23 0.11 -0.87 0.00 0.00 176.83 175.42 1fbx h LYS 136 N 0.00 0.20 0.24 4.77 1.79 -1.45 0.15 116.57 122.27 1fbx h LYS 136 Ca -0.00 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1fbx h LYS 136 Cb 0.28 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1fbx h LYS 136 CO 0.01 0.42 -0.11 0.82 -1.08 0.00 0.00 179.45 179.51 1fbx h ILE 137 N 0.18 0.81 -0.16 1.86 2.04 -1.46 0.80 117.51 121.58 1fbx h ILE 137 Ca 0.03 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1fbx h ILE 137 Cb 0.51 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 1fbx h ILE 137 CO 0.04 0.07 -0.36 0.78 0.00 0.00 0.00 178.15 178.67 1fbx h ASN 138 N -0.48 -1.14 -0.79 1.72 2.35 -1.44 -0.17 115.58 115.63 1fbx h ASN 138 Ca -0.03 0.16 0.07 0.00 -0.55 0.00 0.00 56.30 55.95 1fbx h ASN 138 Cb 0.36 0.48 -0.05 0.00 0.05 0.00 0.00 38.32 39.16 1fbx h ASN 138 CO 0.05 -0.39 0.52 0.03 -1.65 0.00 0.00 177.43 176.00 1fbx h ARG 139 N -0.42 0.82 -0.30 0.81 3.08 -0.41 -0.56 114.38 117.40 1fbx h ARG 139 Ca 0.10 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1fbx h ARG 139 Cb 0.58 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1fbx h ARG 139 CO -0.39 0.55 -0.13 0.82 -1.07 0.00 0.00 179.97 179.74 1fbx h ILE 140 N 0.85 1.29 -0.34 2.04 2.04 0.16 -2.41 117.51 121.14 1fbx h ILE 140 Ca 0.34 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 65.01 1fbx h ILE 140 Cb 0.25 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1fbx h ILE 140 CO -0.12 0.39 0.16 0.58 0.00 0.00 0.00 178.15 179.16 1fbx h VAL 141 N 0.38 0.97 0.00 1.67 2.07 0.08 -2.21 116.25 119.21 1fbx h VAL 141 Ca 0.07 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1fbx h VAL 141 Cb 0.65 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1fbx h VAL 141 CO 0.04 0.06 -0.17 1.56 0.02 0.00 0.00 177.57 179.08 1fbx h GLN 142 N 0.33 0.00 0.11 1.57 1.08 -1.11 -2.16 115.11 114.94 1fbx h GLN 142 Ca 0.14 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1fbx h GLN 142 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1fbx h GLN 142 CO -0.11 0.17 -0.05 0.35 -0.95 0.00 0.00 178.83 178.24 1fbx h PHE 143 N 0.00 -0.14 0.00 2.96 3.57 -0.87 -1.81 116.94 120.65 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 0.50 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1fbx h PHE 143 CO 0.00 0.04 0.00 0.74 -2.23 0.00 0.00 178.31 176.86 1fbx h PHE 144 N -0.29 0.00 -0.10 0.41 0.04 -1.37 -2.95 116.94 112.68 1fbx h PHE 144 Ca -0.02 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.58 1fbx h PHE 144 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1fbx h PHE 144 CO -0.03 0.00 -0.68 0.00 -0.60 0.00 0.00 178.31 177.01 1fbx h ALA 145 N 2.09 0.66 -0.01 2.45 0.00 -0.92 -3.32 119.26 120.21 1fbx h ALA 145 Ca 0.00 -0.58 -0.70 0.00 0.00 0.00 0.00 54.91 53.63 1fbx h ALA 145 Cb 0.64 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1fbx h ALA 145 CO 0.00 0.74 3.28 1.04 0.00 0.00 0.00 179.25 184.31 1fbx n GLN 146 N -3.86 3.04 -3.53 0.00 1.13 -0.72 -4.28 117.38 109.15 1fbx n GLN 146 Ca -0.04 -2.53 -0.16 0.00 -1.94 0.00 0.00 57.00 52.34 1fbx n GLN 146 Cb 0.67 -3.19 -0.06 0.00 0.11 0.00 0.00 30.24 27.78 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 2.96 0.95 -0.01 -1.09 0.52 -1.18 -1.40 118.95 119.69 1fbx s ARG 147 Ca 0.52 0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 55.62 1fbx s ARG 147 Cb 0.15 0.45 -0.06 0.00 0.52 0.00 0.00 34.95 36.00 1fbx s ARG 147 CO -0.08 -0.30 1.63 -2.14 0.02 0.00 0.00 175.30 174.42 1fbx s PRO 148 N -1.30 4.20 0.46 3.54 0.02 -1.26 -4.21 135.00 136.45 1fbx s PRO 148 Ca -0.08 2.21 0.04 0.00 0.02 0.00 0.00 61.00 63.18 1fbx s PRO 148 Cb -0.00 -3.83 -0.04 0.00 0.02 0.00 0.00 34.50 30.64 1fbx s PRO 148 CO 0.07 -0.78 0.01 -0.65 -0.33 0.00 0.00 177.00 175.32 1fbx s GLN 149 N 3.47 2.07 -0.08 5.54 -1.52 0.18 -4.67 119.66 124.64 1fbx s GLN 149 Ca 0.73 -2.26 0.00 0.00 -1.95 0.00 0.00 55.36 51.88 1fbx s GLN 149 Cb -0.35 -1.49 0.02 0.00 -0.22 0.00 0.00 33.01 30.97 1fbx s GLN 149 CO 0.30 -0.24 -0.07 0.08 -0.25 0.00 0.00 175.29 175.11 1fbx s VAL 150 N -2.85 0.84 0.39 1.09 1.01 -1.26 -1.26 120.40 118.36 1fbx s VAL 150 Ca 0.19 -0.23 0.16 0.00 0.00 0.00 0.00 61.98 62.10 1fbx s VAL 150 Cb 0.05 -0.85 0.37 0.00 0.00 0.00 0.00 36.38 35.96 1fbx s VAL 150 CO 0.10 0.31 1.81 -0.61 0.00 0.00 0.00 175.10 176.71 1fbx h GLN 151 N 7.65 0.44 -0.46 2.72 4.15 -1.99 -0.67 115.11 126.95 1fbx h GLN 151 Ca -0.30 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.09 1fbx h GLN 151 Cb 1.15 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 1fbx h GLN 151 CO 0.42 0.29 0.29 0.93 -1.93 0.00 0.00 178.83 178.83 1fbx h GLU 152 N 0.46 0.62 -0.27 1.69 3.07 -2.00 -2.07 114.58 116.08 1fbx h GLU 152 Ca 0.54 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 59.26 1fbx h GLU 152 Cb 1.28 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 1fbx h GLU 152 CO -0.25 0.44 -0.18 -0.09 -1.40 0.00 0.00 179.01 177.53 1fbx h ARG 153 N 0.62 0.61 -0.84 2.33 2.43 -1.61 -3.03 114.38 114.89 1fbx h ARG 153 Ca 0.17 -0.29 0.10 0.00 -0.81 0.00 0.00 59.98 59.15 1fbx h ARG 153 Cb -0.03 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.44 1fbx h ARG 153 CO -0.03 0.87 0.48 1.25 -1.51 0.00 0.00 179.97 181.03 1fbx h LEU 154 N 0.34 0.68 -0.46 3.80 5.85 -1.03 -0.59 115.31 123.90 1fbx h LEU 154 Ca 0.05 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1fbx h LEU 154 Cb 0.72 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1fbx h LEU 154 CO 0.05 0.37 -0.05 0.74 -0.34 0.00 0.00 178.44 179.22 1fbx h THR 155 N 0.79 1.27 -0.16 1.05 2.02 -1.36 -2.49 112.91 114.03 1fbx h THR 155 Ca 0.41 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1fbx h THR 155 Cb 0.41 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1fbx h THR 155 CO -0.26 0.39 0.06 1.56 0.37 0.00 0.00 175.52 177.64 1fbx h GLN 156 N 0.70 0.24 -0.66 6.66 1.08 -1.26 -2.71 115.11 119.16 1fbx h GLN 156 Ca 0.13 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.37 1fbx h GLN 156 Cb 0.57 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.90 1fbx h GLN 156 CO 0.03 0.33 0.31 1.96 -0.95 0.00 0.00 178.83 180.51 1fbx h GLN 157 N 0.10 0.52 -0.39 1.46 4.20 -1.05 -0.35 115.11 119.60 1fbx h GLN 157 Ca 0.05 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 1fbx h GLN 157 Cb 0.18 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1fbx h GLN 157 CO -0.00 0.35 0.04 0.82 -0.67 0.00 0.00 178.83 179.36 1fbx h ILE 158 N 0.54 1.20 0.50 2.54 2.04 -1.32 -1.25 117.51 121.76 1fbx h ILE 158 Ca 0.32 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1fbx h ILE 158 Cb 0.34 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1fbx h ILE 158 CO -0.26 0.27 -0.24 0.25 0.00 0.00 0.00 178.15 178.16 1fbx h LEU 159 N 0.57 -0.57 -0.38 1.44 5.85 -0.80 -1.88 115.31 119.55 1fbx h LEU 159 Ca 0.13 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1fbx h LEU 159 Cb 0.30 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1fbx h LEU 159 CO 0.01 -0.28 0.02 0.40 -0.34 0.00 0.00 178.44 178.25 1fbx h ILE 160 N -0.87 0.74 -0.17 4.05 1.08 -1.04 0.30 117.51 121.61 1fbx h ILE 160 Ca -0.07 -0.04 0.04 0.00 -0.39 0.00 0.00 64.86 64.40 1fbx h ILE 160 Cb 0.59 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 1fbx h ILE 160 CO 0.11 0.02 -0.12 0.00 -0.69 0.00 0.00 178.15 177.48 1fbx h ALA 161 N 1.32 0.01 -0.48 1.87 0.00 -1.22 0.23 119.26 120.99 1fbx h ALA 161 Ca 0.18 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1fbx h ALA 161 Cb 0.25 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1fbx h ALA 161 CO -0.29 -0.56 -0.07 -0.07 0.00 0.00 0.00 179.25 178.27 1fbx h LEU 162 N -0.13 0.90 -0.56 0.00 3.38 -0.85 -0.90 115.31 117.15 1fbx h LEU 162 Ca 0.10 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1fbx h LEU 162 Cb 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1fbx h LEU 162 CO -0.25 1.02 0.33 1.56 0.09 0.00 0.00 178.44 181.20 1fbx h GLN 163 N 0.75 0.63 0.20 1.13 4.20 -0.05 -1.58 115.11 120.39 1fbx h GLN 163 Ca 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1fbx h GLN 163 Cb 0.60 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1fbx h GLN 163 CO 0.04 0.42 -0.09 1.15 -0.67 0.00 0.00 178.83 179.67 1fbx h THR 164 N 0.65 0.85 -0.12 -0.54 2.02 -0.27 -2.39 112.91 113.11 1fbx h THR 164 Ca 0.23 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 1fbx h THR 164 Cb 0.05 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1fbx h THR 164 CO -0.11 0.05 -0.19 -0.07 0.37 0.00 0.00 175.52 175.57 1fbx h LEU 165 N -0.37 0.20 -1.56 2.58 3.38 -0.99 -3.04 115.31 115.52 1fbx h LEU 165 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1fbx h LEU 165 Cb 0.29 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1fbx h LEU 165 CO 0.04 0.41 0.00 0.18 0.09 0.00 0.00 178.44 179.17 1fbx n LEU 166 N -4.22 2.38 -3.68 1.67 4.77 -0.61 -4.98 117.00 112.33 1fbx n LEU 166 Ca -0.01 -0.89 -0.23 0.00 -0.03 0.00 0.00 56.01 54.85 1fbx n LEU 166 Cb 0.31 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 1fbx n LEU 166 CO 0.38 0.44 0.08 0.61 -1.33 0.00 0.00 177.39 177.58 1fbx n GLY 167 N 1.28 -0.41 3.42 -0.72 0.00 -0.91 -4.71 105.19 103.14 1fbx n GLY 167 Ca 0.17 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.43 0.05 -1.25 2.61 2.01 -1.12 -4.90 115.64 109.60 1fbx s THR 168 Ca 0.31 -0.76 0.13 0.00 0.31 0.00 0.00 61.69 61.67 1fbx s THR 168 Cb -0.15 -1.45 0.01 0.00 0.01 0.00 0.00 72.50 70.92 1fbx s THR 168 CO 0.78 -0.21 0.76 0.59 -0.69 0.00 0.00 174.62 175.86 1fbx n ASN 169 N -0.28 1.49 -3.73 3.53 3.02 -1.26 -4.45 115.26 113.57 1fbx n ASN 169 Ca -0.12 -1.25 -0.42 0.00 -0.03 0.00 0.00 54.58 52.77 1fbx n ASN 169 Cb 0.63 0.42 -0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1fbx n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1fbx n ASN 170 N -0.10 4.17 -4.16 6.41 3.02 -1.26 -2.08 115.26 121.25 1fbx n ASN 170 Ca 0.06 -2.86 -0.15 0.00 -0.03 0.00 0.00 54.58 51.59 1fbx n ASN 170 Cb 0.28 -1.64 -0.11 0.00 -0.61 0.00 0.00 39.78 37.71 1fbx n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fbx s VAL 171 N 2.83 0.94 -0.04 2.41 1.01 -1.26 -1.79 120.40 124.50 1fbx s VAL 171 Ca 0.47 -1.50 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 1fbx s VAL 171 Cb 0.14 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.32 1fbx s VAL 171 CO -0.08 -0.46 0.14 0.00 0.00 0.00 0.00 175.10 174.70 1fbx s ALA 172 N -2.05 -0.33 -0.02 5.51 0.00 0.70 -0.53 121.76 125.04 1fbx s ALA 172 Ca 0.02 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1fbx s ALA 172 Cb -0.05 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1fbx s ALA 172 CO 0.01 -0.09 -0.03 0.08 0.00 0.00 0.00 175.76 175.72 1fbx s VAL 173 N -0.15 0.37 -0.02 0.00 1.01 -0.06 -1.45 120.40 120.10 1fbx s VAL 173 Ca -0.02 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1fbx s VAL 173 Cb -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1fbx s VAL 173 CO 0.00 0.15 -0.07 -0.55 0.00 0.00 0.00 175.10 174.63 1fbx s SER 174 N 0.47 1.01 -0.04 3.32 0.15 -0.63 -0.41 113.70 117.57 1fbx s SER 174 Ca -0.05 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.49 1fbx s SER 174 Cb -0.09 -0.26 -0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1fbx s SER 174 CO -0.00 0.05 -0.16 -0.63 1.20 0.00 0.00 173.24 173.70 1fbx s ILE 175 N 0.20 1.33 -0.20 6.45 1.01 0.00 -1.31 121.20 128.68 1fbx s ILE 175 Ca -0.03 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1fbx s ILE 175 Cb -0.08 -1.14 0.05 0.00 0.01 0.00 0.00 42.46 41.30 1fbx s ILE 175 CO 0.00 0.38 -0.08 -0.62 0.00 0.00 0.00 174.94 174.62 1fbx s ASP 176 N -0.02 3.40 0.11 3.58 2.15 -0.04 -1.24 116.67 124.61 1fbx s ASP 176 Ca -0.02 -0.91 -0.01 0.00 0.43 0.00 0.00 52.55 52.04 1fbx s ASP 176 Cb -0.10 -1.16 -0.04 0.00 -0.30 0.00 0.00 42.92 41.32 1fbx s ASP 176 CO 0.01 -0.17 0.04 0.00 -0.17 0.00 0.00 175.17 174.88 1fbx s ALA 177 N 1.44 0.79 -0.16 3.66 0.00 -0.29 0.11 121.76 127.32 1fbx s ALA 177 Ca -0.02 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.53 1fbx s ALA 177 Cb -0.17 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1fbx s ALA 177 CO -0.08 -0.46 -0.16 0.08 0.00 0.00 0.00 175.76 175.14 1fbx s VAL 178 N -4.02 2.54 -0.28 0.00 1.01 0.43 -1.02 120.40 119.06 1fbx s VAL 178 Ca 0.20 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1fbx s VAL 178 Cb 0.08 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1fbx s VAL 178 CO -0.01 0.52 0.18 -1.00 0.00 0.00 0.00 175.10 174.79 1fbx s HIS 179 N 0.88 3.20 0.28 5.22 3.76 -1.26 -1.27 115.29 126.09 1fbx s HIS 179 Ca -0.04 -0.03 0.35 0.00 -0.15 0.00 0.00 55.06 55.19 1fbx s HIS 179 Cb -0.15 -2.37 1.62 0.00 1.11 0.00 0.00 32.58 32.78 1fbx s HIS 179 CO -0.01 -0.23 2.08 1.88 -0.85 0.00 0.00 174.74 177.61 1fbx h TYR 180 N 8.36 0.00 0.00 1.40 -1.99 -1.70 -0.24 116.97 122.80 1fbx h TYR 180 Ca -0.35 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.38 1fbx h TYR 180 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.91 1fbx h TYR 180 CO 0.73 0.03 0.00 0.00 -0.00 0.00 0.00 178.16 178.92 1fbx n VAL 182 N -1.23 1.08 0.01 0.00 0.31 -0.22 -4.41 118.33 113.86 1fbx n VAL 182 Ca 0.11 -0.47 -0.19 0.00 -0.01 0.00 0.00 64.34 63.78 1fbx n VAL 182 Cb 0.15 -1.03 -0.14 0.00 -0.91 0.00 0.00 33.84 31.92 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 0.20 -0.02 5.55 3.64 -0.63 -0.74 116.57 124.58 1fbx h LYS 183 Ca -0.42 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.62 1fbx h LYS 183 Cb 1.73 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.68 1fbx h LYS 183 CO -0.04 1.16 -0.06 0.00 -2.27 0.00 0.00 179.45 178.24 1fbx n ALA 184 N -2.73 2.68 -3.65 5.00 0.00 0.38 -4.12 120.51 118.07 1fbx n ALA 184 Ca -0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 53.44 52.81 1fbx n ALA 184 Cb 0.74 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.10 0.73 7.50 0.00 3.00 -1.23 -4.98 118.95 121.86 1fbx s ARG 185 Ca 0.34 -0.38 0.00 0.00 -1.00 0.00 0.00 55.73 54.69 1fbx s ARG 185 Cb 0.21 0.26 0.00 0.00 0.00 0.00 0.00 34.95 35.42 1fbx s ARG 185 CO 0.37 -0.33 0.00 0.41 0.00 0.00 0.00 175.30 175.75 1fbx n GLY 186 N -0.41 2.01 0.23 8.12 0.00 -1.26 -2.74 105.19 111.14 1fbx n GLY 186 Ca -0.07 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 0.52 -5.79 -0.61 6.09 -1.85 -3.47 117.51 112.40 1fbx h ILE 187 Ca 0.00 -1.03 -0.35 0.00 -1.37 0.00 0.00 64.86 62.11 1fbx h ILE 187 Cb 0.00 1.71 0.13 0.00 0.47 0.00 0.00 36.82 39.13 1fbx h ILE 187 CO 0.00 0.20 -0.81 0.54 -3.07 0.00 0.00 178.15 175.01 1fbx n ARG 188 N -3.39 -5.35 -2.94 2.19 1.74 -0.64 -4.94 116.66 103.33 1fbx n ARG 188 Ca -0.00 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.43 1fbx n ARG 188 Cb 0.40 -5.58 -0.05 0.00 -1.02 0.00 0.00 32.46 26.22 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 -4.21 6.74 0.00 0.55 -1.08 -0.38 -4.91 116.67 113.39 1fbx s ASP 189 Ca 0.07 0.89 0.20 0.00 -0.52 0.00 0.00 52.55 53.19 1fbx s ASP 189 Cb -0.01 -2.41 0.67 0.00 -1.46 0.00 0.00 42.92 39.71 1fbx s ASP 189 CO 0.76 -0.51 1.50 0.00 0.52 0.00 0.00 175.17 177.44 1fbx n ALA 190 N 6.00 2.50 -0.00 3.66 0.00 -1.26 -3.91 120.51 127.50 1fbx n ALA 190 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1fbx n ALA 190 Cb 0.48 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1fbx n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1fbx n THR 191 N 0.41 0.00 -2.86 0.00 -2.24 -1.26 -5.08 114.28 103.26 1fbx n THR 191 Ca 0.16 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.35 1fbx n THR 191 Cb 0.34 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.50 6.96 0.09 3.42 1.04 -1.26 -5.06 113.70 118.39 1fbx s SER 192 Ca 0.00 1.65 0.02 0.00 0.48 0.00 0.00 55.95 58.10 1fbx s SER 192 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1fbx s SER 192 CO 0.00 -0.31 -0.07 0.00 0.98 0.00 0.00 173.24 173.84 1fbx s ALA 193 N -2.10 0.96 -0.04 5.32 0.00 -1.26 -4.75 121.76 119.89 1fbx s ALA 193 Ca 0.60 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 51.32 1fbx s ALA 193 Cb -0.10 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1fbx s ALA 193 CO 0.15 -0.21 -0.22 0.99 0.00 0.00 0.00 175.76 176.47 1fbx s THR 194 N -3.39 1.80 -0.08 0.00 2.01 -0.19 -4.95 115.64 110.83 1fbx s THR 194 Ca 0.10 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.21 1fbx s THR 194 Cb 0.04 -1.52 -0.00 0.00 0.01 0.00 0.00 72.50 71.02 1fbx s THR 194 CO -0.04 0.51 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.26 1fbx s THR 195 N -0.17 2.09 0.11 -0.82 2.01 -1.26 -1.14 115.64 116.47 1fbx s THR 195 Ca -0.01 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 61.02 1fbx s THR 195 Cb -0.12 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1fbx s THR 195 CO 0.02 0.56 -0.15 0.42 -0.69 0.00 0.00 174.62 174.78 1fbx s THR 196 N 0.14 1.39 -0.04 -0.82 -4.23 -0.37 -4.98 115.64 106.72 1fbx s THR 196 Ca -0.13 -1.62 -0.10 0.00 -1.18 0.00 0.00 61.69 58.67 1fbx s THR 196 Cb -0.16 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.23 1fbx s THR 196 CO 0.07 -0.31 0.22 0.42 -0.54 0.00 0.00 174.62 174.48 1fbx s THR 197 N -1.80 0.04 -0.14 3.99 -4.23 -1.26 -0.82 115.64 111.43 1fbx s THR 197 Ca 0.07 -0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 1fbx s THR 197 Cb -0.07 -0.44 0.04 0.00 1.34 0.00 0.00 72.50 73.37 1fbx s THR 197 CO 0.03 -0.19 -0.03 -0.44 -0.54 0.00 0.00 174.62 173.45 1fbx s SER 198 N -0.74 2.42 -0.17 3.99 0.01 0.45 -4.99 113.70 114.66 1fbx s SER 198 Ca -0.08 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 56.69 1fbx s SER 198 Cb -0.05 -0.75 -0.01 0.00 0.21 0.00 0.00 66.02 65.43 1fbx s SER 198 CO 0.02 -0.19 -0.11 -0.76 0.41 0.00 0.00 173.24 172.61 1fbx s LEU 199 N 1.75 2.68 0.20 2.44 1.43 -1.26 -0.88 118.68 125.04 1fbx s LEU 199 Ca 0.02 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1fbx s LEU 199 Cb -0.14 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1fbx s LEU 199 CO -0.07 0.07 0.12 -0.83 0.23 0.00 0.00 176.35 175.87 1fbx s GLY 200 N 0.90 1.63 0.00 -3.19 0.00 0.32 -4.34 107.32 102.63 1fbx s GLY 200 Ca -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1fbx s GLY 200 CO -0.00 -1.36 0.00 0.61 0.00 0.00 0.00 173.10 172.34 1fbx n GLY 201 N -0.58 2.80 0.36 0.20 0.00 -0.88 -1.47 105.19 105.61 1fbx n GLY 201 Ca -0.08 0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.12 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 0.66 -2.74 0.99 3.38 -1.95 0.74 115.31 116.39 1fbx h LEU 202 Ca 0.00 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1fbx h LEU 202 Cb 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1fbx h LEU 202 CO 0.00 0.13 -0.01 -0.26 0.09 0.00 0.00 178.44 178.39 1fbx h PHE 203 N 0.58 0.00 0.00 1.13 0.04 -1.55 0.73 116.94 117.87 1fbx h PHE 203 Ca 0.63 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.99 1fbx h PHE 203 Cb 1.21 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.30 1fbx h PHE 203 CO -0.01 0.01 -2.45 1.17 -0.60 0.00 0.00 178.31 176.43 1fbx n LYS 204 N -3.30 0.59 0.10 1.51 4.81 0.23 -4.06 118.16 118.04 1fbx n LYS 204 Ca -0.03 0.20 -0.24 0.00 -0.87 0.00 0.00 58.31 57.37 1fbx n LYS 204 Cb 0.09 -1.47 -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 -0.48 0.69 -3.50 3.14 4.64 -0.55 -3.45 113.55 114.04 1fbx h SER 205 Ca -0.62 -0.93 -0.59 0.00 -0.47 0.00 0.00 61.79 59.18 1fbx h SER 205 Cb 1.72 -0.23 -0.09 0.00 -0.31 0.00 0.00 62.40 63.50 1fbx h SER 205 CO -0.25 1.77 0.61 -0.55 -0.87 0.00 0.00 176.83 177.54 1fbx s SER 206 N -7.39 6.67 0.21 4.97 0.15 0.24 -4.92 113.70 113.63 1fbx s SER 206 Ca -0.14 0.56 -0.10 0.00 0.70 0.00 0.00 55.95 56.97 1fbx s SER 206 Cb 0.05 -2.47 0.28 0.00 -1.71 0.00 0.00 66.02 62.18 1fbx s SER 206 CO 0.88 -0.88 1.70 -0.61 1.20 0.00 0.00 173.24 175.53 1fbx h GLN 207 N 8.52 0.22 0.01 5.44 5.75 -1.87 -0.02 115.11 133.16 1fbx h GLN 207 Ca -0.23 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.28 1fbx h GLN 207 Cb 1.08 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.54 1fbx h GLN 207 CO 0.99 0.15 -0.21 -0.97 -2.65 0.00 0.00 178.83 176.13 1fbx h ASN 208 N 0.23 -0.62 -0.01 -0.69 -1.24 -1.93 -1.90 115.58 109.43 1fbx h ASN 208 Ca 0.31 0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.40 1fbx h ASN 208 Cb 0.47 0.25 -0.00 0.00 0.73 0.00 0.00 38.32 39.77 1fbx h ASN 208 CO -0.42 -0.28 0.00 0.74 -1.29 0.00 0.00 177.43 176.18 1fbx h THR 209 N -0.34 1.24 -0.57 -3.57 2.02 -1.69 -2.49 112.91 107.50 1fbx h THR 209 Ca 0.06 -0.70 0.11 0.00 0.77 0.00 0.00 66.41 66.65 1fbx h THR 209 Cb 0.41 1.69 -0.11 0.00 -1.74 0.00 0.00 68.15 68.41 1fbx h THR 209 CO -0.18 0.18 -0.21 -0.09 0.37 0.00 0.00 175.52 175.59 1fbx h ARG 210 N -0.28 -0.07 -0.03 6.66 2.43 -0.95 -1.13 114.38 121.01 1fbx h ARG 210 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1fbx h ARG 210 Cb 0.30 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1fbx h ARG 210 CO 0.00 -0.04 -0.59 0.45 -1.51 0.00 0.00 179.97 178.27 1fbx h HIS 211 N -0.07 0.14 -0.69 2.20 3.86 -1.33 -2.02 115.15 117.25 1fbx h HIS 211 Ca 0.27 -0.05 0.04 0.00 -1.16 0.00 0.00 60.37 59.46 1fbx h HIS 211 Cb 0.48 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.89 1fbx h HIS 211 CO -0.53 0.68 0.45 0.93 0.86 0.00 0.00 177.93 180.32 1fbx h GLU 212 N 0.08 0.77 -0.00 2.45 5.08 -0.75 0.13 114.58 122.35 1fbx h GLU 212 Ca -0.01 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1fbx h GLU 212 Cb 1.07 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1fbx h GLU 212 CO 0.08 0.51 -0.26 0.35 -1.00 0.00 0.00 179.01 178.69 1fbx h PHE 213 N 0.80 0.27 -0.34 4.33 3.57 -1.13 -3.04 116.94 121.40 1fbx h PHE 213 Ca 0.28 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1fbx h PHE 213 Cb 0.11 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1fbx h PHE 213 CO -0.00 0.95 0.06 -0.07 -2.23 0.00 0.00 178.31 177.01 1fbx h LEU 214 N -0.48 0.46 -1.08 0.59 3.38 -1.11 -2.06 115.31 115.01 1fbx h LEU 214 Ca -0.03 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1fbx h LEU 214 Cb 1.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1fbx h LEU 214 CO 0.05 0.49 -0.10 -0.09 0.09 0.00 0.00 178.44 178.88 1fbx h ARG 215 N 0.49 0.54 -0.53 1.13 2.43 -0.81 -2.44 114.38 115.20 1fbx h ARG 215 Ca 0.11 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1fbx h ARG 215 Cb 0.23 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1fbx h ARG 215 CO 0.00 0.64 0.00 0.00 -1.51 0.00 0.00 179.97 179.10 1fbx n ALA 216 N -2.48 2.72 -2.82 2.80 0.00 -0.79 -4.91 120.51 115.03 1fbx n ALA 216 Ca 0.01 -0.67 -0.23 0.00 0.00 0.00 0.00 53.44 52.54 1fbx n ALA 216 Cb 0.31 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.65 4.47 -0.06 0.00 1.01 -0.92 -4.73 120.40 118.52 1fbx s VAL 217 Ca 0.22 -1.28 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 1fbx s VAL 217 Cb 0.14 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 1fbx s VAL 217 CO 0.11 -0.26 0.05 -1.14 0.00 0.00 0.00 175.10 173.87 1fbx n ARG 218 N -0.88 -0.13 -3.09 2.72 3.00 -1.26 -5.00 116.66 112.03 1fbx n ARG 218 Ca -0.08 0.06 -0.44 0.00 -0.00 0.00 0.00 57.85 57.39 1fbx n ARG 218 Cb 0.57 -1.75 0.00 0.00 0.00 0.00 0.00 32.46 31.28 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 -1.59 4.46 -1.61 -0.14 8.25 -1.26 -4.98 115.22 118.35 1fbx n HIS 219 Ca -0.00 -3.44 -0.25 0.00 -0.26 0.00 0.00 57.72 53.76 1fbx n HIS 219 Cb 0.51 -1.77 -0.05 0.00 1.12 0.00 0.00 29.99 29.79 1fbx n HIS 219 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1fbx s HIS 220 N -0.68 1.16 0.00 4.41 2.46 -1.26 -4.86 115.29 116.52 1fbx s HIS 220 Ca 0.35 1.68 0.00 0.00 0.47 0.00 0.00 55.06 57.56 1fbx s HIS 220 Cb -0.04 -3.56 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 1fbx s HIS 220 CO -0.02 -2.05 0.00 0.09 -2.47 0.00 0.00 174.74 170.30