#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpx s MET 1 N 0.00 4.37 0.09 -0.41 -2.45 -1.26 -4.97 119.30 114.67 1vpx s MET 1 Ca 0.00 2.09 -0.09 0.00 -1.25 0.00 0.00 55.69 56.44 1vpx s MET 1 Cb 0.00 -3.19 -0.06 0.00 1.25 0.00 0.00 34.83 32.84 1vpx s MET 1 CO 0.00 -0.28 0.40 0.15 1.05 0.00 0.00 175.02 176.34 1vpx s LYS 2 N -0.08 3.74 -0.15 4.11 -0.14 -0.63 -5.02 119.74 121.57 1vpx s LYS 2 Ca 0.57 0.14 0.02 0.00 -1.36 0.00 0.00 55.97 55.34 1vpx s LYS 2 Cb -0.37 -2.97 0.01 0.00 -1.68 0.00 0.00 37.83 32.82 1vpx s LYS 2 CO 0.38 0.54 -0.20 0.42 -0.76 0.00 0.00 175.35 175.73 1vpx s ILE 3 N -1.45 2.19 0.13 2.17 1.01 -1.26 -1.44 121.20 122.55 1vpx s ILE 3 Ca 0.34 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1vpx s ILE 3 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1vpx s ILE 3 CO 0.19 0.54 0.15 -0.36 0.00 0.00 0.00 174.94 175.46 1vpx s PHE 4 N 0.94 3.26 -0.15 3.97 0.08 -0.26 -0.28 117.98 125.54 1vpx s PHE 4 Ca -0.04 0.06 -0.08 0.00 0.12 0.00 0.00 56.93 56.99 1vpx s PHE 4 Cb -0.15 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 1vpx s PHE 4 CO -0.04 0.53 0.14 -0.51 -0.10 0.00 0.00 175.22 175.23 1vpx s LEU 5 N -2.85 4.33 -0.88 -0.37 1.43 -0.90 -1.65 118.68 117.79 1vpx s LEU 5 Ca 0.31 0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 53.58 1vpx s LEU 5 Cb -0.11 -2.08 0.07 0.00 0.03 0.00 0.00 46.19 44.10 1vpx s LEU 5 CO 0.24 0.33 1.25 -1.81 0.23 0.00 0.00 176.35 176.60 1vpx s ASP 6 N -0.56 6.41 -0.03 2.29 1.01 -0.25 -0.34 116.67 125.20 1vpx s ASP 6 Ca 0.13 -1.32 -0.30 0.00 0.71 0.00 0.00 52.55 51.77 1vpx s ASP 6 Cb -0.12 -2.50 0.11 0.00 1.01 0.00 0.00 42.92 41.42 1vpx s ASP 6 CO 0.02 -1.45 0.98 0.28 0.21 0.00 0.00 175.17 175.21 1vpx s THR 7 N 4.41 0.00 0.00 -1.27 -1.32 -1.06 -4.48 115.64 111.92 1vpx s THR 7 Ca 0.36 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 1vpx s THR 7 Cb -0.06 -1.14 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 1vpx s THR 7 CO -0.01 0.00 0.71 0.00 -2.21 0.00 0.00 174.62 173.11 1vpx n ALA 8 N -0.24 1.83 -2.67 11.08 0.00 -1.26 -4.51 120.51 124.74 1vpx n ALA 8 Ca -0.06 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 1vpx n ALA 8 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1vpx n ALA 8 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1vpx s ASN 9 N -0.51 7.04 0.22 0.00 3.84 -1.26 -4.92 114.94 119.35 1vpx s ASN 9 Ca 0.00 1.29 0.09 0.00 0.21 0.00 0.00 52.86 54.45 1vpx s ASN 9 Cb 0.00 -2.50 0.15 0.00 -0.55 0.00 0.00 41.25 38.35 1vpx s ASN 9 CO 0.00 -0.50 1.49 -0.07 -2.79 0.00 0.00 177.10 175.23 1vpx h LEU 10 N 8.66 0.02 -0.34 3.21 3.38 -1.99 -2.56 115.31 125.69 1vpx h LEU 10 Ca -0.26 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1vpx h LEU 10 Cb 1.11 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1vpx h LEU 10 CO 0.88 0.77 -0.26 -0.33 0.09 0.00 0.00 178.44 179.59 1vpx h GLU 11 N 0.01 0.78 -0.58 1.13 3.07 -1.99 0.38 114.58 117.39 1vpx h GLU 11 Ca -0.01 -0.38 0.02 0.00 -0.50 0.00 0.00 59.36 58.49 1vpx h GLU 11 Cb 1.34 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.21 1vpx h GLU 11 CO 0.10 1.01 0.36 0.93 -1.40 0.00 0.00 179.01 180.00 1vpx h GLU 12 N 0.56 0.69 -0.53 2.33 5.08 -1.97 -0.55 114.58 120.19 1vpx h GLU 12 Ca 0.07 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1vpx h GLU 12 Cb 0.82 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1vpx h GLU 12 CO 0.07 0.46 -0.14 0.82 -1.00 0.00 0.00 179.01 179.21 1vpx h ILE 13 N 0.71 1.27 -0.22 3.13 2.04 -1.35 -1.06 117.51 122.02 1vpx h ILE 13 Ca 0.23 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.79 1vpx h ILE 13 Cb 0.00 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1vpx h ILE 13 CO -0.09 0.46 0.12 0.50 0.00 0.00 0.00 178.15 179.14 1vpx h LYS 14 N 0.90 0.25 -0.61 2.37 1.63 -0.66 -0.62 116.57 119.84 1vpx h LYS 14 Ca 0.13 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.95 1vpx h LYS 14 Cb 0.72 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 1vpx h LYS 14 CO 0.05 0.16 0.36 0.87 -3.45 0.00 0.00 179.45 177.45 1vpx h LYS 15 N 0.25 0.68 -0.65 1.90 1.57 -1.00 0.25 116.57 119.57 1vpx h LYS 15 Ca 0.09 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1vpx h LYS 15 Cb 0.00 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.09 1vpx h LYS 15 CO -0.05 0.45 0.31 0.78 -0.57 0.00 0.00 179.45 180.37 1vpx h GLY 16 N 0.70 0.96 1.34 3.86 0.00 -0.77 -1.12 103.07 108.04 1vpx h GLY 16 Ca 0.25 -0.19 -0.25 0.00 0.00 0.00 0.00 47.33 47.14 1vpx h GLY 16 CO -0.12 0.05 -0.99 -2.08 0.00 0.00 0.00 176.54 173.40 1vpx h VAL 17 N 0.54 1.32 -0.86 4.60 2.07 -0.56 -2.40 116.25 120.97 1vpx h VAL 17 Ca 0.32 -2.30 0.11 0.00 0.82 0.00 0.00 66.70 65.65 1vpx h VAL 17 Cb 0.33 2.36 -0.06 0.00 -1.52 0.00 0.00 31.29 32.40 1vpx h VAL 17 CO -0.26 0.70 0.56 -0.33 0.02 0.00 0.00 177.57 178.26 1vpx h GLU 18 N 0.35 0.75 0.00 1.57 5.08 -0.29 -1.14 114.58 120.89 1vpx h GLU 18 Ca -0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1vpx h GLU 18 Cb 1.63 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1vpx h GLU 18 CO 0.19 0.49 0.00 -1.49 -1.00 0.00 0.00 179.01 177.20 1vpx h TRP 19 N 0.77 0.00 -1.50 4.33 6.55 -1.04 -3.47 115.95 121.58 1vpx h TRP 19 Ca 0.41 0.00 -0.22 0.00 0.95 0.00 0.00 58.89 60.02 1vpx h TRP 19 Cb 0.52 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.81 1vpx h TRP 19 CO -0.00 0.00 -0.28 0.41 -1.05 0.00 0.00 178.44 177.52 1vpx n GLY 20 N 0.53 0.02 0.00 1.49 0.00 -0.43 -4.91 105.19 101.89 1vpx n GLY 20 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1vpx n GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vpx n ILE 21 N -3.90 0.00 -4.01 -0.61 -5.35 -1.03 -5.00 119.36 99.47 1vpx n ILE 21 Ca -0.13 -0.47 -0.35 0.00 -0.27 0.00 0.00 62.75 61.53 1vpx n ILE 21 Cb 0.58 0.98 -0.12 0.00 -1.74 0.00 0.00 39.64 39.35 1vpx n ILE 21 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1vpx s VAL 22 N -1.08 4.24 -0.42 7.28 1.01 -1.17 -4.27 120.40 125.99 1vpx s VAL 22 Ca 0.00 -0.21 0.16 0.00 0.00 0.00 0.00 61.98 61.93 1vpx s VAL 22 Cb 0.00 -2.93 -0.21 0.00 0.00 0.00 0.00 36.38 33.25 1vpx s VAL 22 CO 0.02 0.42 0.52 0.47 0.00 0.00 0.00 175.10 176.54 1vpx n ASP 23 N 4.19 1.00 -2.05 3.32 8.00 0.62 -4.67 116.55 126.95 1vpx n ASP 23 Ca -0.17 -0.48 -0.00 0.00 0.71 0.00 0.00 54.79 54.85 1vpx n ASP 23 Cb 0.52 1.33 0.01 0.00 -0.02 0.00 0.00 41.12 42.95 1vpx n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vpx n GLY 24 N 1.47 0.74 3.04 0.44 0.00 -1.23 -3.68 105.19 105.97 1vpx n GLY 24 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1vpx n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vpx s VAL 25 N -2.23 0.01 -0.07 1.61 1.01 -0.08 -2.12 120.40 118.53 1vpx s VAL 25 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1vpx s VAL 25 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1vpx s VAL 25 CO 0.01 -0.04 -0.13 0.42 0.00 0.00 0.00 175.10 175.37 1vpx s THR 26 N -0.05 3.15 0.25 3.92 -4.23 0.54 -1.01 115.64 118.22 1vpx s THR 26 Ca -0.01 -0.67 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 1vpx s THR 26 Cb -0.02 -2.26 -0.05 0.00 1.34 0.00 0.00 72.50 71.50 1vpx s THR 26 CO 0.00 0.58 0.03 0.28 -0.54 0.00 0.00 174.62 174.97 1vpx s THR 27 N -0.47 0.95 0.27 3.99 -1.32 -0.77 -2.55 115.64 115.73 1vpx s THR 27 Ca 0.06 -2.02 -0.21 0.00 -1.21 0.00 0.00 61.69 58.31 1vpx s THR 27 Cb -0.12 -2.49 0.02 0.00 -1.51 0.00 0.00 72.50 68.40 1vpx s THR 27 CO 0.02 -0.19 0.72 0.54 -2.21 0.00 0.00 174.62 173.49 1vpx s ASN 28 N -3.34 -0.28 0.16 8.08 2.20 -1.26 -4.58 114.94 115.92 1vpx s ASN 28 Ca 0.32 -0.57 -0.11 0.00 -0.94 0.00 0.00 52.86 51.57 1vpx s ASN 28 Cb 0.07 0.72 0.03 0.00 -2.00 0.00 0.00 41.25 40.06 1vpx s ASN 28 CO 0.11 -1.32 1.60 -0.65 -2.94 0.00 0.00 177.10 173.90 1vpx h PRO 29 N 2.00 0.96 -0.43 3.55 0.11 -1.98 -1.85 132.00 134.35 1vpx h PRO 29 Ca -0.20 -0.33 0.09 0.00 0.11 0.00 0.00 66.00 65.67 1vpx h PRO 29 Cb 1.25 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 1vpx h PRO 29 CO 0.24 0.99 -0.25 1.79 -0.21 0.00 0.00 178.00 180.56 1vpx h THR 30 N 0.83 0.32 -0.45 -1.15 1.35 -1.98 1.36 112.91 113.19 1vpx h THR 30 Ca 0.14 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.04 1vpx h THR 30 Cb 0.59 0.32 -0.04 0.00 -1.73 0.00 0.00 68.15 67.29 1vpx h THR 30 CO 0.04 0.00 0.23 -0.07 -0.25 0.00 0.00 175.52 175.47 1vpx h LEU 31 N -0.17 0.35 0.18 3.87 3.38 -1.94 -0.94 115.31 120.04 1vpx h LEU 31 Ca 0.20 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1vpx h LEU 31 Cb 0.49 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1vpx h LEU 31 CO -0.53 0.25 -0.09 0.40 0.09 0.00 0.00 178.44 178.56 1vpx h ILE 32 N 0.47 0.84 -0.57 1.22 2.04 -0.39 -2.87 117.51 118.24 1vpx h ILE 32 Ca 0.19 -0.10 0.12 0.00 1.00 0.00 0.00 64.86 66.07 1vpx h ILE 32 Cb 0.08 0.90 -0.10 0.00 -0.74 0.00 0.00 36.82 36.96 1vpx h ILE 32 CO -0.12 0.02 -0.09 0.28 0.00 0.00 0.00 178.15 178.24 1vpx h SER 33 N -0.30 -0.42 0.00 1.72 0.02 0.19 -3.50 113.55 111.26 1vpx h SER 33 Ca -0.03 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1vpx h SER 33 Cb 0.23 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1vpx h SER 33 CO 0.04 -0.16 0.00 0.29 -1.14 0.00 0.00 176.83 175.87 1vpx n LYS 34 N -5.35 0.00 0.00 3.45 4.01 -0.37 -5.09 118.16 114.81 1vpx n LYS 34 Ca 0.07 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.95 1vpx n LYS 34 Cb 0.31 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.33 1vpx n LYS 34 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1vpx n PHE 39 N -1.06 0.00 -0.34 2.13 7.35 -1.26 -5.09 117.46 119.19 1vpx n PHE 39 Ca 0.00 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 1vpx n PHE 39 Cb 0.00 0.22 0.19 0.00 0.35 0.00 0.00 39.48 40.24 1vpx n PHE 39 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1vpx h LYS 40 N 0.00 1.12 0.02 -4.13 6.56 -2.02 -0.66 116.57 117.47 1vpx h LYS 40 Ca 0.00 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1vpx h LYS 40 Cb 0.00 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.41 1vpx h LYS 40 CO 0.00 0.74 -0.01 0.37 -2.06 0.00 0.00 179.45 178.49 1vpx h GLN 41 N 1.16 -0.03 -0.86 3.15 5.75 -2.04 -1.66 115.11 120.58 1vpx h GLN 41 Ca 0.40 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.98 1vpx h GLN 41 Cb 0.09 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.59 1vpx h GLN 41 CO -0.14 0.49 0.56 -0.09 -2.65 0.00 0.00 178.83 177.00 1vpx h ARG 42 N -0.57 0.86 -0.51 1.69 1.12 -1.96 0.45 114.38 115.45 1vpx h ARG 42 Ca -0.00 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 58.76 1vpx h ARG 42 Cb 0.54 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.28 1vpx h ARG 42 CO 0.01 0.57 0.11 0.28 -3.11 0.00 0.00 179.97 177.82 1vpx h VAL 43 N 0.88 1.25 -0.37 0.20 2.07 -1.05 -1.54 116.25 117.69 1vpx h VAL 43 Ca 0.39 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1vpx h VAL 43 Cb 0.34 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1vpx h VAL 43 CO -0.15 0.32 0.20 0.50 0.02 0.00 0.00 177.57 178.46 1vpx h LYS 44 N 0.72 0.51 -0.68 1.57 3.11 -0.15 -1.22 116.57 120.43 1vpx h LYS 44 Ca 0.16 -0.06 0.01 0.00 -2.81 0.00 0.00 60.65 57.95 1vpx h LYS 44 Cb 0.36 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.45 1vpx h LYS 44 CO 0.00 0.43 0.45 0.93 -2.81 0.00 0.00 179.45 178.45 1vpx h GLU 45 N 0.47 0.89 -0.38 1.90 5.08 -0.88 -1.70 114.58 119.96 1vpx h GLU 45 Ca 0.13 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1vpx h GLU 45 Cb 0.06 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1vpx h GLU 45 CO -0.02 0.59 0.14 0.82 -1.00 0.00 0.00 179.01 179.54 1vpx h ILE 46 N 0.92 1.20 -0.52 3.13 2.04 -1.14 -2.24 117.51 120.91 1vpx h ILE 46 Ca 0.25 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.51 1vpx h ILE 46 Cb -0.10 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1vpx h ILE 46 CO -0.06 0.23 0.26 0.00 0.00 0.00 0.00 178.15 178.59 1vpx h ASP 48 N 0.51 0.21 0.00 0.00 3.32 -1.22 -0.17 116.42 119.07 1vpx h ASP 48 Ca 0.23 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 1vpx h ASP 48 Cb 0.14 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1vpx h ASP 48 CO -0.16 0.29 -0.31 0.25 -1.72 0.00 0.00 179.24 177.60 1vpx h LEU 49 N 0.22 0.00 0.00 1.55 5.85 -0.78 -3.38 115.31 118.77 1vpx h LEU 49 Ca 0.05 -0.81 -0.21 0.00 0.84 0.00 0.00 57.88 57.76 1vpx h LEU 49 Cb 0.22 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1vpx h LEU 49 CO 0.01 1.08 -1.00 -0.37 -0.34 0.00 0.00 178.44 177.82 1vpx h VAL 50 N -1.00 1.68 -6.52 1.05 -1.51 -1.03 -3.48 116.25 105.43 1vpx h VAL 50 Ca -0.08 -3.38 -0.50 0.00 -1.23 0.00 0.00 66.70 61.51 1vpx h VAL 50 Cb 1.00 2.83 -0.03 0.00 -2.13 0.00 0.00 31.29 32.96 1vpx h VAL 50 CO -0.05 0.95 -0.92 0.29 -1.23 0.00 0.00 177.57 176.62 1vpx n LYS 51 N -3.34 -2.40 -3.81 5.19 5.02 -0.08 -4.85 118.16 113.90 1vpx n LYS 51 Ca -0.00 0.36 -0.08 0.00 -2.02 0.00 0.00 58.31 56.56 1vpx n LYS 51 Cb 0.94 -4.19 0.02 0.00 -0.02 0.00 0.00 35.03 31.78 1vpx n LYS 51 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1vpx s GLY 52 N -4.11 0.35 0.10 0.72 0.00 -1.26 -5.01 107.32 98.11 1vpx s GLY 52 Ca 0.14 -0.72 -0.34 0.00 0.00 0.00 0.00 44.72 43.80 1vpx s GLY 52 CO 0.90 -0.13 1.67 -1.05 0.00 0.00 0.00 173.10 174.48 1vpx n PRO 53 N -0.54 2.20 -4.00 2.90 -0.02 -1.24 -4.77 135.00 129.53 1vpx n PRO 53 Ca -0.08 0.80 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 1vpx n PRO 53 Cb 0.60 -2.59 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 1vpx n PRO 53 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vpx s VAL 54 N 1.76 1.85 -0.03 -1.45 1.01 -0.47 -0.90 120.40 122.18 1vpx s VAL 54 Ca 0.82 -1.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 1vpx s VAL 54 Cb -0.67 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1vpx s VAL 54 CO 0.41 -0.08 0.93 -0.44 0.00 0.00 0.00 175.10 175.92 1vpx s SER 55 N 1.24 7.27 -0.01 3.32 0.01 -0.18 -0.42 113.70 124.94 1vpx s SER 55 Ca -0.07 1.54 0.01 0.00 1.31 0.00 0.00 55.95 58.74 1vpx s SER 55 Cb -0.19 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.51 1vpx s SER 55 CO -0.06 -0.27 -0.02 0.00 0.41 0.00 0.00 173.24 173.31 1vpx s ALA 56 N 1.16 0.26 0.36 1.44 0.00 0.07 -1.85 121.76 123.20 1vpx s ALA 56 Ca 0.48 -0.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 1vpx s ALA 56 Cb -0.20 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.70 1vpx s ALA 56 CO 0.24 0.02 0.75 -2.00 0.00 0.00 0.00 175.76 174.77 1vpx s GLU 57 N 0.27 3.89 0.41 0.00 2.56 -1.26 -0.82 118.70 123.75 1vpx s GLU 57 Ca -0.02 0.56 -0.03 0.00 0.00 0.00 0.00 54.97 55.48 1vpx s GLU 57 Cb -0.05 -2.41 -0.04 0.00 2.00 0.00 0.00 34.13 33.63 1vpx s GLU 57 CO -0.01 0.06 0.68 0.14 -0.56 0.00 0.00 175.26 175.57 1vpx s VAL 58 N -2.18 4.99 -0.15 3.70 -7.23 -1.24 -4.89 120.40 113.41 1vpx s VAL 58 Ca 0.53 -0.07 -0.25 0.00 -1.81 0.00 0.00 61.98 60.38 1vpx s VAL 58 Cb -0.10 -3.85 -0.22 0.00 0.56 0.00 0.00 36.38 32.76 1vpx s VAL 58 CO 0.24 -0.70 0.58 0.58 -0.31 0.00 0.00 175.10 175.50 1vpx h VAL 59 N 0.52 1.44 -4.19 1.32 2.07 -1.95 -3.48 116.25 111.98 1vpx h VAL 59 Ca -0.48 -2.16 -0.51 0.00 0.82 0.00 0.00 66.70 64.37 1vpx h VAL 59 Cb 1.21 2.80 0.10 0.00 -1.52 0.00 0.00 31.29 33.88 1vpx h VAL 59 CO 0.62 0.49 0.38 -0.55 0.02 0.00 0.00 177.57 178.53 1vpx s SER 60 N -6.25 5.17 -0.00 0.57 0.15 -1.26 -4.98 113.70 107.09 1vpx s SER 60 Ca -0.19 2.02 0.04 0.00 0.70 0.00 0.00 55.95 58.53 1vpx s SER 60 Cb -0.01 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 1vpx s SER 60 CO 0.60 -1.59 0.15 0.18 1.20 0.00 0.00 173.24 173.77 1vpx n LEU 61 N -2.29 0.13 -4.84 3.45 4.77 -1.26 -4.53 117.00 112.43 1vpx n LEU 61 Ca 0.11 -0.33 -0.32 0.00 -0.03 0.00 0.00 56.01 55.43 1vpx n LEU 61 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1vpx n LEU 61 CO 0.47 0.03 0.63 1.51 -1.33 0.00 0.00 177.39 178.70 1vpx s ASP 62 N -1.78 6.76 0.17 -1.43 -4.77 -1.26 -4.74 116.67 109.63 1vpx s ASP 62 Ca 0.00 1.56 -0.15 0.00 -3.30 0.00 0.00 52.55 50.67 1vpx s ASP 62 Cb 0.03 -2.49 0.13 0.00 -1.09 0.00 0.00 42.92 39.50 1vpx s ASP 62 CO 0.17 -0.44 1.71 0.22 0.70 0.00 0.00 175.17 177.53 1vpx h TYR 63 N 1.48 0.07 -0.12 2.11 3.20 -1.95 -0.27 116.97 121.49 1vpx h TYR 63 Ca -0.48 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.42 1vpx h TYR 63 Cb 1.18 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1vpx h TYR 63 CO 0.63 -0.03 0.06 0.93 -1.64 0.00 0.00 178.16 178.10 1vpx h GLU 64 N 0.17 0.17 -0.63 1.82 3.07 -1.94 -2.00 114.58 115.23 1vpx h GLU 64 Ca 0.21 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.99 1vpx h GLU 64 Cb 0.28 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1vpx h GLU 64 CO -0.31 0.22 0.17 0.78 -1.40 0.00 0.00 179.01 178.48 1vpx h GLY 65 N 0.08 1.07 1.01 -3.84 0.00 -1.91 -1.32 103.07 98.15 1vpx h GLY 65 Ca 0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1vpx h GLY 65 CO -0.01 0.61 0.39 -0.33 0.00 0.00 0.00 176.54 177.20 1vpx h MET 66 N 0.92 1.00 -0.19 4.80 2.86 -0.91 -0.93 114.93 122.48 1vpx h MET 66 Ca 0.20 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1vpx h MET 66 Cb 0.33 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1vpx h MET 66 CO -0.00 0.75 -0.10 0.28 1.06 0.00 0.00 176.91 178.90 1vpx h VAL 67 N 0.99 1.31 -0.12 -2.22 2.07 -1.32 -0.21 116.25 116.75 1vpx h VAL 67 Ca 0.25 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1vpx h VAL 67 Cb 0.05 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1vpx h VAL 67 CO -0.04 0.35 -0.27 0.03 0.02 0.00 0.00 177.57 177.66 1vpx h ARG 68 N 0.08 -0.33 -0.23 1.57 3.08 -1.11 -2.16 114.38 115.26 1vpx h ARG 68 Ca 0.04 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1vpx h ARG 68 Cb 0.59 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1vpx h ARG 68 CO 0.03 -0.22 -0.37 0.93 -1.07 0.00 0.00 179.97 179.27 1vpx h GLU 69 N -0.34 0.52 -0.64 0.04 5.08 -1.16 -2.83 114.58 115.25 1vpx h GLU 69 Ca 0.10 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1vpx h GLU 69 Cb 0.49 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1vpx h GLU 69 CO -0.32 0.81 0.38 0.00 -1.00 0.00 0.00 179.01 178.88 1vpx h ALA 70 N 1.17 0.83 -0.50 3.43 0.00 -0.81 0.20 119.26 123.58 1vpx h ALA 70 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1vpx h ALA 70 Cb 0.84 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1vpx h ALA 70 CO 0.07 0.11 0.09 0.00 0.00 0.00 0.00 179.25 179.52 1vpx h ARG 71 N 0.74 0.78 -0.05 0.00 3.08 -1.23 0.90 114.38 118.60 1vpx h ARG 71 Ca 0.26 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1vpx h ARG 71 Cb 0.07 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1vpx h ARG 71 CO -0.12 0.72 -0.01 1.49 -1.07 0.00 0.00 179.97 180.98 1vpx h GLU 72 N 0.74 0.09 -0.80 0.04 4.81 -1.21 -3.00 114.58 115.26 1vpx h GLU 72 Ca 0.16 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1vpx h GLU 72 Cb 0.32 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1vpx h GLU 72 CO 0.00 0.42 0.35 -0.07 -0.73 0.00 0.00 179.01 178.98 1vpx h LEU 73 N -0.24 1.08 -1.82 1.64 3.38 -0.74 -2.58 115.31 116.03 1vpx h LEU 73 Ca 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1vpx h LEU 73 Cb 0.39 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1vpx h LEU 73 CO 0.00 0.94 -0.05 0.00 0.09 0.00 0.00 178.44 179.42 1vpx h ALA 74 N 1.18 1.85 0.00 1.53 0.00 -0.83 -1.65 119.26 121.34 1vpx h ALA 74 Ca 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1vpx h ALA 74 Cb 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1vpx h ALA 74 CO -0.03 0.11 -0.01 1.96 0.00 0.00 0.00 179.25 181.29 1vpx h GLN 75 N 0.05 0.00 -0.70 0.00 1.08 -1.31 -3.03 115.11 111.20 1vpx h GLN 75 Ca 0.01 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 1vpx h GLN 75 Cb 0.12 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1vpx h GLN 75 CO 0.01 0.01 0.14 0.82 -0.95 0.00 0.00 178.83 178.85 1vpx h ILE 76 N 0.00 1.26 -1.54 2.54 2.04 -1.40 -3.46 117.51 116.96 1vpx h ILE 76 Ca -0.00 -1.02 0.11 0.00 1.00 0.00 0.00 64.86 64.95 1vpx h ILE 76 Cb 0.06 0.58 -0.23 0.00 -0.74 0.00 0.00 36.82 36.49 1vpx h ILE 76 CO 0.00 0.39 0.60 -0.55 0.00 0.00 0.00 178.15 178.59 1vpx s SER 77 N -6.48 -0.32 0.66 1.72 0.15 -1.15 -4.95 113.70 103.33 1vpx s SER 77 Ca -0.12 0.33 0.44 0.00 0.70 0.00 0.00 55.95 57.30 1vpx s SER 77 Cb 0.15 0.27 2.38 0.00 -1.71 0.00 0.00 66.02 67.10 1vpx s SER 77 CO 0.85 -0.32 2.36 1.05 1.20 0.00 0.00 173.24 178.38 1vpx h GLU 78 N 2.45 0.00 0.00 5.44 9.09 -1.90 -2.45 114.58 127.21 1vpx h GLU 78 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.24 1vpx h GLU 78 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1vpx h GLU 78 CO 0.30 0.00 -0.32 1.88 0.05 0.00 0.00 179.01 180.92 1vpx h TYR 79 N 0.00 0.00 -3.02 2.06 0.05 -1.92 -3.47 116.97 110.67 1vpx h TYR 79 Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 1vpx h TYR 79 Cb 0.02 0.00 0.04 0.00 1.01 0.00 0.00 36.73 37.80 1vpx h TYR 79 CO 0.00 0.00 0.79 0.08 -1.05 0.00 0.00 178.16 177.98 1vpx s VAL 80 N -3.15 2.87 -0.08 -2.88 1.01 -0.93 -1.36 120.40 115.88 1vpx s VAL 80 Ca 0.08 0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.75 1vpx s VAL 80 Cb 0.12 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1vpx s VAL 80 CO 0.66 0.06 -0.21 -0.69 0.00 0.00 0.00 175.10 174.93 1vpx s VAL 81 N 0.84 2.36 -0.24 2.92 1.01 0.44 -4.65 120.40 123.07 1vpx s VAL 81 Ca 0.65 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 1vpx s VAL 81 Cb -0.41 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1vpx s VAL 81 CO 0.34 0.56 0.61 -0.63 0.00 0.00 0.00 175.10 175.98 1vpx s ILE 82 N -0.03 5.01 -0.12 2.22 -1.09 -0.32 -0.75 121.20 126.12 1vpx s ILE 82 Ca -0.07 1.10 -0.29 0.00 -2.23 0.00 0.00 60.65 59.16 1vpx s ILE 82 Cb -0.15 -3.92 -0.01 0.00 -1.58 0.00 0.00 42.46 36.80 1vpx s ILE 82 CO 0.05 0.06 1.10 -0.54 -1.23 0.00 0.00 174.94 174.38 1vpx s LYS 83 N 2.32 4.35 -0.10 2.79 1.02 0.00 -0.29 119.74 129.82 1vpx s LYS 83 Ca 0.26 1.50 0.03 0.00 0.02 0.00 0.00 55.97 57.77 1vpx s LYS 83 Cb -0.16 -3.59 0.01 0.00 -0.52 0.00 0.00 37.83 33.57 1vpx s LYS 83 CO 0.09 -0.46 -0.19 0.42 -0.92 0.00 0.00 175.35 174.29 1vpx s ILE 84 N 2.48 1.70 0.49 2.17 1.01 0.34 -3.63 121.20 125.76 1vpx s ILE 84 Ca 0.50 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 1vpx s ILE 84 Cb -0.20 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.70 1vpx s ILE 84 CO 0.16 0.48 1.20 -2.16 0.00 0.00 0.00 174.94 174.63 1vpx s PRO 85 N 0.67 3.55 -0.88 2.79 0.04 -1.26 -0.30 135.00 139.61 1vpx s PRO 85 Ca -0.13 1.86 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 1vpx s PRO 85 Cb -0.16 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1vpx s PRO 85 CO 0.03 -0.75 1.86 1.41 0.04 0.00 0.00 177.00 179.60 1vpx s MET 86 N -2.83 2.70 0.13 4.56 1.75 -0.35 -4.41 119.30 120.86 1vpx s MET 86 Ca 0.67 -0.28 -0.04 0.00 -1.25 0.00 0.00 55.69 54.80 1vpx s MET 86 Cb -0.31 -5.00 -0.03 0.00 2.84 0.00 0.00 34.83 32.34 1vpx s MET 86 CO 0.37 -3.13 0.11 0.95 -0.65 0.00 0.00 175.02 172.67 1vpx s THR 87 N 9.24 0.11 0.16 10.11 -4.23 -1.26 -5.00 115.64 124.77 1vpx s THR 87 Ca 0.66 -1.71 -0.19 0.00 -1.18 0.00 0.00 61.69 59.27 1vpx s THR 87 Cb -0.07 -1.88 0.08 0.00 1.34 0.00 0.00 72.50 71.97 1vpx s THR 87 CO 0.01 -0.50 1.65 -0.65 -0.54 0.00 0.00 174.62 174.59 1vpx h PRO 88 N 2.81 -0.11 -0.57 3.99 0.11 -1.99 0.93 132.00 137.17 1vpx h PRO 88 Ca -0.34 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 1vpx h PRO 88 Cb 1.20 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1vpx h PRO 88 CO 0.57 -0.07 0.16 -0.44 -0.21 0.00 0.00 178.00 178.00 1vpx h ASP 89 N -0.11 0.80 -0.79 -2.05 5.19 -1.94 0.44 116.42 117.96 1vpx h ASP 89 Ca 0.18 -0.13 0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1vpx h ASP 89 Cb 0.39 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 39.64 1vpx h ASP 89 CO -0.43 0.77 0.50 1.23 -3.12 0.00 0.00 179.24 178.19 1vpx h GLY 90 N 0.98 1.14 1.35 2.75 0.00 -1.53 0.19 103.07 107.95 1vpx h GLY 90 Ca 0.19 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 1vpx h GLY 90 CO -0.01 0.32 -0.51 -2.22 0.00 0.00 0.00 176.54 174.12 1vpx h ILE 91 N 0.98 1.30 -0.52 2.60 1.08 -0.30 -0.73 117.51 121.92 1vpx h ILE 91 Ca 0.31 -1.72 0.02 0.00 -0.39 0.00 0.00 64.86 63.08 1vpx h ILE 91 Cb 0.01 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 1vpx h ILE 91 CO -0.11 0.55 0.31 0.50 -0.69 0.00 0.00 178.15 178.71 1vpx h LYS 92 N 0.54 0.60 -0.60 2.37 3.64 -0.51 -2.15 116.57 120.46 1vpx h LYS 92 Ca 0.02 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1vpx h LYS 92 Cb 1.07 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 1vpx h LYS 92 CO 0.10 0.40 0.33 0.00 -2.27 0.00 0.00 179.45 178.01 1vpx h ALA 93 N 1.23 0.77 -0.62 5.00 0.00 -0.26 -2.43 119.26 122.96 1vpx h ALA 93 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1vpx h ALA 93 Cb 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1vpx h ALA 93 CO -0.10 0.29 0.38 0.28 0.00 0.00 0.00 179.25 180.11 1vpx h VAL 94 N 0.81 1.17 -0.45 0.00 2.07 -0.89 0.21 116.25 119.17 1vpx h VAL 94 Ca 0.21 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.44 1vpx h VAL 94 Cb 0.05 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 1vpx h VAL 94 CO -0.03 0.18 0.09 0.50 0.02 0.00 0.00 177.57 178.32 1vpx h LYS 95 N 0.83 0.21 -0.06 1.57 3.11 -1.13 0.83 116.57 121.95 1vpx h LYS 95 Ca 0.22 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.04 1vpx h LYS 95 Cb -0.05 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.13 1vpx h LYS 95 CO -0.04 0.14 -0.02 1.15 -2.81 0.00 0.00 179.45 177.87 1vpx h THR 96 N 0.22 1.31 -0.61 1.00 2.02 -0.94 -2.89 112.91 113.02 1vpx h THR 96 Ca 0.22 -0.96 -0.10 0.00 0.77 0.00 0.00 66.41 66.35 1vpx h THR 96 Cb 0.28 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1vpx h THR 96 CO -0.29 0.26 0.01 -0.07 0.37 0.00 0.00 175.52 175.80 1vpx h LEU 97 N -0.25 1.04 -0.87 2.58 3.38 -0.39 -2.60 115.31 118.21 1vpx h LEU 97 Ca 0.01 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1vpx h LEU 97 Cb 0.43 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1vpx h LEU 97 CO 0.01 1.09 0.56 0.28 0.09 0.00 0.00 178.44 180.46 1vpx h SER 98 N 0.98 0.94 0.10 -0.43 0.02 -0.90 -0.90 113.55 113.35 1vpx h SER 98 Ca 0.17 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1vpx h SER 98 Cb 0.55 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1vpx h SER 98 CO 0.03 0.65 -0.06 0.00 -1.14 0.00 0.00 176.83 176.31 1vpx h ALA 99 N 1.35 1.67 -0.38 3.77 0.00 -1.25 -1.76 119.26 122.66 1vpx h ALA 99 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1vpx h ALA 99 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1vpx h ALA 99 CO -0.11 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.61 1vpx n GLU 100 N -4.14 2.12 -1.28 0.00 1.02 -0.62 -4.94 120.64 112.80 1vpx n GLU 100 Ca -0.03 -1.71 -0.08 0.00 -0.02 0.00 0.00 57.16 55.32 1vpx n GLU 100 Cb 0.14 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 1vpx n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vpx n GLY 101 N 1.30 0.95 3.67 0.62 0.00 -0.66 -5.01 105.19 106.05 1vpx n GLY 101 Ca 0.17 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1vpx n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vpx s ILE 102 N -2.30 5.30 0.32 -0.61 1.01 -0.44 -5.01 121.20 119.46 1vpx s ILE 102 Ca 0.00 0.39 -0.27 0.00 0.00 0.00 0.00 60.65 60.78 1vpx s ILE 102 Cb 0.00 -3.59 -0.10 0.00 0.01 0.00 0.00 42.46 38.78 1vpx s ILE 102 CO 0.00 0.32 0.98 -0.54 0.00 0.00 0.00 174.94 175.70 1vpx s LYS 103 N 1.10 4.56 0.06 2.79 1.02 -1.26 -3.71 119.74 124.30 1vpx s LYS 103 Ca 0.12 1.45 0.04 0.00 0.02 0.00 0.00 55.97 57.60 1vpx s LYS 103 Cb -0.14 -2.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1vpx s LYS 103 CO 0.05 0.23 -0.12 0.95 -0.92 0.00 0.00 175.35 175.55 1vpx s THR 104 N -1.50 0.92 -0.24 2.17 -4.23 -1.26 -1.18 115.64 110.32 1vpx s THR 104 Ca 0.49 -1.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.79 1vpx s THR 104 Cb -0.22 -0.91 0.07 0.00 1.34 0.00 0.00 72.50 72.78 1vpx s THR 104 CO 0.28 -0.26 0.01 0.21 -0.54 0.00 0.00 174.62 174.32 1vpx s ASN 105 N -1.65 3.64 -0.14 3.99 2.47 0.60 -0.86 114.94 122.99 1vpx s ASN 105 Ca -0.04 -1.21 -0.26 0.00 0.42 0.00 0.00 52.86 51.76 1vpx s ASN 105 Cb -0.10 -0.95 -0.02 0.00 -1.45 0.00 0.00 41.25 38.74 1vpx s ASN 105 CO 0.02 -0.30 0.87 -0.69 -3.72 0.00 0.00 177.10 173.28 1vpx s VAL 106 N 1.56 4.87 0.45 -5.21 1.01 -0.28 -0.50 120.40 122.30 1vpx s VAL 106 Ca -0.00 1.74 0.05 0.00 0.00 0.00 0.00 61.98 63.77 1vpx s VAL 106 Cb -0.18 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1vpx s VAL 106 CO -0.11 0.04 0.03 0.28 0.00 0.00 0.00 175.10 175.35 1vpx s THR 107 N 1.97 1.73 -1.27 3.92 -1.32 0.59 -0.09 115.64 121.18 1vpx s THR 107 Ca 0.41 -1.96 -0.01 0.00 -1.21 0.00 0.00 61.69 58.92 1vpx s THR 107 Cb -0.17 -2.69 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 1vpx s THR 107 CO 0.15 0.00 0.88 0.18 -2.21 0.00 0.00 174.62 173.62 1vpx n LEU 108 N -1.11 -3.55 -4.63 9.08 4.77 -1.25 -1.21 117.00 119.09 1vpx n LEU 108 Ca -0.09 -0.71 -0.37 0.00 -0.03 0.00 0.00 56.01 54.81 1vpx n LEU 108 Cb 0.67 -2.90 -0.10 0.00 -2.33 0.00 0.00 43.42 38.75 1vpx n LEU 108 CO 0.45 0.41 -0.18 -0.69 -1.33 0.00 0.00 177.39 176.05 1vpx s VAL 109 N -3.49 5.29 0.00 4.08 1.01 -1.22 -4.51 120.40 121.56 1vpx s VAL 109 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1vpx s VAL 109 Cb -0.03 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1vpx s VAL 109 CO 0.77 0.32 0.54 0.49 0.00 0.00 0.00 175.10 177.23 1vpx n PHE 110 N 4.48 0.00 -3.78 5.22 3.72 -1.26 -0.73 117.46 125.12 1vpx n PHE 110 Ca -0.15 -0.14 -0.13 0.00 -0.05 0.00 0.00 57.45 56.98 1vpx n PHE 110 Cb 0.52 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.96 1vpx n PHE 110 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1vpx s SER 111 N -0.28 -0.17 0.47 4.37 1.04 -1.26 -5.02 113.70 112.85 1vpx s SER 111 Ca 0.00 0.08 0.12 0.00 0.48 0.00 0.00 55.95 56.63 1vpx s SER 111 Cb 0.00 0.32 1.09 0.00 0.10 0.00 0.00 66.02 67.52 1vpx s SER 111 CO 0.00 -0.42 2.10 -0.65 0.98 0.00 0.00 173.24 175.26 1vpx h PRO 112 N 4.03 0.21 -0.45 4.02 0.11 -1.96 -2.12 132.00 135.85 1vpx h PRO 112 Ca -0.30 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1vpx h PRO 112 Cb 1.18 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1vpx h PRO 112 CO 0.40 0.16 0.23 0.00 -0.21 0.00 0.00 178.00 178.57 1vpx h ALA 113 N 1.88 0.58 -0.50 -0.75 0.00 -1.99 -1.68 119.26 116.80 1vpx h ALA 113 Ca 0.06 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1vpx h ALA 113 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1vpx h ALA 113 CO -0.01 0.12 0.28 1.96 0.00 0.00 0.00 179.25 181.61 1vpx h GLN 114 N 0.59 0.55 -0.94 0.00 4.20 -1.82 -2.78 115.11 114.90 1vpx h GLN 114 Ca 0.16 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.90 1vpx h GLN 114 Cb 0.09 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.68 1vpx h GLN 114 CO -0.02 0.36 0.61 0.00 -0.67 0.00 0.00 178.83 179.11 1vpx h ALA 115 N 1.23 1.46 0.02 3.87 0.00 -1.08 -0.89 119.26 123.87 1vpx h ALA 115 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1vpx h ALA 115 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1vpx h ALA 115 CO -0.11 0.40 -0.01 0.82 0.00 0.00 0.00 179.25 180.36 1vpx h ILE 116 N 1.09 1.06 -1.01 0.00 2.04 -1.06 -1.91 117.51 117.73 1vpx h ILE 116 Ca 0.40 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 66.06 1vpx h ILE 116 Cb 0.17 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1vpx h ILE 116 CO -0.15 0.06 0.66 -0.07 0.00 0.00 0.00 178.15 178.65 1vpx h LEU 117 N -0.12 1.14 0.09 1.44 3.38 -1.18 -0.19 115.31 119.87 1vpx h LEU 117 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1vpx h LEU 117 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1vpx h LEU 117 CO 0.00 0.81 -0.10 0.00 0.09 0.00 0.00 178.44 179.24 1vpx h ALA 118 N 1.38 -0.18 -0.31 1.53 0.00 -1.02 -0.78 119.26 119.89 1vpx h ALA 118 Ca 0.38 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1vpx h ALA 118 Cb -0.10 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1vpx h ALA 118 CO -0.10 -0.62 0.17 0.00 0.00 0.00 0.00 179.25 178.70 1vpx h ALA 119 N 0.68 0.38 -0.16 0.00 0.00 -1.03 -2.19 119.26 116.94 1vpx h ALA 119 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1vpx h ALA 119 Cb 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1vpx h ALA 119 CO -0.03 -0.20 -0.18 0.87 0.00 0.00 0.00 179.25 179.70 1vpx h LYS 120 N 0.35 0.26 0.00 0.00 1.57 -0.82 -1.75 116.57 116.18 1vpx h LYS 120 Ca 0.12 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1vpx h LYS 120 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1vpx h LYS 120 CO -0.07 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.26 1vpx h ALA 121 N 1.57 1.00 0.00 3.86 0.00 -0.82 -3.47 119.26 121.40 1vpx h ALA 121 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vpx h ALA 121 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1vpx h ALA 121 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1vpx n GLY 122 N 0.23 1.38 3.72 0.00 0.00 -0.66 -3.51 105.19 106.35 1vpx n GLY 122 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1vpx n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vpx n ALA 123 N -1.58 1.56 0.03 4.61 0.00 -0.86 -4.83 120.51 119.45 1vpx n ALA 123 Ca 0.00 0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.61 1vpx n ALA 123 Cb 0.00 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.10 1vpx n ALA 123 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1vpx h THR 124 N 2.47 1.33 -3.72 0.00 1.35 -1.67 -3.36 112.91 109.31 1vpx h THR 124 Ca -0.48 -2.21 -0.29 0.00 -0.55 0.00 0.00 66.41 62.88 1vpx h THR 124 Cb 1.28 2.23 -0.17 0.00 -1.73 0.00 0.00 68.15 69.76 1vpx h THR 124 CO 0.62 0.68 -0.72 -0.31 -0.25 0.00 0.00 175.52 175.53 1vpx s TYR 125 N -3.48 1.02 -0.00 4.73 1.51 -0.04 -1.14 117.35 119.95 1vpx s TYR 125 Ca -0.08 -0.72 0.06 0.00 -1.01 0.00 0.00 57.07 55.32 1vpx s TYR 125 Cb 0.09 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 41.36 1vpx s TYR 125 CO 0.89 -0.03 -0.18 0.54 -1.11 0.00 0.00 175.55 175.66 1vpx s VAL 126 N -2.77 1.40 -0.50 0.71 0.11 -0.25 -1.13 120.40 117.98 1vpx s VAL 126 Ca 0.07 -0.84 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 1vpx s VAL 126 Cb -0.01 -1.18 0.14 0.00 -1.53 0.00 0.00 36.38 33.80 1vpx s VAL 126 CO -0.01 0.33 0.28 -0.44 -3.33 0.00 0.00 175.10 171.93 1vpx s SER 127 N -0.59 4.03 0.23 3.54 0.01 0.87 -0.08 113.70 121.71 1vpx s SER 127 Ca 0.06 -2.95 -0.30 0.00 1.31 0.00 0.00 55.95 54.08 1vpx s SER 127 Cb -0.07 -1.37 -0.09 0.00 0.21 0.00 0.00 66.02 64.70 1vpx s SER 127 CO -0.00 -0.23 1.19 -2.84 0.41 0.00 0.00 173.24 171.77 1vpx s PRO 128 N -0.14 4.51 -0.81 12.44 0.02 -1.22 -3.44 135.00 146.37 1vpx s PRO 128 Ca 0.18 1.90 -0.18 0.00 0.02 0.00 0.00 61.00 62.92 1vpx s PRO 128 Cb -0.22 -3.21 0.13 0.00 0.02 0.00 0.00 34.50 31.22 1vpx s PRO 128 CO -0.02 -0.02 0.95 -0.06 -0.33 0.00 0.00 177.00 177.52 1vpx s PHE 129 N -0.46 3.16 0.01 6.54 0.40 0.09 -1.58 117.98 126.15 1vpx s PHE 129 Ca 0.50 -1.32 -0.22 0.00 -0.60 0.00 0.00 56.93 55.29 1vpx s PHE 129 Cb -0.33 -4.14 -0.12 0.00 0.51 0.00 0.00 43.02 38.93 1vpx s PHE 129 CO 0.40 -1.37 1.02 0.28 0.70 0.00 0.00 175.22 176.25 1vpx h VAL 130 N 5.67 0.00 -0.86 -0.44 2.07 -1.49 -3.12 116.25 118.09 1vpx h VAL 130 Ca 0.00 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1vpx h VAL 130 Cb 1.05 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1vpx h VAL 130 CO 1.05 0.00 0.56 1.23 0.02 0.00 0.00 177.57 180.43 1vpx h GLY 131 N -1.06 1.23 1.42 2.17 0.00 -1.11 -0.48 103.07 105.23 1vpx h GLY 131 Ca -0.08 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 1vpx h GLY 131 CO 0.13 0.23 -0.26 3.21 0.00 0.00 0.00 176.54 179.85 1vpx h ARG 132 N 0.89 0.67 -0.33 4.80 3.08 -1.78 -2.00 114.38 119.70 1vpx h ARG 132 Ca 0.39 -0.28 -0.16 0.00 0.07 0.00 0.00 59.98 60.00 1vpx h ARG 132 Cb 0.34 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1vpx h ARG 132 CO -0.16 0.86 -0.42 0.52 -1.07 0.00 0.00 179.97 179.71 1vpx h MET 133 N 0.58 0.83 -0.89 0.04 2.86 -1.27 -3.08 114.93 114.00 1vpx h MET 133 Ca 0.08 -0.45 0.16 0.00 -2.06 0.00 0.00 59.70 57.42 1vpx h MET 133 Cb 0.75 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.34 1vpx h MET 133 CO 0.06 1.09 0.48 -0.44 1.06 0.00 0.00 176.91 179.16 1vpx h ASP 134 N 0.67 0.59 1.14 1.22 5.19 -0.84 -1.75 116.42 122.65 1vpx h ASP 134 Ca 0.05 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1vpx h ASP 134 Cb 1.00 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1vpx h ASP 134 CO 0.10 0.24 0.00 0.44 -3.12 0.00 0.00 179.24 176.90 1vpx h ASP 135 N 0.66 0.00 0.36 6.45 5.19 -1.29 0.42 116.42 128.22 1vpx h ASP 135 Ca 0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 1vpx h ASP 135 Cb 0.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1vpx h ASP 135 CO -0.37 0.00 -0.04 0.18 -3.12 0.00 0.00 179.24 175.89 1vpx n LEU 136 N -2.64 0.22 -2.19 1.55 4.77 -0.67 -4.94 117.00 113.10 1vpx n LEU 136 Ca 0.03 0.10 -0.18 0.00 -0.03 0.00 0.00 56.01 55.93 1vpx n LEU 136 Cb 0.33 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1vpx n LEU 136 CO 0.26 0.04 -0.22 -1.54 -1.33 0.00 0.00 177.39 174.60 1vpx n SER 137 N -1.07 -5.18 -1.30 -1.43 3.41 0.14 -4.87 113.62 103.33 1vpx n SER 137 Ca 0.16 0.15 0.12 0.00 -0.26 0.00 0.00 58.87 59.04 1vpx n SER 137 Cb 0.23 -4.40 0.30 0.00 -0.26 0.00 0.00 64.21 60.08 1vpx n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1vpx n ASN 138 N -1.73 3.78 -2.39 4.04 5.03 -1.12 -5.04 115.26 117.83 1vpx n ASN 138 Ca -0.21 -2.00 -0.01 0.00 0.87 0.00 0.00 54.58 53.24 1vpx n ASN 138 Cb 0.65 -0.44 -0.01 0.00 -1.02 0.00 0.00 39.78 38.96 1vpx n ASN 138 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1vpx n ASP 139 N 1.58 -5.59 0.14 6.41 -0.08 -1.24 -4.83 116.55 112.95 1vpx n ASP 139 Ca 0.23 1.06 -0.01 0.00 -1.51 0.00 0.00 54.79 54.56 1vpx n ASP 139 Cb 0.61 -4.21 0.20 0.00 2.34 0.00 0.00 41.12 40.05 1vpx n ASP 139 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1vpx h GLY 140 N 2.38 0.00 1.78 0.27 0.00 -1.76 -2.93 103.07 102.80 1vpx h GLY 140 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 1vpx h GLY 140 CO 0.06 0.00 -0.66 1.98 0.00 0.00 0.00 176.54 177.93 1vpx h MET 141 N 0.00 0.22 -0.42 4.80 -1.53 -1.93 -0.71 114.93 115.36 1vpx h MET 141 Ca -0.01 -0.17 -0.11 0.00 -3.44 0.00 0.00 59.70 55.98 1vpx h MET 141 Cb 1.03 0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 32.09 1vpx h MET 141 CO 0.08 0.80 -0.17 -0.09 0.14 0.00 0.00 176.91 177.66 1vpx h ARG 142 N 0.16 0.86 -0.32 0.39 2.43 -1.90 -0.25 114.38 115.75 1vpx h ARG 142 Ca -0.01 -0.36 -0.13 0.00 -0.81 0.00 0.00 59.98 58.67 1vpx h ARG 142 Cb 1.18 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1vpx h ARG 142 CO 0.10 1.01 -0.32 0.00 -1.51 0.00 0.00 179.97 179.25 1vpx h MET 143 N 0.69 0.69 -0.40 0.20 -0.00 -1.32 -1.58 114.93 113.20 1vpx h MET 143 Ca 0.10 -0.32 -0.00 0.00 -0.00 0.00 0.00 59.70 59.48 1vpx h MET 143 Cb 0.73 -0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.30 1vpx h MET 143 CO 0.06 0.92 0.24 1.25 -0.00 0.00 0.00 176.91 179.37 1vpx h LEU 144 N 0.58 0.48 -1.47 -0.10 5.85 -1.06 -2.42 115.31 117.17 1vpx h LEU 144 Ca 0.07 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1vpx h LEU 144 Cb 0.83 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1vpx h LEU 144 CO 0.07 0.40 0.41 1.23 -0.34 0.00 0.00 178.44 180.21 1vpx h GLY 145 N 0.52 0.80 1.88 3.75 0.00 -0.74 -0.48 103.07 108.80 1vpx h GLY 145 Ca 0.14 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 1vpx h GLY 145 CO -0.03 0.22 -0.61 0.83 0.00 0.00 0.00 176.54 176.95 1vpx h GLU 146 N 0.67 0.12 -0.16 4.80 5.08 -0.93 -1.77 114.58 122.39 1vpx h GLU 146 Ca 0.26 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1vpx h GLU 146 Cb 0.18 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1vpx h GLU 146 CO -0.08 0.69 -0.23 0.82 -1.00 0.00 0.00 179.01 179.21 1vpx h ILE 147 N 0.09 1.35 -0.46 3.13 2.04 -0.88 -1.34 117.51 121.45 1vpx h ILE 147 Ca -0.01 -1.45 0.08 0.00 1.00 0.00 0.00 64.86 64.48 1vpx h ILE 147 Cb 1.10 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 39.02 1vpx h ILE 147 CO 0.09 0.43 0.07 0.58 0.00 0.00 0.00 178.15 179.32 1vpx h VAL 148 N 0.08 0.73 -0.20 1.67 2.07 -1.09 0.10 116.25 119.60 1vpx h VAL 148 Ca 0.02 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1vpx h VAL 148 Cb 0.80 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1vpx h VAL 148 CO 0.05 0.04 0.12 -0.08 0.02 0.00 0.00 177.57 177.72 1vpx h GLU 149 N 0.20 0.27 -0.61 1.57 4.57 -1.30 0.60 114.58 119.88 1vpx h GLU 149 Ca 0.23 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.31 1vpx h GLU 149 Cb 0.30 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1vpx h GLU 149 CO -0.32 0.22 0.07 0.82 -1.18 0.00 0.00 179.01 178.62 1vpx h ILE 150 N 0.24 1.26 -0.63 2.32 2.04 -0.91 -1.75 117.51 120.09 1vpx h ILE 150 Ca 0.07 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.82 1vpx h ILE 150 Cb 0.02 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1vpx h ILE 150 CO -0.01 0.38 0.11 1.88 0.00 0.00 0.00 178.15 180.51 1vpx h TYR 151 N 0.93 1.07 -0.73 1.37 -1.99 -0.55 -2.33 116.97 114.74 1vpx h TYR 151 Ca 0.18 -0.14 -0.06 0.00 2.00 0.00 0.00 58.73 60.71 1vpx h TYR 151 Cb 0.46 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 38.86 1vpx h TYR 151 CO 0.03 0.90 0.22 -0.91 -0.00 0.00 0.00 178.16 178.40 1vpx h ASN 152 N 0.96 1.07 -0.77 3.88 2.35 -0.71 0.62 115.58 122.98 1vpx h ASN 152 Ca 0.19 -0.21 0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1vpx h ASN 152 Cb 0.41 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1vpx h ASN 152 CO 0.01 1.00 0.51 0.78 -1.65 0.00 0.00 177.43 178.08 1vpx h ASN 153 N 1.08 0.79 -0.00 5.81 2.35 -0.79 -3.22 115.58 121.60 1vpx h ASN 153 Ca 0.23 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1vpx h ASN 153 Cb 0.32 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1vpx h ASN 153 CO -0.01 0.54 -0.20 -1.22 -1.65 0.00 0.00 177.43 174.89 1vpx n TYR 154 N -4.46 0.00 -3.98 1.19 4.01 -1.02 -5.02 117.16 107.89 1vpx n TYR 154 Ca 0.10 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.54 1vpx n TYR 154 Cb 0.14 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.18 1vpx n TYR 154 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vpx n GLY 155 N 0.88 -0.41 3.68 2.72 0.00 0.20 -4.93 105.19 107.33 1vpx n GLY 155 Ca 0.03 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1vpx n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vpx n PHE 156 N -4.51 1.97 0.20 1.61 3.72 -1.23 -4.89 117.46 114.34 1vpx n PHE 156 Ca -0.05 0.54 0.07 0.00 -0.05 0.00 0.00 57.45 57.95 1vpx n PHE 156 Cb 0.56 -2.36 0.40 0.00 -0.94 0.00 0.00 39.48 37.14 1vpx n PHE 156 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1vpx h GLU 157 N 2.13 0.00 -6.41 -1.08 5.08 -1.91 -3.45 114.58 108.95 1vpx h GLU 157 Ca -0.46 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.27 1vpx h GLU 157 Cb 1.30 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.62 1vpx h GLU 157 CO 0.60 0.33 0.51 2.41 -1.00 0.00 0.00 179.01 181.86 1vpx n THR 158 N -3.58 0.47 -3.89 1.13 -1.04 -1.26 -4.97 114.28 101.15 1vpx n THR 158 Ca -0.01 -0.12 -0.35 0.00 -2.04 0.00 0.00 64.05 61.53 1vpx n THR 158 Cb 0.46 -1.12 -0.05 0.00 -1.82 0.00 0.00 70.33 67.79 1vpx n THR 158 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1vpx s GLU 159 N 0.13 3.44 -0.23 -2.82 2.02 -0.29 -4.93 118.70 116.02 1vpx s GLU 159 Ca 0.76 -0.20 -0.16 0.00 0.02 0.00 0.00 54.97 55.39 1vpx s GLU 159 Cb -0.80 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 1vpx s GLU 159 CO 0.47 0.74 0.41 0.42 0.02 0.00 0.00 175.26 177.31 1vpx s ILE 160 N -1.15 5.18 -0.45 -1.63 1.01 -1.26 -1.09 121.20 121.80 1vpx s ILE 160 Ca 0.20 0.69 -0.13 0.00 0.00 0.00 0.00 60.65 61.41 1vpx s ILE 160 Cb -0.12 -3.73 0.08 0.00 0.01 0.00 0.00 42.46 38.69 1vpx s ILE 160 CO 0.10 0.20 0.34 -0.63 0.00 0.00 0.00 174.94 174.96 1vpx s ILE 161 N 1.65 4.80 -0.10 2.92 1.01 0.89 -1.10 121.20 131.27 1vpx s ILE 161 Ca 0.18 -1.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.31 1vpx s ILE 161 Cb -0.15 -3.91 -0.07 0.00 0.01 0.00 0.00 42.46 38.34 1vpx s ILE 161 CO 0.09 -0.56 2.07 0.00 0.00 0.00 0.00 174.94 176.53 1vpx s ALA 162 N 1.55 3.15 0.46 9.38 0.00 0.09 -3.37 121.76 133.02 1vpx s ALA 162 Ca 0.04 1.02 0.04 0.00 0.00 0.00 0.00 51.96 53.05 1vpx s ALA 162 Cb -0.24 -3.96 -0.04 0.00 0.00 0.00 0.00 23.12 18.88 1vpx s ALA 162 CO 0.04 -2.19 0.04 0.00 0.00 0.00 0.00 175.76 173.65 1vpx s ALA 163 N 6.38 3.69 -1.35 0.00 0.00 -0.61 -1.79 121.76 128.07 1vpx s ALA 163 Ca 0.93 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 1vpx s ALA 163 Cb -0.37 0.02 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1vpx s ALA 163 CO 0.38 -0.09 0.97 0.45 0.00 0.00 0.00 175.76 177.47 1vpx n SER 164 N -1.16 -3.68 -4.68 0.00 2.88 -1.26 -1.61 113.62 104.12 1vpx n SER 164 Ca -0.11 -0.69 -0.40 0.00 -1.33 0.00 0.00 58.87 56.35 1vpx n SER 164 Cb 0.67 -4.54 -0.06 0.00 -0.75 0.00 0.00 64.21 59.53 1vpx n SER 164 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1vpx s ILE 165 N -3.41 5.05 -0.01 2.46 -1.09 -1.26 -0.75 121.20 122.18 1vpx s ILE 165 Ca 0.32 1.18 0.05 0.00 -2.23 0.00 0.00 60.65 59.97 1vpx s ILE 165 Cb -0.15 -3.94 -0.07 0.00 -1.58 0.00 0.00 42.46 36.72 1vpx s ILE 165 CO 0.77 0.16 0.10 0.54 -1.23 0.00 0.00 174.94 175.29 1vpx n ARG 166 N 4.67 0.36 -3.69 2.79 5.12 -1.26 -4.42 116.66 120.24 1vpx n ARG 166 Ca -0.02 -0.04 -0.09 0.00 -1.93 0.00 0.00 57.85 55.77 1vpx n ARG 166 Cb 0.50 -1.11 -0.02 0.00 -1.16 0.00 0.00 32.46 30.67 1vpx n ARG 166 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1vpx s HIS 167 N -2.31 -0.31 0.39 -1.55 -3.43 -1.26 -4.93 115.29 101.89 1vpx s HIS 167 Ca -0.02 -0.04 0.16 0.00 -0.80 0.00 0.00 55.06 54.36 1vpx s HIS 167 Cb 0.03 0.62 1.03 0.00 -1.43 0.00 0.00 32.58 32.83 1vpx s HIS 167 CO 0.20 -1.06 1.82 -1.35 -2.00 0.00 0.00 174.74 172.34 1vpx h PRO 168 N 2.02 0.46 0.00 -0.38 0.11 -1.98 -2.46 132.00 129.76 1vpx h PRO 168 Ca -0.26 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 1vpx h PRO 168 Cb 1.27 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1vpx h PRO 168 CO 0.30 0.30 -0.53 0.52 -0.21 0.00 0.00 178.00 178.38 1vpx h MET 169 N 0.47 0.00 -0.59 1.05 2.86 -1.98 -1.77 114.93 114.97 1vpx h MET 169 Ca 0.53 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.21 1vpx h MET 169 Cb 1.23 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.84 1vpx h MET 169 CO -0.25 0.53 0.33 0.45 1.06 0.00 0.00 176.91 179.03 1vpx h HIS 170 N 0.00 0.61 -0.20 -0.22 3.86 -1.86 -0.02 115.15 117.31 1vpx h HIS 170 Ca -0.01 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1vpx h HIS 170 Cb 1.01 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 1vpx h HIS 170 CO 0.00 0.31 0.04 0.28 0.86 0.00 0.00 177.93 179.42 1vpx h VAL 171 N 0.63 1.22 -0.36 2.45 2.07 -1.39 -1.39 116.25 119.47 1vpx h VAL 171 Ca 0.26 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 1vpx h VAL 171 Cb 0.13 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1vpx h VAL 171 CO -0.15 0.22 -0.14 0.58 0.02 0.00 0.00 177.57 178.10 1vpx h VAL 172 N 0.14 1.28 -0.65 2.57 2.07 -1.23 -0.67 116.25 119.77 1vpx h VAL 172 Ca 0.06 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.27 1vpx h VAL 172 Cb 0.29 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1vpx h VAL 172 CO 0.00 0.41 0.11 -0.33 0.02 0.00 0.00 177.57 177.78 1vpx h GLU 173 N 0.52 1.06 -0.76 1.57 5.08 -1.03 0.11 114.58 121.12 1vpx h GLU 173 Ca 0.09 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1vpx h GLU 173 Cb 0.66 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1vpx h GLU 173 CO 0.05 0.97 0.40 0.00 -1.00 0.00 0.00 179.01 179.42 1vpx h ALA 174 N 1.11 0.98 -0.48 3.43 0.00 -1.00 -2.10 119.26 121.21 1vpx h ALA 174 Ca 0.20 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1vpx h ALA 174 Cb 0.42 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1vpx h ALA 174 CO 0.01 0.52 -0.08 0.00 0.00 0.00 0.00 179.25 179.70 1vpx h ALA 175 N 1.20 0.66 -0.36 0.00 0.00 -0.81 -1.74 119.26 118.21 1vpx h ALA 175 Ca 0.27 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1vpx h ALA 175 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1vpx h ALA 175 CO -0.04 0.53 0.09 -0.07 0.00 0.00 0.00 179.25 179.76 1vpx h LEU 176 N 0.75 0.48 -0.23 0.00 3.38 -0.76 -1.69 115.31 117.24 1vpx h LEU 176 Ca 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1vpx h LEU 176 Cb 0.62 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1vpx h LEU 176 CO 0.04 0.49 -0.15 1.15 0.09 0.00 0.00 178.44 180.06 1vpx n MET 177 N -4.34 0.61 -2.65 1.13 0.00 -0.81 -4.96 117.12 106.09 1vpx n MET 177 Ca 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 57.70 57.45 1vpx n MET 177 Cb 0.18 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 31.92 1vpx n MET 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vpx n GLY 178 N 1.32 0.66 3.72 3.17 0.00 -0.64 -4.98 105.19 108.44 1vpx n GLY 178 Ca 0.13 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1vpx n GLY 178 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vpx s VAL 179 N -3.00 2.15 0.02 1.61 -7.23 -0.75 -4.94 120.40 108.27 1vpx s VAL 179 Ca 0.10 0.08 -0.20 0.00 -1.81 0.00 0.00 61.98 60.15 1vpx s VAL 179 Cb -0.04 -2.70 -0.19 0.00 0.56 0.00 0.00 36.38 34.01 1vpx s VAL 179 CO 0.12 -0.04 1.21 0.44 -0.31 0.00 0.00 175.10 176.52 1vpx h ASP 180 N -0.26 0.49 -3.92 4.85 3.32 -1.90 -3.46 116.42 115.55 1vpx h ASP 180 Ca -0.48 -0.64 -0.20 0.00 0.02 0.00 0.00 57.03 55.72 1vpx h ASP 180 Cb 1.31 -0.15 -0.26 0.00 0.22 0.00 0.00 39.33 40.45 1vpx h ASP 180 CO 0.49 1.06 -0.64 -0.63 -1.72 0.00 0.00 179.24 177.81 1vpx s ILE 181 N -3.67 0.01 -0.12 0.35 1.01 -0.26 -1.60 121.20 116.93 1vpx s ILE 181 Ca -0.14 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1vpx s ILE 181 Cb 0.04 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.38 1vpx s ILE 181 CO 0.80 -0.06 -0.23 -0.69 0.00 0.00 0.00 174.94 174.76 1vpx s VAL 182 N -0.16 2.05 -0.14 2.92 1.01 -0.52 -0.73 120.40 124.83 1vpx s VAL 182 Ca -0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1vpx s VAL 182 Cb -0.02 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1vpx s VAL 182 CO 0.00 0.55 -0.05 0.28 0.00 0.00 0.00 175.10 175.88 1vpx s THR 183 N 0.63 3.79 0.04 3.92 -1.32 -0.74 -1.10 115.64 120.87 1vpx s THR 183 Ca -0.12 -0.40 -0.12 0.00 -1.21 0.00 0.00 61.69 59.84 1vpx s THR 183 Cb -0.16 -2.63 0.01 0.00 -1.51 0.00 0.00 72.50 68.20 1vpx s THR 183 CO 0.02 0.52 0.26 0.00 -2.21 0.00 0.00 174.62 173.21 1vpx s MET 184 N 0.13 0.77 0.64 7.08 0.23 -0.66 -4.24 119.30 123.25 1vpx s MET 184 Ca -0.02 -0.56 -0.17 0.00 -1.03 0.00 0.00 55.69 53.91 1vpx s MET 184 Cb -0.14 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.48 1vpx s MET 184 CO 0.03 -0.24 1.19 -2.14 -2.03 0.00 0.00 175.02 171.83 1vpx s PRO 185 N -2.57 2.71 0.25 3.16 0.02 -1.26 -1.09 135.00 136.22 1vpx s PRO 185 Ca -0.05 1.73 -0.04 0.00 0.02 0.00 0.00 61.00 62.67 1vpx s PRO 185 Cb -0.01 -1.91 0.39 0.00 0.02 0.00 0.00 34.50 33.00 1vpx s PRO 185 CO -0.04 -1.39 1.85 0.35 -0.33 0.00 0.00 177.00 177.44 1vpx h PHE 186 N 0.41 1.04 -0.98 6.54 3.57 -1.96 -0.62 116.94 124.94 1vpx h PHE 186 Ca -0.49 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.19 1vpx h PHE 186 Cb 1.29 -0.33 -0.09 0.00 2.79 0.00 0.00 35.95 39.60 1vpx h PHE 186 CO 0.48 0.50 0.60 0.00 -2.23 0.00 0.00 178.31 177.66 1vpx h ALA 187 N 1.44 1.54 -0.30 2.41 0.00 -1.97 0.46 119.26 122.85 1vpx h ALA 187 Ca 0.41 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.19 1vpx h ALA 187 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1vpx h ALA 187 CO -0.20 0.08 -0.54 0.28 0.00 0.00 0.00 179.25 178.87 1vpx h VAL 188 N 0.85 1.27 -0.34 0.00 2.07 -1.49 -2.68 116.25 115.94 1vpx h VAL 188 Ca 0.52 -1.72 0.05 0.00 0.82 0.00 0.00 66.70 66.37 1vpx h VAL 188 Cb 0.67 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1vpx h VAL 188 CO -0.32 0.56 0.07 0.25 0.02 0.00 0.00 177.57 178.15 1vpx h LEU 189 N 0.68 0.01 -0.84 2.57 5.85 -0.70 -2.42 115.31 120.45 1vpx h LEU 189 Ca 0.02 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.90 1vpx h LEU 189 Cb 1.15 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 1vpx h LEU 189 CO 0.12 0.04 0.48 -0.33 -0.34 0.00 0.00 178.44 178.41 1vpx h GLU 190 N 0.18 0.76 -0.93 1.25 5.08 -0.88 -1.82 114.58 118.22 1vpx h GLU 190 Ca 0.16 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1vpx h GLU 190 Cb 0.18 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 1vpx h GLU 190 CO -0.21 0.50 0.61 0.87 -1.00 0.00 0.00 179.01 179.78 1vpx h LYS 191 N 0.78 1.04 -0.02 2.33 1.57 -1.09 -2.83 116.57 118.36 1vpx h LYS 191 Ca 0.42 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1vpx h LYS 191 Cb 0.42 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1vpx h LYS 191 CO -0.27 0.69 0.02 -0.07 -0.57 0.00 0.00 179.45 179.25 1vpx h LEU 192 N 1.07 0.00 -1.36 2.94 3.38 -1.00 -0.67 115.31 119.67 1vpx h LEU 192 Ca 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 1vpx h LEU 192 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1vpx h LEU 192 CO -0.15 0.00 -0.29 -0.26 0.09 0.00 0.00 178.44 177.83 1vpx h PHE 193 N 0.00 0.00 -3.10 1.13 -1.00 -1.56 -3.47 116.94 108.94 1vpx h PHE 193 Ca 0.01 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.19 1vpx h PHE 193 Cb 0.04 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.55 1vpx h PHE 193 CO 0.00 0.29 -0.19 0.15 -1.61 0.00 0.00 178.31 176.95 1vpx s LYS 194 N -4.04 3.89 -0.24 1.51 1.02 -0.26 -5.08 119.74 116.54 1vpx s LYS 194 Ca -0.02 0.36 -0.19 0.00 0.02 0.00 0.00 55.97 56.15 1vpx s LYS 194 Cb 0.13 -3.11 0.07 0.00 -0.52 0.00 0.00 37.83 34.40 1vpx s LYS 194 CO 0.67 0.61 0.62 -1.58 -0.92 0.00 0.00 175.35 174.76 1vpx s HIS 195 N -1.24 -0.79 0.43 3.18 2.46 -1.26 -5.03 115.29 113.03 1vpx s HIS 195 Ca 0.29 1.78 0.13 0.00 0.47 0.00 0.00 55.06 57.73 1vpx s HIS 195 Cb -0.16 0.36 1.01 0.00 -0.13 0.00 0.00 32.58 33.67 1vpx s HIS 195 CO 0.16 -0.39 1.97 -1.35 -2.47 0.00 0.00 174.74 172.66 1vpx h PRO 196 N 5.92 0.42 -0.00 2.88 0.10 -1.99 -2.02 132.00 137.30 1vpx h PRO 196 Ca -0.30 -0.03 -0.15 0.00 0.10 0.00 0.00 66.00 65.63 1vpx h PRO 196 Cb 1.19 -0.09 -0.02 0.00 0.10 0.00 0.00 31.00 32.17 1vpx h PRO 196 CO 0.14 0.28 -0.69 0.52 0.10 0.00 0.00 178.00 178.36 1vpx h MET 197 N 0.43 0.03 -0.52 1.05 2.86 -1.99 -1.56 114.93 115.23 1vpx h MET 197 Ca 0.29 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.87 1vpx h MET 197 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1vpx h MET 197 CO -0.08 0.70 0.19 1.15 1.06 0.00 0.00 176.91 179.93 1vpx h THR 198 N 0.02 1.22 -0.60 2.22 2.02 -1.78 -0.53 112.91 115.48 1vpx h THR 198 Ca -0.01 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.36 1vpx h THR 198 Cb 1.22 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1vpx h THR 198 CO 0.09 0.27 0.02 0.44 0.37 0.00 0.00 175.52 176.71 1vpx h ASP 199 N 0.70 1.01 -0.32 4.18 3.32 -1.23 -1.22 116.42 122.87 1vpx h ASP 199 Ca 0.17 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1vpx h ASP 199 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1vpx h ASP 199 CO -0.01 1.05 0.10 -0.07 -1.72 0.00 0.00 179.24 178.59 1vpx h LEU 200 N 0.95 0.46 -0.74 1.55 3.38 -1.27 -2.13 115.31 117.51 1vpx h LEU 200 Ca 0.17 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1vpx h LEU 200 Cb 0.52 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 1vpx h LEU 200 CO 0.03 0.54 0.37 1.23 0.09 0.00 0.00 178.44 180.70 1vpx h GLY 201 N 0.36 1.13 1.09 0.83 0.00 -0.82 0.01 103.07 105.66 1vpx h GLY 201 Ca 0.10 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1vpx h GLY 201 CO -0.00 0.05 0.08 -2.22 0.00 0.00 0.00 176.54 174.45 1vpx h ILE 202 N 0.62 1.26 -0.24 2.60 2.04 -1.08 -2.42 117.51 120.30 1vpx h ILE 202 Ca 0.37 -1.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.05 1vpx h ILE 202 Cb 0.40 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1vpx h ILE 202 CO -0.28 0.40 -0.31 -0.33 0.00 0.00 0.00 178.15 177.63 1vpx h GLU 203 N 1.02 0.49 -2.00 2.37 5.08 -0.69 -2.37 114.58 118.48 1vpx h GLU 203 Ca 0.20 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1vpx h GLU 203 Cb 0.47 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1vpx h GLU 203 CO 0.02 0.75 0.00 -2.13 -1.00 0.00 0.00 179.01 176.64 1vpx n ARG 204 N -4.09 0.00 0.21 2.33 3.00 -0.07 -1.42 116.66 116.62 1vpx n ARG 204 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1vpx n ARG 204 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.40 1vpx n ARG 204 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1vpx n PHE 205 N 1.13 -4.25 0.05 -0.14 7.35 -1.17 -4.84 117.46 115.60 1vpx n PHE 205 Ca 0.00 1.34 -0.11 0.00 -0.76 0.00 0.00 57.45 57.92 1vpx n PHE 205 Cb 0.00 3.30 -0.05 0.00 0.35 0.00 0.00 39.48 43.09 1vpx n PHE 205 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 1vpx h MET 206 N 0.00 -0.17 -0.09 -4.13 2.86 -0.83 -3.11 114.93 109.46 1vpx h MET 206 Ca 0.00 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1vpx h MET 206 Cb 0.00 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1vpx h MET 206 CO 0.00 -0.12 0.26 1.05 1.06 0.00 0.00 176.91 179.17 1vpx h GLU 207 N -0.18 0.00 0.00 1.72 9.09 -1.53 -3.51 114.58 120.17 1vpx h GLU 207 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 1vpx h GLU 207 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 1vpx h GLU 207 CO -0.11 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.70