#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfu s LYS 5 N 0.00 3.93 -0.27 0.00 1.02 -1.26 -4.79 119.74 118.37 1pfu s LYS 5 Ca 0.00 1.18 -0.07 0.00 0.02 0.00 0.00 55.97 57.10 1pfu s LYS 5 Cb 0.00 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1pfu s LYS 5 CO 0.00 -0.29 0.06 0.15 -0.92 0.00 0.00 175.35 174.35 1pfu s LYS 6 N -3.46 3.32 -0.05 1.68 1.02 -1.26 0.06 119.74 121.05 1pfu s LYS 6 Ca 0.63 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.96 1pfu s LYS 6 Cb -0.12 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 1pfu s LYS 6 CO 0.21 -0.33 -0.14 0.42 -0.92 0.00 0.00 175.35 174.60 1pfu s ILE 7 N 1.54 1.23 -0.20 2.17 1.01 0.92 -0.84 121.20 127.03 1pfu s ILE 7 Ca 0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1pfu s ILE 7 Cb -0.16 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.23 1pfu s ILE 7 CO 0.02 0.37 -0.14 -0.22 0.00 0.00 0.00 174.94 174.97 1pfu s LEU 8 N 0.35 2.45 -0.01 2.97 0.20 0.07 -0.38 118.68 124.32 1pfu s LEU 8 Ca -0.09 -0.59 0.07 0.00 0.69 0.00 0.00 54.13 54.21 1pfu s LEU 8 Cb -0.13 -1.57 -0.02 0.00 -0.43 0.00 0.00 46.19 44.03 1pfu s LEU 8 CO 0.03 -0.02 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.16 1pfu s VAL 9 N 1.35 2.35 0.22 1.68 1.01 0.09 -1.22 120.40 125.88 1pfu s VAL 9 Ca 0.05 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1pfu s VAL 9 Cb -0.14 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1pfu s VAL 9 CO -0.09 0.54 0.00 0.42 0.00 0.00 0.00 175.10 175.97 1pfu s THR 10 N -0.68 0.95 0.20 3.92 -4.23 -0.69 -0.37 115.64 114.73 1pfu s THR 10 Ca 0.11 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 58.68 1pfu s THR 10 Cb -0.10 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1pfu s THR 10 CO 0.00 -0.34 -0.17 0.00 -0.54 0.00 0.00 174.62 173.57 1pfu s ALA 12 N -2.45 2.74 -0.28 0.00 0.00 -1.12 -4.82 121.76 115.83 1pfu s ALA 12 Ca 0.20 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 53.14 1pfu s ALA 12 Cb -0.04 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1pfu s ALA 12 CO 0.08 -1.35 1.07 -0.51 0.00 0.00 0.00 175.76 175.05 1pfu s LEU 13 N -3.67 4.01 0.31 0.00 1.43 -1.26 -4.86 118.68 114.64 1pfu s LEU 13 Ca 0.73 1.21 -0.29 0.00 -1.03 0.00 0.00 54.13 54.76 1pfu s LEU 13 Cb -0.38 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.19 1pfu s LEU 13 CO 0.44 -0.79 1.39 -2.84 0.23 0.00 0.00 176.35 174.78 1pfu s PRO 14 N 3.46 4.27 0.31 1.29 0.02 -1.22 -4.31 135.00 138.82 1pfu s PRO 14 Ca 0.45 2.32 -0.29 0.00 0.02 0.00 0.00 61.00 63.51 1pfu s PRO 14 Cb -0.14 -3.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.22 1pfu s PRO 14 CO 0.11 -0.34 1.29 -0.47 -0.33 0.00 0.00 177.00 177.26 1pfu s TYR 15 N -0.77 3.14 -2.00 6.54 6.04 -1.26 -0.35 117.35 128.69 1pfu s TYR 15 Ca 0.53 1.42 0.21 0.00 0.04 0.00 0.00 57.07 59.27 1pfu s TYR 15 Cb -0.42 -3.63 1.26 0.00 -1.04 0.00 0.00 41.96 38.13 1pfu s TYR 15 CO 0.52 -1.72 1.67 0.00 -1.54 0.00 0.00 175.55 174.48 1pfu n ALA 16 N 1.10 2.38 -1.22 3.97 0.00 -0.55 -3.60 120.51 122.59 1pfu n ALA 16 Ca 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 1pfu n ALA 16 Cb 0.42 -1.34 0.23 0.00 0.00 0.00 0.00 19.45 18.76 1pfu n ALA 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pfu n ASN 17 N -0.94 3.55 -3.51 0.00 6.94 -1.26 -4.79 115.26 115.25 1pfu n ASN 17 Ca 0.16 -3.46 -0.17 0.00 -0.02 0.00 0.00 54.58 51.10 1pfu n ASN 17 Cb 0.07 -0.68 -0.05 0.00 -2.36 0.00 0.00 39.78 36.76 1pfu n ASN 17 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1pfu s GLY 18 N -1.85 -0.57 0.57 4.83 0.00 -1.24 -5.11 107.32 103.95 1pfu s GLY 18 Ca 0.49 1.10 -0.15 0.00 0.00 0.00 0.00 44.72 46.15 1pfu s GLY 18 CO 0.07 0.75 1.03 -0.56 0.00 0.00 0.00 173.10 174.39 1pfu s SER 19 N -1.53 6.11 0.14 1.64 0.01 -1.26 -4.90 113.70 113.90 1pfu s SER 19 Ca -0.08 1.68 -0.30 0.00 1.31 0.00 0.00 55.95 58.55 1pfu s SER 19 Cb -0.00 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.64 1pfu s SER 19 CO 0.05 -0.94 1.22 -0.63 0.41 0.00 0.00 173.24 173.35 1pfu s ILE 20 N -2.61 3.68 0.44 1.44 -1.09 -1.26 -4.98 121.20 116.83 1pfu s ILE 20 Ca 0.61 1.31 0.01 0.00 -2.23 0.00 0.00 60.65 60.35 1pfu s ILE 20 Cb -0.13 -3.84 -0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1pfu s ILE 20 CO 0.37 0.16 0.03 0.00 -1.23 0.00 0.00 174.94 174.28 1pfu n HIS 21 N 3.13 0.85 0.31 3.97 1.44 -1.26 -0.77 115.22 122.89 1pfu n HIS 21 Ca 0.07 -2.33 0.18 0.00 -2.01 0.00 0.00 57.72 53.64 1pfu n HIS 21 Cb 0.45 -0.23 1.04 0.00 0.12 0.00 0.00 29.99 31.36 1pfu n HIS 21 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1pfu h LEU 22 N 0.00 0.00 -0.08 2.39 3.38 -1.51 -2.15 115.31 117.34 1pfu h LEU 22 Ca -0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1pfu h LEU 22 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1pfu h LEU 22 CO 0.60 0.01 -0.00 1.23 0.09 0.00 0.00 178.44 180.36 1pfu h GLY 23 N 0.12 0.16 0.91 0.83 0.00 -1.94 -2.50 103.07 100.65 1pfu h GLY 23 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1pfu h GLY 23 CO 0.00 0.11 0.16 0.45 0.00 0.00 0.00 176.54 177.26 1pfu h HIS 24 N -0.14 0.30 -0.31 5.60 3.86 -1.81 -2.83 115.15 119.82 1pfu h HIS 24 Ca 0.02 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.31 1pfu h HIS 24 Cb 0.36 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1pfu h HIS 24 CO 0.04 0.17 0.21 0.52 0.86 0.00 0.00 177.93 179.73 1pfu h MET 25 N 0.33 0.10 -0.47 2.45 2.07 -1.33 -1.73 114.93 116.36 1pfu h MET 25 Ca 0.12 -0.01 0.02 0.00 -2.07 0.00 0.00 59.70 57.76 1pfu h MET 25 Cb 0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.69 1pfu h MET 25 CO -0.07 0.07 0.29 1.25 1.07 0.00 0.00 176.91 179.52 1pfu h LEU 26 N 0.10 0.48 -0.10 1.22 5.85 -1.18 -0.50 115.31 121.18 1pfu h LEU 26 Ca 0.14 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1pfu h LEU 26 Cb 0.43 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1pfu h LEU 26 CO -0.02 0.35 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.33 1pfu h GLU 27 N 0.59 0.19 -0.26 1.25 4.81 -1.41 -1.54 114.58 118.22 1pfu h GLU 27 Ca 0.18 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1pfu h GLU 27 Cb -0.02 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1pfu h GLU 27 CO -0.07 0.51 -0.23 0.45 -0.73 0.00 0.00 179.01 178.94 1pfu h HIS 28 N -0.13 0.54 -0.23 0.92 3.86 -1.38 -1.85 115.15 116.88 1pfu h HIS 28 Ca 0.03 -0.11 -0.18 0.00 -1.16 0.00 0.00 60.37 58.95 1pfu h HIS 28 Cb 0.44 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1pfu h HIS 28 CO 0.05 0.68 -0.54 0.82 0.86 0.00 0.00 177.93 179.80 1pfu h ILE 29 N 0.43 1.29 -0.16 2.45 2.04 -1.11 -1.18 117.51 121.27 1pfu h ILE 29 Ca 0.07 -1.75 0.01 0.00 1.00 0.00 0.00 64.86 64.19 1pfu h ILE 29 Cb 0.64 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1pfu h ILE 29 CO 0.05 0.56 0.06 -0.61 0.00 0.00 0.00 178.15 178.21 1pfu h GLN 30 N 0.51 0.15 -0.68 2.37 4.15 -1.02 -1.56 115.11 119.02 1pfu h GLN 30 Ca -0.00 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 1pfu h GLN 30 Cb 1.16 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.79 1pfu h GLN 30 CO 0.12 0.10 0.14 0.00 -1.93 0.00 0.00 178.83 177.25 1pfu h ALA 31 N 1.09 0.96 -0.54 3.38 0.00 -1.37 -2.77 119.26 120.02 1pfu h ALA 31 Ca 0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1pfu h ALA 31 Cb 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1pfu h ALA 31 CO -0.06 0.66 0.14 0.22 0.00 0.00 0.00 179.25 180.21 1pfu h ASP 32 N 1.04 0.76 -0.24 0.00 3.58 -0.85 0.22 116.42 120.93 1pfu h ASP 32 Ca 0.21 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 1pfu h ASP 32 Cb 0.40 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1pfu h ASP 32 CO 0.01 0.74 0.06 0.58 -2.88 0.00 0.00 179.24 177.75 1pfu h VAL 33 N 0.79 1.21 -0.54 2.25 2.07 -1.16 -0.28 116.25 120.59 1pfu h VAL 33 Ca 0.18 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1pfu h VAL 33 Cb 0.28 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1pfu h VAL 33 CO -0.00 0.21 0.28 -0.25 0.02 0.00 0.00 177.57 177.83 1pfu h TRP 34 N 0.22 0.76 -0.28 1.57 7.01 -1.19 -1.73 115.95 122.31 1pfu h TRP 34 Ca 0.08 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1pfu h TRP 34 Cb 0.27 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1pfu h TRP 34 CO 0.01 0.57 0.12 0.28 -2.79 0.00 0.00 178.44 176.64 1pfu h VAL 35 N 0.73 1.16 -0.59 2.65 2.07 -0.84 -1.05 116.25 120.37 1pfu h VAL 35 Ca 0.19 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1pfu h VAL 35 Cb 0.08 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1pfu h VAL 35 CO -0.03 0.16 0.23 0.03 0.02 0.00 0.00 177.57 177.99 1pfu h ARG 36 N 0.31 0.86 -0.44 1.57 3.08 -0.90 -1.31 114.38 117.55 1pfu h ARG 36 Ca 0.09 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1pfu h ARG 36 Cb 0.14 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1pfu h ARG 36 CO -0.01 0.71 0.06 -0.92 -1.07 0.00 0.00 179.97 178.74 1pfu h TYR 37 N 0.85 0.78 -0.86 3.04 3.20 -1.02 -1.80 116.97 121.17 1pfu h TYR 37 Ca 0.20 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1pfu h TYR 37 Cb 0.17 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 1pfu h TYR 37 CO 0.01 0.75 0.52 1.96 -1.64 0.00 0.00 178.16 179.76 1pfu h GLN 38 N 0.59 1.16 -0.48 1.82 1.08 -0.65 -1.67 115.11 116.95 1pfu h GLN 38 Ca 0.13 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 57.14 1pfu h GLN 38 Cb 0.39 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1pfu h GLN 38 CO 0.01 0.81 -0.07 0.00 -0.95 0.00 0.00 178.83 178.63 1pfu h ARG 39 N 1.18 0.85 0.00 1.46 3.08 -1.08 -2.61 114.38 117.26 1pfu h ARG 39 Ca 0.31 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1pfu h ARG 39 Cb -0.05 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1pfu h ARG 39 CO -0.06 0.90 -0.15 0.52 -1.07 0.00 0.00 179.97 180.11 1pfu h MET 40 N 0.77 0.00 -0.17 0.04 2.86 -0.43 -1.27 114.93 116.72 1pfu h MET 40 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1pfu h MET 40 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1pfu h MET 40 CO 0.03 0.15 0.00 0.54 1.06 0.00 0.00 176.91 178.69 1pfu n ARG 41 N -4.20 1.51 -0.67 1.72 5.12 -0.85 -4.47 116.66 114.82 1pfu n ARG 41 Ca -0.02 -0.78 0.00 0.00 -1.93 0.00 0.00 57.85 55.11 1pfu n ARG 41 Cb 0.22 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 1pfu n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pfu n GLY 42 N 0.94 0.70 3.88 -0.13 0.00 -0.48 -5.04 105.19 105.05 1pfu n GLY 42 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1pfu n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pfu s HIS 43 N -2.29 3.57 -0.39 1.61 3.76 -1.12 -4.79 115.29 115.64 1pfu s HIS 43 Ca 0.00 1.19 -0.25 0.00 -0.15 0.00 0.00 55.06 55.86 1pfu s HIS 43 Cb 0.00 -2.74 0.02 0.00 1.11 0.00 0.00 32.58 30.97 1pfu s HIS 43 CO 0.00 -0.73 0.86 -2.00 -0.85 0.00 0.00 174.74 172.02 1pfu s GLU 44 N -5.16 3.72 -0.04 1.40 2.12 0.11 -4.65 118.70 116.19 1pfu s GLU 44 Ca 0.55 0.35 0.07 0.00 0.36 0.00 0.00 54.97 56.30 1pfu s GLU 44 Cb -0.11 -3.84 -0.02 0.00 0.26 0.00 0.00 34.13 30.43 1pfu s GLU 44 CO 0.53 -0.98 -0.25 0.08 -0.54 0.00 0.00 175.26 174.10 1pfu s VAL 45 N 3.38 2.11 -0.30 3.70 1.01 -1.26 -0.06 120.40 128.98 1pfu s VAL 45 Ca 0.35 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1pfu s VAL 45 Cb -0.12 -1.74 0.09 0.00 0.00 0.00 0.00 36.38 34.60 1pfu s VAL 45 CO 0.20 0.58 0.03 0.20 0.00 0.00 0.00 175.10 176.11 1pfu s ASN 46 N -0.42 4.24 -0.42 3.32 0.01 0.49 -4.98 114.94 117.18 1pfu s ASN 46 Ca 0.04 -1.69 -0.19 0.00 -0.71 0.00 0.00 52.86 50.32 1pfu s ASN 46 Cb -0.12 -1.24 0.02 0.00 0.41 0.00 0.00 41.25 40.33 1pfu s ASN 46 CO 0.01 -0.35 0.55 0.12 -1.51 0.00 0.00 177.10 175.92 1pfu s PHE 47 N 1.29 3.12 0.03 2.20 5.36 -1.26 -0.73 117.98 127.99 1pfu s PHE 47 Ca 0.05 -0.15 0.09 0.00 -0.96 0.00 0.00 56.93 55.96 1pfu s PHE 47 Cb -0.18 -3.12 -0.03 0.00 -0.34 0.00 0.00 43.02 39.35 1pfu s PHE 47 CO -0.13 -0.77 -0.26 0.42 -1.46 0.00 0.00 175.22 173.02 1pfu s ILE 48 N 2.51 2.15 0.24 3.12 -1.09 0.50 0.11 121.20 128.74 1pfu s ILE 48 Ca 0.18 -1.32 -0.08 0.00 -2.23 0.00 0.00 60.65 57.20 1pfu s ILE 48 Cb -0.15 -1.82 0.03 0.00 -1.58 0.00 0.00 42.46 38.94 1pfu s ILE 48 CO 0.16 0.41 0.46 0.00 -1.23 0.00 0.00 174.94 174.74 1pfu n ALA 50 N -1.50 0.00 -2.21 0.00 0.00 -1.26 -1.62 120.51 113.92 1pfu n ALA 50 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1pfu n ALA 50 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1pfu n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pfu s ASP 51 N 0.00 7.06 -0.59 0.00 1.11 -1.01 -3.41 116.67 119.83 1pfu s ASP 51 Ca 0.00 1.31 -0.21 0.00 0.18 0.00 0.00 52.55 53.84 1pfu s ASP 51 Cb 0.00 -2.38 0.08 0.00 1.07 0.00 0.00 42.92 41.69 1pfu s ASP 51 CO 0.00 0.18 0.80 -0.62 1.18 0.00 0.00 175.17 176.71 1pfu s ASP 52 N -1.35 6.20 0.00 0.27 -1.08 0.52 -1.96 116.67 119.27 1pfu s ASP 52 Ca 0.35 -1.07 0.17 0.00 -0.52 0.00 0.00 52.55 51.48 1pfu s ASP 52 Cb -0.19 -2.35 0.44 0.00 -1.46 0.00 0.00 42.92 39.36 1pfu s ASP 52 CO 0.20 -1.19 1.36 0.00 0.52 0.00 0.00 175.17 176.06 1pfu n ALA 53 N 6.87 2.30 -2.40 3.66 0.00 -1.26 -1.48 120.51 128.20 1pfu n ALA 53 Ca -0.06 -1.16 -0.22 0.00 0.00 0.00 0.00 53.44 52.01 1pfu n ALA 53 Cb 0.44 -0.67 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 1pfu n ALA 53 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1pfu s HIS 54 N -1.05 2.76 0.00 0.00 3.76 -1.26 -4.93 115.29 114.57 1pfu s HIS 54 Ca 0.35 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1pfu s HIS 54 Cb 0.18 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.96 1pfu s HIS 54 CO 0.24 0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.65 1pfu n GLY 55 N -1.37 3.43 0.15 -2.22 0.00 -0.79 -4.78 105.19 99.60 1pfu n GLY 55 Ca -0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 1pfu n GLY 55 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pfu h THR 56 N 0.17 1.15 -0.59 2.61 2.02 -1.94 -1.99 112.91 114.34 1pfu h THR 56 Ca 0.00 -0.40 0.11 0.00 0.77 0.00 0.00 66.41 66.88 1pfu h THR 56 Cb 0.00 0.84 -0.08 0.00 -1.74 0.00 0.00 68.15 67.17 1pfu h THR 56 CO 0.00 0.15 0.14 -0.65 0.37 0.00 0.00 175.52 175.53 1pfu h PRO 57 N 0.37 0.27 -0.51 6.66 0.11 -1.99 0.20 132.00 137.12 1pfu h PRO 57 Ca 0.11 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1pfu h PRO 57 Cb 0.09 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1pfu h PRO 57 CO -0.02 0.18 0.22 0.82 -0.21 0.00 0.00 178.00 179.00 1pfu h ILE 58 N 0.28 1.21 -0.50 4.15 2.04 -1.83 -1.11 117.51 121.75 1pfu h ILE 58 Ca 0.31 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1pfu h ILE 58 Cb 0.44 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1pfu h ILE 58 CO -0.37 0.24 0.31 -0.03 0.00 0.00 0.00 178.15 178.29 1pfu h MET 59 N 0.68 0.60 -0.30 2.37 4.05 -0.47 -2.16 114.93 119.70 1pfu h MET 59 Ca 0.17 -0.04 -0.14 0.00 -0.28 0.00 0.00 59.70 59.42 1pfu h MET 59 Cb 0.16 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1pfu h MET 59 CO -0.02 0.40 -0.37 -0.07 0.23 0.00 0.00 176.91 177.08 1pfu h LEU 60 N 0.62 0.72 -0.26 3.39 3.38 -0.83 -2.60 115.31 119.72 1pfu h LEU 60 Ca 0.19 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1pfu h LEU 60 Cb -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1pfu h LEU 60 CO -0.07 1.01 0.09 0.50 0.09 0.00 0.00 178.44 180.06 1pfu h LYS 61 N 0.57 0.40 -0.87 1.13 3.64 -0.98 -1.75 116.57 118.71 1pfu h LYS 61 Ca 0.05 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1pfu h LYS 61 Cb 0.89 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.59 1pfu h LYS 61 CO 0.08 0.46 0.56 0.00 -2.27 0.00 0.00 179.45 178.28 1pfu h ALA 62 N 0.93 1.61 0.00 5.00 0.00 -1.34 -0.53 119.26 124.92 1pfu h ALA 62 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1pfu h ALA 62 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1pfu h ALA 62 CO -0.00 0.23 -0.39 1.96 0.00 0.00 0.00 179.25 181.05 1pfu h GLN 63 N 0.91 0.00 0.16 0.00 4.20 -1.02 -1.53 115.11 117.82 1pfu h GLN 63 Ca 0.39 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.83 1pfu h GLN 63 Cb 0.32 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.13 1pfu h GLN 63 CO -0.16 0.39 -1.17 1.96 -0.67 0.00 0.00 178.83 179.18 1pfu h GLN 64 N 0.00 0.51 0.00 1.46 4.20 -0.29 -3.21 115.11 117.78 1pfu h GLN 64 Ca -0.00 -0.76 0.00 0.00 0.06 0.00 0.00 58.65 57.94 1pfu h GLN 64 Cb 0.69 0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1pfu h GLN 64 CO 0.05 1.35 0.00 -0.07 -0.67 0.00 0.00 178.83 179.49 1pfu h LEU 65 N 0.06 0.00 -0.17 1.46 -0.00 -1.06 -3.46 115.31 112.13 1pfu h LEU 65 Ca -0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.65 1pfu h LEU 65 Cb 1.89 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.55 1pfu h LEU 65 CO 0.22 0.00 -0.05 0.61 -0.00 0.00 0.00 178.44 179.22 1pfu n GLY 66 N -0.10 0.48 3.15 0.83 0.00 -0.76 -5.06 105.19 103.74 1pfu n GLY 66 Ca 0.01 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 1pfu n GLY 66 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pfu s ILE 67 N -2.42 0.15 0.59 -0.61 -4.36 -0.65 -5.05 121.20 108.84 1pfu s ILE 67 Ca 0.02 -1.76 -0.18 0.00 -0.26 0.00 0.00 60.65 58.46 1pfu s ILE 67 Cb -0.01 -1.77 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 1pfu s ILE 67 CO 0.02 -0.66 1.15 0.42 0.24 0.00 0.00 174.94 176.11 1pfu s THR 68 N -3.98 2.99 0.40 8.37 -4.23 -1.26 -4.17 115.64 113.77 1pfu s THR 68 Ca 0.16 0.58 0.08 0.00 -1.18 0.00 0.00 61.69 61.33 1pfu s THR 68 Cb 0.07 -3.19 0.22 0.00 1.34 0.00 0.00 72.50 70.94 1pfu s THR 68 CO -0.04 -0.17 2.00 -0.65 -0.54 0.00 0.00 174.62 175.22 1pfu h PRO 69 N 0.83 0.41 -0.36 3.99 0.11 -1.91 -2.03 132.00 133.04 1pfu h PRO 69 Ca -0.49 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.57 1pfu h PRO 69 Cb 1.27 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1pfu h PRO 69 CO 0.56 0.36 0.23 0.93 -0.21 0.00 0.00 178.00 179.87 1pfu h GLU 70 N 0.41 0.46 -0.22 1.05 3.07 -1.98 0.37 114.58 117.74 1pfu h GLU 70 Ca 0.10 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1pfu h GLU 70 Cb 0.12 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1pfu h GLU 70 CO -0.01 0.30 0.07 0.37 -1.40 0.00 0.00 179.01 178.35 1pfu h GLN 71 N 0.47 0.33 -0.29 2.33 4.15 -1.79 -1.32 115.11 119.00 1pfu h GLN 71 Ca 0.13 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1pfu h GLN 71 Cb -0.04 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1pfu h GLN 71 CO -0.04 0.41 0.17 1.98 -1.93 0.00 0.00 178.83 179.43 1pfu h MET 72 N 0.18 0.35 0.00 1.69 4.05 -1.13 -1.54 114.93 118.53 1pfu h MET 72 Ca 0.07 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1pfu h MET 72 Cb 0.22 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 1pfu h MET 72 CO -0.00 0.23 -0.24 -0.84 0.23 0.00 0.00 176.91 176.29 1pfu h ILE 73 N 0.36 0.67 -0.38 1.77 3.07 -0.90 -1.63 117.51 120.48 1pfu h ILE 73 Ca 0.11 -1.05 -0.15 0.00 1.55 0.00 0.00 64.86 65.32 1pfu h ILE 73 Cb -0.02 1.68 -0.01 0.00 -0.27 0.00 0.00 36.82 38.20 1pfu h ILE 73 CO -0.04 0.23 -0.33 1.23 -1.05 0.00 0.00 178.15 178.19 1pfu h GLY 74 N 1.66 0.97 0.98 0.16 0.00 -0.60 -0.63 103.07 105.61 1pfu h GLY 74 Ca -0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 47.33 46.24 1pfu h GLY 74 CO 0.03 0.88 -0.27 0.83 0.00 0.00 0.00 176.54 178.01 1pfu h GLU 75 N 0.71 0.72 -0.16 4.80 5.08 -0.93 -2.60 114.58 122.20 1pfu h GLU 75 Ca 0.07 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 57.96 1pfu h GLU 75 Cb 0.92 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1pfu h GLU 75 CO 0.08 0.98 -0.36 0.52 -1.00 0.00 0.00 179.01 179.24 1pfu h MET 76 N 0.47 0.33 -0.60 2.33 2.86 -1.28 -1.48 114.93 117.57 1pfu h MET 76 Ca 0.05 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1pfu h MET 76 Cb 0.83 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1pfu h MET 76 CO 0.07 0.65 0.24 1.03 1.06 0.00 0.00 176.91 179.96 1pfu h SER 77 N 0.29 0.83 -0.50 1.22 0.87 -1.02 0.27 113.55 115.51 1pfu h SER 77 Ca 0.03 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.35 1pfu h SER 77 Cb 0.77 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1pfu h SER 77 CO 0.06 0.77 0.01 1.56 -0.53 0.00 0.00 176.83 178.71 1pfu h GLN 78 N 0.83 0.87 -0.17 2.24 1.08 -1.25 -1.74 115.11 116.98 1pfu h GLN 78 Ca 0.20 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1pfu h GLN 78 Cb 0.20 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1pfu h GLN 78 CO -0.02 0.90 0.11 1.49 -0.95 0.00 0.00 178.83 180.36 1pfu h GLU 79 N 0.73 0.22 -0.05 1.46 4.81 -0.90 -1.67 114.58 119.18 1pfu h GLU 79 Ca 0.14 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1pfu h GLU 79 Cb 0.50 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1pfu h GLU 79 CO 0.02 0.16 -0.03 0.45 -0.73 0.00 0.00 179.01 178.88 1pfu h HIS 80 N 0.22 -0.07 -0.15 0.92 3.86 -0.84 -2.37 115.15 116.72 1pfu h HIS 80 Ca 0.06 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 1pfu h HIS 80 Cb -0.01 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1pfu h HIS 80 CO -0.06 -0.05 -0.12 1.96 0.86 0.00 0.00 177.93 180.52 1pfu h GLN 81 N -0.04 0.23 -0.51 2.45 4.20 -1.21 -1.20 115.11 119.03 1pfu h GLN 81 Ca 0.03 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 1pfu h GLN 81 Cb 0.08 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1pfu h GLN 81 CO -0.07 0.36 0.02 1.15 -0.67 0.00 0.00 178.83 179.63 1pfu h THR 82 N 0.22 1.26 -0.18 -0.54 2.02 -1.05 -0.94 112.91 113.70 1pfu h THR 82 Ca 0.05 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 1pfu h THR 82 Cb 0.36 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1pfu h THR 82 CO 0.02 0.37 -0.00 0.44 0.37 0.00 0.00 175.52 176.72 1pfu h ASP 83 N 0.76 0.31 -0.52 4.18 3.45 -0.91 -2.19 116.42 121.51 1pfu h ASP 83 Ca 0.15 -0.31 -0.03 0.00 0.43 0.00 0.00 57.03 57.26 1pfu h ASP 83 Cb 0.49 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.15 1pfu h ASP 83 CO 0.02 0.55 0.22 -0.26 -1.57 0.00 0.00 179.24 178.20 1pfu h PHE 84 N 0.07 0.81 -0.30 4.55 0.05 -1.19 -2.06 116.94 118.88 1pfu h PHE 84 Ca 0.05 -0.04 -0.08 0.00 3.82 0.00 0.00 57.97 61.72 1pfu h PHE 84 Cb 0.39 -0.25 -0.02 0.00 2.00 0.00 0.00 35.95 38.07 1pfu h PHE 84 CO 0.04 0.63 -0.15 0.00 -0.18 0.00 0.00 178.31 178.65 1pfu h ALA 85 N 1.44 1.19 0.00 2.45 0.00 -1.07 -1.83 119.26 121.44 1pfu h ALA 85 Ca 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pfu h ALA 85 Cb 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pfu h ALA 85 CO -0.02 0.52 -0.01 0.78 0.00 0.00 0.00 179.25 180.52 1pfu h GLY 86 N 0.95 0.00 -2.12 0.00 0.00 -0.72 -0.94 103.07 100.24 1pfu h GLY 86 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1pfu h GLY 86 CO 0.03 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.26 1pfu n PHE 87 N -3.12 0.60 -3.65 5.60 3.01 -0.76 -4.60 117.46 114.54 1pfu n PHE 87 Ca -0.00 -0.35 -0.23 0.00 1.01 0.00 0.00 57.45 57.87 1pfu n PHE 87 Cb 0.25 -0.01 0.06 0.00 -0.01 0.00 0.00 39.48 39.78 1pfu n PHE 87 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pfu n ASN 88 N 1.29 -3.76 -4.62 4.37 3.02 -0.36 -4.94 115.26 110.26 1pfu n ASN 88 Ca 0.18 -0.68 -0.43 0.00 -0.03 0.00 0.00 54.58 53.63 1pfu n ASN 88 Cb 0.55 -4.58 -0.03 0.00 -0.61 0.00 0.00 39.78 35.11 1pfu n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pfu s ILE 89 N -3.41 4.55 0.00 2.41 -1.09 -0.78 -4.93 121.20 117.96 1pfu s ILE 89 Ca 0.33 1.43 -0.04 0.00 -2.23 0.00 0.00 60.65 60.13 1pfu s ILE 89 Cb -0.15 -4.37 -0.19 0.00 -1.58 0.00 0.00 42.46 36.17 1pfu s ILE 89 CO 0.77 -0.51 2.92 -1.54 -1.23 0.00 0.00 174.94 175.35 1pfu n SER 90 N 6.82 4.50 -4.70 3.58 3.41 -1.26 -4.74 113.62 121.23 1pfu n SER 90 Ca 0.09 -2.32 -0.40 0.00 -0.26 0.00 0.00 58.87 55.99 1pfu n SER 90 Cb 0.48 -1.17 0.03 0.00 -0.26 0.00 0.00 64.21 63.28 1pfu n SER 90 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1pfu n TYR 91 N 2.40 2.02 0.28 7.33 4.02 -1.26 -4.82 117.16 127.12 1pfu n TYR 91 Ca 0.30 0.47 0.12 0.00 -0.01 0.00 0.00 57.90 58.78 1pfu n TYR 91 Cb 0.72 -2.34 0.05 0.00 -0.02 0.00 0.00 39.34 37.76 1pfu n TYR 91 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1pfu h ASP 92 N 1.66 0.00 -3.08 7.72 3.32 -0.71 -3.47 116.42 121.87 1pfu h ASP 92 Ca -0.49 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 56.52 1pfu h ASP 92 Cb 1.31 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.61 1pfu h ASP 92 CO 0.58 0.05 0.33 0.21 -1.72 0.00 0.00 179.24 178.68 1pfu s ASN 93 N -4.93 -0.58 -0.27 6.45 3.04 -1.19 -5.02 114.94 112.45 1pfu s ASN 93 Ca 0.02 1.02 0.00 0.00 0.04 0.00 0.00 52.86 53.94 1pfu s ASN 93 Cb 0.11 1.13 0.08 0.00 -1.54 0.00 0.00 41.25 41.02 1pfu s ASN 93 CO 0.77 -0.17 0.02 -0.47 -3.04 0.00 0.00 177.10 174.21 1pfu s TYR 94 N 0.78 2.19 0.00 0.43 5.04 -1.26 -2.18 117.35 122.35 1pfu s TYR 94 Ca -0.03 -1.81 0.00 0.00 -2.44 0.00 0.00 57.07 52.80 1pfu s TYR 94 Cb -0.05 -1.74 0.00 0.00 0.35 0.00 0.00 41.96 40.52 1pfu s TYR 94 CO -0.10 -0.81 0.00 1.58 -1.34 0.00 0.00 175.55 174.88 1pfu n HIS 95 N 4.72 0.00 -3.70 4.97 -0.00 -0.64 -4.90 115.22 115.68 1pfu n HIS 95 Ca -0.06 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 57.98 1pfu n HIS 95 Cb 0.44 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.22 1pfu n HIS 95 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1pfu s SER 96 N -0.20 -0.35 0.30 0.26 0.15 -1.26 -2.40 113.70 110.19 1pfu s SER 96 Ca 0.00 0.39 0.26 0.00 0.70 0.00 0.00 55.95 57.30 1pfu s SER 96 Cb 0.00 0.48 0.93 0.00 -1.71 0.00 0.00 66.02 65.72 1pfu s SER 96 CO 0.00 -0.43 1.76 0.71 1.20 0.00 0.00 173.24 176.48 1pfu h THR 97 N 3.77 0.00 -3.49 6.45 1.35 -1.75 -3.33 112.91 115.91 1pfu h THR 97 Ca -0.29 -0.41 -0.79 0.00 -0.55 0.00 0.00 66.41 64.38 1pfu h THR 97 Cb 1.17 1.29 -0.26 0.00 -1.73 0.00 0.00 68.15 68.62 1pfu h THR 97 CO 0.36 0.00 0.42 -2.28 -0.25 0.00 0.00 175.52 173.77 1pfu s HIS 98 N -3.29 3.99 0.20 4.73 5.65 -1.26 -4.68 115.29 120.62 1pfu s HIS 98 Ca 0.06 -2.35 -0.18 0.00 0.25 0.00 0.00 55.06 52.85 1pfu s HIS 98 Cb 0.10 -3.89 0.03 0.00 -1.18 0.00 0.00 32.58 27.63 1pfu s HIS 98 CO 0.50 -1.03 0.53 -1.54 -0.65 0.00 0.00 174.74 172.56 1pfu s SER 99 N 1.84 -0.26 0.28 9.88 1.04 -1.25 -5.05 113.70 120.17 1pfu s SER 99 Ca 0.27 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.25 1pfu s SER 99 Cb -0.09 0.58 0.41 0.00 0.10 0.00 0.00 66.02 67.02 1pfu s SER 99 CO -0.08 -1.06 1.71 -0.08 0.98 0.00 0.00 173.24 174.71 1pfu h GLU 100 N 2.19 0.43 -0.48 4.02 4.57 -1.92 -1.63 114.58 121.74 1pfu h GLU 100 Ca -0.28 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 57.70 1pfu h GLU 100 Cb 1.26 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 1pfu h GLU 100 CO 0.37 0.69 0.24 0.93 -1.18 0.00 0.00 179.01 180.06 1pfu h GLU 101 N 0.37 0.69 -0.12 1.92 3.07 -1.94 -1.52 114.58 117.05 1pfu h GLU 101 Ca 0.05 -0.10 -0.17 0.00 -0.50 0.00 0.00 59.36 58.65 1pfu h GLU 101 Cb 0.72 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1pfu h GLU 101 CO 0.06 0.57 -0.62 -0.97 -1.40 0.00 0.00 179.01 176.65 1pfu h ASN 102 N 0.64 0.50 0.08 1.42 -0.00 -1.81 -2.13 115.58 114.28 1pfu h ASN 102 Ca 0.17 -0.29 -0.00 0.00 -0.00 0.00 0.00 56.30 56.17 1pfu h ASN 102 Cb 0.11 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.28 1pfu h ASN 102 CO -0.02 1.00 -0.04 -0.09 -0.00 0.00 0.00 177.43 178.27 1pfu h ARG 103 N 0.32 -0.11 -0.64 6.67 2.43 -1.03 0.11 114.38 122.13 1pfu h ARG 103 Ca -0.01 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1pfu h ARG 103 Cb 1.17 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1pfu h ARG 103 CO 0.11 -0.01 0.16 1.96 -1.51 0.00 0.00 179.97 180.69 1pfu h GLN 104 N -0.19 0.99 -0.26 0.20 4.20 -1.28 -1.33 115.11 117.46 1pfu h GLN 104 Ca -0.01 -0.22 -0.15 0.00 0.06 0.00 0.00 58.65 58.33 1pfu h GLN 104 Cb 0.15 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1pfu h GLN 104 CO 0.02 0.88 -0.44 -0.07 -0.67 0.00 0.00 178.83 178.54 1pfu h LEU 105 N 0.95 0.70 -0.44 1.46 3.38 -1.25 -0.49 115.31 119.62 1pfu h LEU 105 Ca 0.20 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1pfu h LEU 105 Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1pfu h LEU 105 CO -0.00 1.04 -0.08 0.28 0.09 0.00 0.00 178.44 179.77 1pfu h SER 106 N 0.52 0.83 -0.40 -0.43 0.02 -0.52 -1.44 113.55 112.13 1pfu h SER 106 Ca 0.04 -0.35 -0.10 0.00 -0.84 0.00 0.00 61.79 60.54 1pfu h SER 106 Cb 0.98 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1pfu h SER 106 CO 0.09 0.99 -0.09 -0.33 -1.14 0.00 0.00 176.83 176.35 1pfu h GLU 107 N 0.66 0.85 0.10 3.45 5.08 -1.15 -1.55 114.58 122.02 1pfu h GLU 107 Ca 0.11 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1pfu h GLU 107 Cb 0.61 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1pfu h GLU 107 CO 0.04 0.90 -0.05 1.25 -1.00 0.00 0.00 179.01 180.16 1pfu h LEU 108 N 0.77 -0.11 -0.78 1.33 5.85 -0.90 -1.19 115.31 120.27 1pfu h LEU 108 Ca 0.13 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1pfu h LEU 108 Cb 0.59 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1pfu h LEU 108 CO 0.04 0.13 0.38 0.40 -0.34 0.00 0.00 178.44 179.05 1pfu h ILE 109 N -0.36 1.25 -0.00 4.05 2.04 -1.25 -1.08 117.51 122.16 1pfu h ILE 109 Ca -0.01 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1pfu h ILE 109 Cb 0.30 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1pfu h ILE 109 CO 0.02 0.29 0.00 0.22 0.00 0.00 0.00 178.15 178.69 1pfu h TYR 110 N 1.11 0.00 -0.84 1.37 3.20 -1.20 -0.06 116.97 120.55 1pfu h TYR 110 Ca 0.27 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.16 1pfu h TYR 110 Cb 0.11 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1pfu h TYR 110 CO 0.01 0.08 0.56 0.66 -1.64 0.00 0.00 178.16 177.82 1pfu h SER 111 N -0.07 0.94 -0.30 -2.11 4.64 -1.01 0.93 113.55 116.57 1pfu h SER 111 Ca 0.00 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 1pfu h SER 111 Cb 0.07 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1pfu h SER 111 CO -0.00 0.67 -0.23 0.03 -0.87 0.00 0.00 176.83 176.43 1pfu h ARG 112 N 1.10 0.68 -0.71 4.77 3.08 -0.94 -0.49 114.38 121.89 1pfu h ARG 112 Ca 0.32 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1pfu h ARG 112 Cb -0.07 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1pfu h ARG 112 CO -0.08 0.94 0.22 -0.07 -1.07 0.00 0.00 179.97 179.91 1pfu h LEU 113 N 0.43 1.03 -0.00 3.04 3.38 -0.49 -0.78 115.31 121.91 1pfu h LEU 113 Ca 0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1pfu h LEU 113 Cb 0.78 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1pfu h LEU 113 CO 0.06 0.97 0.00 0.50 0.09 0.00 0.00 178.44 180.06 1pfu h LYS 114 N 1.04 0.00 -0.53 1.13 3.64 -0.76 0.96 116.57 122.05 1pfu h LYS 114 Ca 0.23 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1pfu h LYS 114 Cb 0.30 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1pfu h LYS 114 CO -0.01 0.24 0.36 1.49 -2.27 0.00 0.00 179.45 179.26 1pfu h GLU 115 N -0.23 0.40 -0.04 1.90 4.81 -0.94 -0.62 114.58 119.87 1pfu h GLU 115 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1pfu h GLU 115 Cb 0.24 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1pfu h GLU 115 CO 0.00 0.27 0.00 0.09 -0.73 0.00 0.00 179.01 178.64 1pfu n ASN 116 N -4.47 0.78 0.00 1.04 5.03 -0.31 -4.92 115.26 112.41 1pfu n ASN 116 Ca 0.08 -1.39 0.00 0.00 0.87 0.00 0.00 54.58 54.14 1pfu n ASN 116 Cb 0.30 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 1pfu n ASN 116 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pfu n GLY 117 N 1.03 0.43 1.17 7.41 0.00 -0.24 -4.96 105.19 110.03 1pfu n GLY 117 Ca 0.19 -1.02 0.11 0.00 0.00 0.00 0.00 46.02 45.30 1pfu n GLY 117 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pfu n PHE 118 N -2.93 0.77 -5.09 1.61 0.99 0.29 -4.88 117.46 108.23 1pfu n PHE 118 Ca 0.00 -0.39 -0.32 0.00 -0.00 0.00 0.00 57.45 56.74 1pfu n PHE 118 Cb 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 39.48 38.31 1pfu n PHE 118 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1pfu s ILE 119 N -1.23 2.21 0.12 4.37 -1.09 -1.25 -1.03 121.20 123.30 1pfu s ILE 119 Ca 0.42 -0.96 0.10 0.00 -2.23 0.00 0.00 60.65 57.99 1pfu s ILE 119 Cb 0.23 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 39.20 1pfu s ILE 119 CO 0.30 0.55 -0.26 -0.54 -1.23 0.00 0.00 174.94 173.76 1pfu s LYS 120 N 0.40 1.40 -0.13 2.79 -0.14 0.20 -4.93 119.74 119.33 1pfu s LYS 120 Ca -0.16 -1.30 -0.06 0.00 -1.36 0.00 0.00 55.97 53.08 1pfu s LYS 120 Cb -0.17 -1.84 -0.04 0.00 -1.68 0.00 0.00 37.83 34.10 1pfu s LYS 120 CO 0.07 0.44 0.10 -0.80 -0.76 0.00 0.00 175.35 174.40 1pfu s ASN 121 N -1.96 6.01 -0.23 2.83 0.01 -1.26 0.26 114.94 120.60 1pfu s ASN 121 Ca 0.13 0.32 -0.18 0.00 -0.71 0.00 0.00 52.86 52.41 1pfu s ASN 121 Cb -0.10 -1.93 0.06 0.00 0.41 0.00 0.00 41.25 39.70 1pfu s ASN 121 CO 0.05 0.35 0.59 -0.60 -1.51 0.00 0.00 177.10 175.98 1pfu s ARG 122 N -0.66 0.66 0.02 -0.60 3.52 -0.18 -4.98 118.95 116.74 1pfu s ARG 122 Ca 0.12 0.90 -0.18 0.00 -0.13 0.00 0.00 55.73 56.44 1pfu s ARG 122 Cb -0.12 0.25 -0.06 0.00 -1.56 0.00 0.00 34.95 33.47 1pfu s ARG 122 CO 0.02 -0.11 0.53 0.99 -0.81 0.00 0.00 175.30 175.92 1pfu s THR 123 N 0.72 4.89 0.15 4.11 2.01 -1.26 0.15 115.64 126.41 1pfu s THR 123 Ca -0.03 1.10 0.02 0.00 0.31 0.00 0.00 61.69 63.09 1pfu s THR 123 Cb -0.05 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1pfu s THR 123 CO -0.05 0.51 -0.03 0.27 -0.69 0.00 0.00 174.62 174.62 1pfu s ILE 124 N -0.71 0.75 -0.10 1.82 -4.36 -0.04 -4.94 121.20 113.62 1pfu s ILE 124 Ca 0.28 -1.98 -0.02 0.00 -0.26 0.00 0.00 60.65 58.67 1pfu s ILE 124 Cb -0.18 -1.95 -0.03 0.00 1.25 0.00 0.00 42.46 41.54 1pfu s ILE 124 CO 0.16 -0.63 -0.00 -0.55 0.24 0.00 0.00 174.94 174.16 1pfu s SER 125 N -3.13 5.17 0.03 4.36 0.15 -1.26 -1.13 113.70 117.88 1pfu s SER 125 Ca 0.19 0.10 -0.20 0.00 0.70 0.00 0.00 55.95 56.74 1pfu s SER 125 Cb 0.05 -1.51 0.04 0.00 -1.71 0.00 0.00 66.02 62.89 1pfu s SER 125 CO 0.01 0.34 0.46 -1.58 1.20 0.00 0.00 173.24 173.67 1pfu s GLN 126 N -0.67 0.94 0.36 5.44 0.74 -0.82 -4.93 119.66 120.72 1pfu s GLN 126 Ca 0.11 -0.24 -0.28 0.00 0.05 0.00 0.00 55.36 55.00 1pfu s GLN 126 Cb -0.12 0.42 -0.11 0.00 1.10 0.00 0.00 33.01 34.31 1pfu s GLN 126 CO 0.02 -0.32 1.49 1.28 -0.55 0.00 0.00 175.29 177.21 1pfu n LEU 127 N 0.61 4.62 -3.89 3.68 4.77 -1.26 -1.22 117.00 124.31 1pfu n LEU 127 Ca -0.19 1.21 -0.17 0.00 -0.03 0.00 0.00 56.01 56.84 1pfu n LEU 127 Cb 0.59 -1.61 -0.15 0.00 -2.33 0.00 0.00 43.42 39.92 1pfu n LEU 127 CO 0.21 0.11 -0.39 -0.47 -1.33 0.00 0.00 177.39 175.52 1pfu s TYR 128 N -0.94 0.44 -0.60 -1.77 5.04 0.11 -1.76 117.35 117.88 1pfu s TYR 128 Ca 0.55 -0.08 -0.21 0.00 -2.44 0.00 0.00 57.07 54.89 1pfu s TYR 128 Cb -0.49 -0.39 0.07 0.00 0.35 0.00 0.00 41.96 41.50 1pfu s TYR 128 CO 0.61 -0.09 0.84 0.34 -1.34 0.00 0.00 175.55 175.92 1pfu s ASP 129 N 0.48 6.21 0.44 4.32 -1.08 0.60 -1.40 116.67 126.26 1pfu s ASP 129 Ca -0.05 -0.96 0.16 0.00 -0.52 0.00 0.00 52.55 51.18 1pfu s ASP 129 Cb -0.09 -2.37 1.00 0.00 -1.46 0.00 0.00 42.92 40.01 1pfu s ASP 129 CO -0.01 -1.23 1.97 1.55 0.52 0.00 0.00 175.17 177.97 1pfu h PRO 130 N 9.33 0.00 0.11 4.34 0.13 -1.85 0.74 132.00 144.79 1pfu h PRO 130 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1pfu h PRO 130 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1pfu h PRO 130 CO 1.11 0.22 -0.05 1.49 -0.23 0.00 0.00 178.00 180.53 1pfu h GLU 131 N 0.00 -0.14 0.00 0.86 4.81 -1.91 -3.28 114.58 114.92 1pfu h GLU 131 Ca -0.00 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 1pfu h GLU 131 Cb 0.40 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1pfu h GLU 131 CO 0.03 0.36 -0.55 -0.22 -0.73 0.00 0.00 179.01 177.90 1pfu h LYS 132 N -0.83 0.00 -2.31 1.92 1.63 -1.98 -3.48 116.57 111.53 1pfu h LYS 132 Ca -0.01 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1pfu h LYS 132 Cb 0.57 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.22 1pfu h LYS 132 CO 0.02 0.55 -0.11 0.41 -3.45 0.00 0.00 179.45 176.88 1pfu n GLY 133 N 0.79 0.43 3.29 5.01 0.00 0.25 -5.06 105.19 109.92 1pfu n GLY 133 Ca 0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 1pfu n GLY 133 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1pfu s MET 134 N -4.45 0.73 0.43 1.61 0.23 -0.92 -4.51 119.30 112.42 1pfu s MET 134 Ca 0.02 -0.06 -0.23 0.00 -1.03 0.00 0.00 55.69 54.39 1pfu s MET 134 Cb -0.01 0.33 -0.09 0.00 -1.53 0.00 0.00 34.83 33.53 1pfu s MET 134 CO 0.10 -0.20 1.06 -0.06 -2.03 0.00 0.00 175.02 173.89 1pfu s PHE 135 N -1.21 3.15 -0.21 3.16 0.40 -1.26 -0.29 117.98 121.72 1pfu s PHE 135 Ca -0.12 1.61 -0.05 0.00 -0.60 0.00 0.00 56.93 57.77 1pfu s PHE 135 Cb -0.04 -3.14 -0.02 0.00 0.51 0.00 0.00 43.02 40.32 1pfu s PHE 135 CO 0.05 -0.79 0.01 -0.51 0.70 0.00 0.00 175.22 174.68 1pfu s LEU 136 N -2.90 3.27 0.63 -0.37 1.43 -0.72 -4.86 118.68 115.16 1pfu s LEU 136 Ca 0.61 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.34 1pfu s LEU 136 Cb -0.21 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1pfu s LEU 136 CO 0.26 0.05 1.10 -2.84 0.23 0.00 0.00 176.35 175.15 1pfu s PRO 137 N 1.11 2.99 0.28 1.29 0.02 -1.26 -4.66 135.00 134.77 1pfu s PRO 137 Ca 0.03 1.40 -0.08 0.00 0.02 0.00 0.00 61.00 62.36 1pfu s PRO 137 Cb -0.14 -1.97 0.45 0.00 0.02 0.00 0.00 34.50 32.85 1pfu s PRO 137 CO 0.02 -1.10 1.56 -0.44 -0.33 0.00 0.00 177.00 176.70 1pfu h ASP 138 N 0.31 -0.92 0.05 2.53 3.32 -1.98 0.18 116.42 119.90 1pfu h ASP 138 Ca -0.47 0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1pfu h ASP 138 Cb 1.24 0.61 0.00 0.00 0.22 0.00 0.00 39.33 41.41 1pfu h ASP 138 CO 0.55 -0.33 0.00 -2.11 -1.72 0.00 0.00 179.24 175.63 1pfu n ARG 139 N -5.62 0.20 -0.36 3.56 1.85 -1.26 -1.68 116.66 113.35 1pfu n ARG 139 Ca 0.16 0.07 0.08 0.00 -1.00 0.00 0.00 57.85 57.16 1pfu n ARG 139 Cb 0.49 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.64 1pfu n ARG 139 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1pfu n PHE 140 N -1.09 0.76 -5.11 2.89 3.01 0.61 -4.65 117.46 113.88 1pfu n PHE 140 Ca 0.05 -0.86 -0.30 0.00 1.01 0.00 0.00 57.45 57.36 1pfu n PHE 140 Cb 0.04 -0.27 -0.16 0.00 -0.01 0.00 0.00 39.48 39.08 1pfu n PHE 140 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1pfu s VAL 141 N -2.67 1.83 0.04 -4.37 1.01 -0.67 -1.53 120.40 114.04 1pfu s VAL 141 Ca 0.39 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 1pfu s VAL 141 Cb 0.31 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 1pfu s VAL 141 CO 0.08 0.51 0.14 -1.59 0.00 0.00 0.00 175.10 174.25 1pfu s LYS 142 N -0.08 0.63 0.00 2.72 -2.85 -0.84 -1.77 119.74 117.56 1pfu s LYS 142 Ca -0.04 -0.70 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 1pfu s LYS 142 Cb -0.13 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 1pfu s LYS 142 CO 0.03 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.72 1pfu n GLY 143 N 0.73 -0.70 3.71 0.59 0.00 -0.41 0.20 105.19 109.32 1pfu n GLY 143 Ca -0.19 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1pfu n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pfu s THR 144 N -3.58 5.24 0.18 2.61 2.01 0.69 0.09 115.64 122.88 1pfu s THR 144 Ca 0.00 0.73 -0.33 0.00 0.31 0.00 0.00 61.69 62.40 1pfu s THR 144 Cb 0.00 -3.72 -0.13 0.00 0.01 0.00 0.00 72.50 68.66 1pfu s THR 144 CO 0.00 0.33 1.68 0.00 -0.69 0.00 0.00 174.62 175.94 1pfu h PRO 146 N 6.56 0.96 0.00 0.00 0.11 -1.93 -0.27 132.00 137.43 1pfu h PRO 146 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pfu h PRO 146 Cb 1.22 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1pfu h PRO 146 CO 0.93 0.64 0.00 1.63 -0.21 0.00 0.00 178.00 180.99 1pfu n LYS 147 N -4.50 0.00 0.01 1.05 4.76 -1.26 -4.47 118.16 113.75 1pfu n LYS 147 Ca 0.14 0.38 0.13 0.00 -2.87 0.00 0.00 58.31 56.08 1pfu n LYS 147 Cb 0.22 -0.98 0.42 0.00 -1.84 0.00 0.00 35.03 32.85 1pfu n LYS 147 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pfu n LYS 149 N -1.62 -0.73 -2.39 0.00 4.76 -0.11 -4.99 118.16 113.07 1pfu n LYS 149 Ca 0.06 0.69 -0.42 0.00 -2.87 0.00 0.00 58.31 55.78 1pfu n LYS 149 Cb 0.35 -4.67 -0.03 0.00 -1.84 0.00 0.00 35.03 28.84 1pfu n LYS 149 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1pfu s SER 150 N -2.75 7.07 0.67 4.39 0.01 -1.26 -4.66 113.70 117.17 1pfu s SER 150 Ca 0.00 2.09 -0.11 0.00 1.31 0.00 0.00 55.95 59.24 1pfu s SER 150 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1pfu s SER 150 CO 0.00 -0.46 1.05 -2.16 0.41 0.00 0.00 173.24 172.09 1pfu s PRO 151 N 0.74 3.12 -1.24 12.44 0.04 -1.26 -1.48 135.00 147.36 1pfu s PRO 151 Ca 0.58 0.84 -0.02 0.00 0.04 0.00 0.00 61.00 62.44 1pfu s PRO 151 Cb -0.31 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1pfu s PRO 151 CO 0.31 -0.94 1.03 -0.25 0.04 0.00 0.00 177.00 177.19 1pfu n ASP 152 N -3.01 -2.90 -4.89 6.66 8.00 -1.10 -4.93 116.55 114.39 1pfu n ASP 152 Ca 0.07 -0.61 -0.34 0.00 0.71 0.00 0.00 54.79 54.62 1pfu n ASP 152 Cb 0.54 -5.06 -0.05 0.00 -0.02 0.00 0.00 41.12 36.53 1pfu n ASP 152 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1pfu s GLN 153 N -5.59 3.56 0.03 -1.24 -1.52 0.11 -4.86 119.66 110.15 1pfu s GLN 153 Ca 0.12 -0.12 0.05 0.00 -1.95 0.00 0.00 55.36 53.46 1pfu s GLN 153 Cb -0.05 -3.07 -0.03 0.00 -0.22 0.00 0.00 33.01 29.64 1pfu s GLN 153 CO 0.73 0.64 -0.10 0.71 -0.25 0.00 0.00 175.29 177.03 1pfu s TYR 154 N -1.33 2.79 0.00 0.91 1.51 -1.26 -1.29 117.35 118.68 1pfu s TYR 154 Ca 0.28 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 56.24 1pfu s TYR 154 Cb -0.13 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.17 1pfu s TYR 154 CO 0.17 0.35 0.00 0.41 -1.11 0.00 0.00 175.55 175.37 1pfu n GLY 155 N 1.44 1.61 1.49 0.71 0.00 -0.73 -3.76 105.19 105.96 1pfu n GLY 155 Ca -0.15 -0.63 0.08 0.00 0.00 0.00 0.00 46.02 45.32 1pfu n GLY 155 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pfu n ASP 156 N 1.02 4.42 -3.74 1.61 5.68 -1.26 -4.34 116.55 119.95 1pfu n ASP 156 Ca 0.00 -2.43 -0.13 0.00 -0.50 0.00 0.00 54.79 51.73 1pfu n ASP 156 Cb 0.00 -0.56 -0.08 0.00 -1.14 0.00 0.00 41.12 39.34 1pfu n ASP 156 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1pfu s ASN 157 N -0.84 -0.22 -0.14 -1.12 2.20 -1.25 0.35 114.94 113.92 1pfu s ASN 157 Ca 0.47 0.08 -0.08 0.00 -0.94 0.00 0.00 52.86 52.39 1pfu s ASN 157 Cb 0.30 0.34 -0.04 0.00 -2.00 0.00 0.00 41.25 39.85 1pfu s ASN 157 CO 0.22 -0.50 0.14 0.00 -2.94 0.00 0.00 177.10 174.03 1pfu n GLU 159 N 2.50 1.59 -0.05 0.00 1.02 -1.26 -2.15 120.64 122.29 1pfu n GLU 159 Ca -0.18 -0.88 -0.06 0.00 -0.02 0.00 0.00 57.16 56.02 1pfu n GLU 159 Cb 0.54 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.53 1pfu n GLU 159 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1pfu n VAL 160 N 0.09 1.01 1.19 2.62 0.31 -1.26 -4.69 118.33 117.60 1pfu n VAL 160 Ca 0.17 0.26 0.13 0.00 -0.01 0.00 0.00 64.34 64.88 1pfu n VAL 160 Cb 0.30 -2.02 0.29 0.00 -0.91 0.00 0.00 33.84 31.50 1pfu n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pfu n GLY 162 N 1.36 0.36 3.77 0.00 0.00 -0.91 -5.00 105.19 104.77 1pfu n GLY 162 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1pfu n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfu s ALA 163 N -1.79 2.67 0.10 4.61 0.00 -1.25 -4.71 121.76 121.39 1pfu s ALA 163 Ca 0.00 0.77 0.10 0.00 0.00 0.00 0.00 51.96 52.82 1pfu s ALA 163 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1pfu s ALA 163 CO 0.00 -0.83 -0.23 0.95 0.00 0.00 0.00 175.76 175.65 1pfu s THR 164 N -1.88 2.48 0.03 0.00 -4.23 -1.26 -0.74 115.64 110.05 1pfu s THR 164 Ca 0.71 -1.56 -0.29 0.00 -1.18 0.00 0.00 61.69 59.38 1pfu s THR 164 Cb -0.23 -2.09 0.10 0.00 1.34 0.00 0.00 72.50 71.63 1pfu s THR 164 CO 0.29 0.16 1.20 -0.72 -0.54 0.00 0.00 174.62 175.01 1pfu s TYR 165 N -1.03 -0.06 0.27 3.99 -0.85 0.16 -4.97 117.35 114.86 1pfu s TYR 165 Ca 0.15 -0.11 -0.29 0.00 -0.52 0.00 0.00 57.07 56.30 1pfu s TYR 165 Cb -0.10 0.58 -0.09 0.00 0.38 0.00 0.00 41.96 42.72 1pfu s TYR 165 CO 0.07 -0.43 1.00 0.45 -1.52 0.00 0.00 175.55 175.11 1pfu s SER 166 N -3.03 7.44 0.49 -0.18 0.15 -1.26 -4.24 113.70 113.08 1pfu s SER 166 Ca 0.15 2.04 0.26 0.00 0.70 0.00 0.00 55.95 59.10 1pfu s SER 166 Cb 0.03 -2.61 1.44 0.00 -1.71 0.00 0.00 66.02 63.17 1pfu s SER 166 CO -0.02 0.00 1.78 -0.65 1.20 0.00 0.00 173.24 175.56 1pfu h PRO 167 N 3.83 0.00 0.00 5.44 0.11 -1.92 0.34 132.00 139.81 1pfu h PRO 167 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1pfu h PRO 167 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1pfu h PRO 167 CO 0.67 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.71 1pfu n THR 168 N -2.55 0.82 1.02 -1.15 -2.24 -1.26 -2.17 114.28 106.75 1pfu n THR 168 Ca -0.02 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 1pfu n THR 168 Cb 0.22 -0.94 0.11 0.00 -2.10 0.00 0.00 70.33 67.61 1pfu n THR 168 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pfu n GLU 169 N -1.65 0.17 -1.92 -0.78 1.02 0.12 -4.95 120.64 112.66 1pfu n GLU 169 Ca 0.04 -0.12 -0.41 0.00 -0.02 0.00 0.00 57.16 56.65 1pfu n GLU 169 Cb 0.21 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1pfu n GLU 169 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pfu s LEU 170 N -2.91 4.31 -0.03 -4.62 1.43 -0.92 -4.39 118.68 111.53 1pfu s LEU 170 Ca 0.12 2.89 -0.23 0.00 -1.03 0.00 0.00 54.13 55.88 1pfu s LEU 170 Cb 0.17 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1pfu s LEU 170 CO 0.74 -0.82 0.68 -0.63 0.23 0.00 0.00 176.35 176.54 1pfu s ILE 171 N -1.15 4.96 -1.16 -0.59 1.01 0.61 -4.16 121.20 120.72 1pfu s ILE 171 Ca 0.53 1.41 -0.09 0.00 0.00 0.00 0.00 60.65 62.50 1pfu s ILE 171 Cb -0.43 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 1pfu s ILE 171 CO 0.58 0.31 0.82 -0.62 0.00 0.00 0.00 174.94 176.03 1pfu n GLU 172 N 3.35 -2.88 -1.65 2.79 -0.58 -1.26 -0.22 120.64 120.19 1pfu n GLU 172 Ca -0.03 0.65 -0.37 0.00 -0.42 0.00 0.00 57.16 56.99 1pfu n GLU 172 Cb 0.51 -5.05 0.06 0.00 -0.57 0.00 0.00 31.44 26.38 1pfu n GLU 172 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1pfu n PRO 173 N -3.91 0.94 -3.77 3.49 -0.02 -1.26 -4.55 135.00 125.92 1pfu n PRO 173 Ca -0.16 0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.57 1pfu n PRO 173 Cb 0.63 -2.27 -0.12 0.00 -0.02 0.00 0.00 33.50 31.72 1pfu n PRO 173 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pfu s LYS 174 N -2.93 0.23 0.09 -0.52 -0.14 0.13 -4.37 119.74 112.23 1pfu s LYS 174 Ca 0.78 0.38 -0.31 0.00 -1.36 0.00 0.00 55.97 55.46 1pfu s LYS 174 Cb -0.40 0.04 -0.07 0.00 -1.68 0.00 0.00 37.83 35.71 1pfu s LYS 174 CO 0.45 -0.08 1.40 0.45 -0.76 0.00 0.00 175.35 176.81 1pfu s SER 175 N 0.51 6.83 0.46 2.83 0.15 0.19 -1.99 113.70 122.69 1pfu s SER 175 Ca -0.03 2.28 0.31 0.00 0.70 0.00 0.00 55.95 59.20 1pfu s SER 175 Cb -0.05 -2.58 1.26 0.00 -1.71 0.00 0.00 66.02 62.95 1pfu s SER 175 CO -0.03 -0.67 1.91 0.58 1.20 0.00 0.00 173.24 176.23 1pfu h VAL 176 N 4.43 0.00 0.00 4.45 2.07 -1.62 0.22 116.25 125.81 1pfu h VAL 176 Ca -0.41 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 1pfu h VAL 176 Cb 1.20 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1pfu h VAL 176 CO 0.87 0.00 -0.33 0.58 0.02 0.00 0.00 177.57 178.72 1pfu h VAL 177 N 0.00 1.17 0.00 2.57 2.07 -1.90 -3.42 116.25 116.74 1pfu h VAL 177 Ca 0.00 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 65.49 1pfu h VAL 177 Cb 0.46 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1pfu h VAL 177 CO 0.00 0.40 -1.40 -1.54 0.02 0.00 0.00 177.57 175.05 1pfu n SER 178 N -4.60 3.23 0.00 0.57 3.41 -1.23 -5.01 113.62 109.99 1pfu n SER 178 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1pfu n SER 178 Cb 0.43 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 1pfu n SER 178 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pfu n GLY 179 N 2.21 0.88 3.79 5.00 0.00 0.79 -4.97 105.19 112.88 1pfu n GLY 179 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1pfu n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfu s ALA 180 N -2.49 2.49 -0.13 4.61 0.00 -1.26 -4.30 121.76 120.69 1pfu s ALA 180 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 1pfu s ALA 180 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1pfu s ALA 180 CO 0.00 -1.35 1.16 0.99 0.00 0.00 0.00 175.76 176.56 1pfu s THR 181 N -2.70 4.42 0.55 0.00 2.01 -1.26 -0.63 115.64 118.02 1pfu s THR 181 Ca 0.62 1.72 -0.14 0.00 0.31 0.00 0.00 61.69 64.21 1pfu s THR 181 Cb -0.17 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.17 1pfu s THR 181 CO 0.49 -0.07 0.99 -2.16 -0.69 0.00 0.00 174.62 173.18 1pfu s PRO 182 N 2.74 3.80 0.07 4.92 0.04 -1.26 -4.64 135.00 140.65 1pfu s PRO 182 Ca 0.52 0.85 0.02 0.00 0.04 0.00 0.00 61.00 62.43 1pfu s PRO 182 Cb -0.21 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1pfu s PRO 182 CO 0.16 -0.39 -0.08 0.54 0.04 0.00 0.00 177.00 177.28 1pfu s VAL 183 N -2.85 0.63 0.19 -0.36 0.11 -0.49 -4.86 120.40 112.76 1pfu s VAL 183 Ca 0.57 -1.45 -0.30 0.00 -2.93 0.00 0.00 61.98 57.87 1pfu s VAL 183 Cb -0.10 -1.07 -0.08 0.00 -1.53 0.00 0.00 36.38 33.59 1pfu s VAL 183 CO 0.41 -0.58 1.25 -0.04 -3.33 0.00 0.00 175.10 172.81 1pfu s MET 184 N -2.52 4.44 -0.03 1.54 -1.94 -1.26 0.05 119.30 119.57 1pfu s MET 184 Ca -0.01 1.96 -0.03 0.00 -1.71 0.00 0.00 55.69 55.91 1pfu s MET 184 Cb -0.04 -3.22 0.01 0.00 2.01 0.00 0.00 34.83 33.59 1pfu s MET 184 CO -0.02 -0.18 0.08 0.50 -0.01 0.00 0.00 175.02 175.40 1pfu s ARG 185 N -0.13 0.11 0.55 2.03 3.52 -0.36 -4.90 118.95 119.76 1pfu s ARG 185 Ca 0.55 0.08 -0.15 0.00 -0.13 0.00 0.00 55.73 56.08 1pfu s ARG 185 Cb -0.34 0.05 -0.06 0.00 -1.56 0.00 0.00 34.95 33.03 1pfu s ARG 185 CO 0.37 -0.01 1.00 -0.51 -0.81 0.00 0.00 175.30 175.34 1pfu s ASP 186 N -0.02 6.42 -0.28 -2.12 -0.00 -1.26 -1.94 116.67 117.48 1pfu s ASP 186 Ca -0.01 1.57 -0.24 0.00 -0.00 0.00 0.00 52.55 53.87 1pfu s ASP 186 Cb -0.01 -2.50 0.11 0.00 -0.00 0.00 0.00 42.92 40.51 1pfu s ASP 186 CO 0.00 -0.73 0.92 -0.55 -0.00 0.00 0.00 175.17 174.81 1pfu s SER 187 N -3.29 -0.57 0.01 0.27 0.15 -0.28 -4.97 113.70 105.02 1pfu s SER 187 Ca 0.59 1.07 -0.28 0.00 0.70 0.00 0.00 55.95 58.03 1pfu s SER 187 Cb -0.11 1.11 -0.04 0.00 -1.71 0.00 0.00 66.02 65.27 1pfu s SER 187 CO 0.37 -0.18 0.89 -0.70 1.20 0.00 0.00 173.24 174.82 1pfu s GLU 188 N 0.44 4.55 0.15 5.44 2.12 -1.26 -0.86 118.70 129.27 1pfu s GLU 188 Ca 0.01 1.26 0.09 0.00 0.36 0.00 0.00 54.97 56.69 1pfu s GLU 188 Cb -0.05 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1pfu s GLU 188 CO -0.06 0.05 -0.21 -1.01 -0.54 0.00 0.00 175.26 173.49 1pfu s HIS 189 N 0.70 1.97 -0.18 5.30 3.76 0.12 -4.96 115.29 122.00 1pfu s HIS 189 Ca 0.47 -0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 54.87 1pfu s HIS 189 Cb -0.21 -1.01 -0.04 0.00 1.11 0.00 0.00 32.58 32.43 1pfu s HIS 189 CO 0.25 0.34 0.09 -0.06 -0.85 0.00 0.00 174.74 174.51 1pfu s PHE 190 N -1.65 3.33 0.05 1.40 0.08 -1.26 -1.01 117.98 118.93 1pfu s PHE 190 Ca 0.14 0.21 0.08 0.00 0.12 0.00 0.00 56.93 57.48 1pfu s PHE 190 Cb -0.08 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1pfu s PHE 190 CO 0.07 0.27 -0.21 -0.06 -0.10 0.00 0.00 175.22 175.18 1pfu s PHE 191 N 0.17 2.47 -0.17 0.36 0.40 0.14 -1.25 117.98 120.10 1pfu s PHE 191 Ca 0.06 -0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 55.93 1pfu s PHE 191 Cb -0.12 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1pfu s PHE 191 CO -0.00 0.22 0.31 0.12 0.70 0.00 0.00 175.22 176.57 1pfu s PHE 192 N -0.90 3.44 -1.44 0.36 5.36 0.69 -0.63 117.98 124.87 1pfu s PHE 192 Ca 0.14 0.59 -0.12 0.00 -0.96 0.00 0.00 56.93 56.58 1pfu s PHE 192 Cb -0.10 -2.38 0.05 0.00 -0.34 0.00 0.00 43.02 40.25 1pfu s PHE 192 CO 0.04 0.18 2.27 -3.47 -1.46 0.00 0.00 175.22 172.79 1pfu n ASP 193 N 3.78 5.06 -0.29 6.13 2.03 -0.20 -1.21 116.55 131.84 1pfu n ASP 193 Ca -0.11 -2.87 0.10 0.00 0.52 0.00 0.00 54.79 52.42 1pfu n ASP 193 Cb 0.52 -1.59 0.33 0.00 -0.72 0.00 0.00 41.12 39.65 1pfu n ASP 193 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1pfu h LEU 194 N 8.89 0.75 -1.95 -2.67 5.85 -1.89 -1.98 115.31 122.32 1pfu h LEU 194 Ca 0.59 0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.51 1pfu h LEU 194 Cb 0.57 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1pfu h LEU 194 CO 1.80 0.39 0.52 -0.65 -0.34 0.00 0.00 178.44 180.17 1pfu h PRO 195 N 0.80 0.00 0.00 5.25 0.11 -1.86 -0.30 132.00 136.01 1pfu h PRO 195 Ca 0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.56 1pfu h PRO 195 Cb 0.60 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1pfu h PRO 195 CO -0.22 0.00 -0.03 0.77 -0.21 0.00 0.00 178.00 178.32 1pfu h SER 196 N 0.00 0.00 -0.57 -2.05 0.02 -1.77 -2.56 113.55 106.62 1pfu h SER 196 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1pfu h SER 196 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1pfu h SER 196 CO -0.00 0.03 0.00 0.49 -1.14 0.00 0.00 176.83 176.20 1pfu n PHE 197 N -3.22 1.19 -0.02 3.45 3.01 -0.12 -4.70 117.46 117.05 1pfu n PHE 197 Ca -0.01 -0.61 -0.12 0.00 1.01 0.00 0.00 57.45 57.72 1pfu n PHE 197 Cb 0.19 -0.18 -0.06 0.00 -0.01 0.00 0.00 39.48 39.42 1pfu n PHE 197 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1pfu h SER 198 N 3.52 -1.36 -0.82 4.37 0.87 -1.54 -0.64 113.55 117.94 1pfu h SER 198 Ca 0.00 0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1pfu h SER 198 Cb 1.27 0.56 -0.04 0.00 -0.44 0.00 0.00 62.40 63.74 1pfu h SER 198 CO 0.16 -0.42 0.54 -0.33 -0.53 0.00 0.00 176.83 176.25 1pfu h GLU 199 N -0.48 1.07 -0.23 2.24 5.08 -1.85 -0.68 114.58 119.73 1pfu h GLU 199 Ca 0.08 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1pfu h GLU 199 Cb 0.63 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1pfu h GLU 199 CO -0.42 0.71 0.10 1.98 -1.00 0.00 0.00 179.01 180.37 1pfu h MET 200 N 1.10 0.21 -0.55 2.33 4.05 -1.79 -1.92 114.93 118.37 1pfu h MET 200 Ca 0.31 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.63 1pfu h MET 200 Cb -0.11 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.62 1pfu h MET 200 CO -0.07 0.14 0.01 -0.07 0.23 0.00 0.00 176.91 177.15 1pfu h LEU 201 N 0.22 0.91 -0.88 3.39 3.38 -0.78 -2.41 115.31 119.14 1pfu h LEU 201 Ca 0.10 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1pfu h LEU 201 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1pfu h LEU 201 CO -0.08 0.96 0.25 1.56 0.09 0.00 0.00 178.44 181.22 1pfu h GLN 202 N 0.87 1.07 -0.54 1.13 4.20 -0.90 -1.18 115.11 119.76 1pfu h GLN 202 Ca 0.16 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1pfu h GLN 202 Cb 0.50 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1pfu h GLN 202 CO 0.02 0.89 0.25 0.00 -0.67 0.00 0.00 178.83 179.33 1pfu h ALA 203 N 1.23 0.69 -0.60 3.87 0.00 -1.07 -1.97 119.26 121.42 1pfu h ALA 203 Ca 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pfu h ALA 203 Cb 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1pfu h ALA 203 CO -0.01 0.26 0.25 2.35 0.00 0.00 0.00 179.25 182.10 1pfu h TRP 204 N 0.72 0.90 -0.89 0.00 7.01 -1.05 -1.76 115.95 120.88 1pfu h TRP 204 Ca 0.18 -0.06 0.04 0.00 2.11 0.00 0.00 58.89 61.17 1pfu h TRP 204 Cb 0.13 -0.27 -0.05 0.00 -2.10 0.00 0.00 29.16 26.86 1pfu h TRP 204 CO -0.00 0.71 0.59 1.15 -2.79 0.00 0.00 178.44 178.10 1pfu h THR 205 N 0.83 1.12 0.00 2.65 2.02 -1.00 -2.14 112.91 116.40 1pfu h THR 205 Ca 0.20 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1pfu h THR 205 Cb 0.18 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1pfu h THR 205 CO -0.02 0.20 0.00 -1.14 0.37 0.00 0.00 175.52 174.93 1pfu n ARG 206 N -4.46 0.03 0.27 6.66 0.63 -0.76 -3.98 116.66 115.05 1pfu n ARG 206 Ca 0.12 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 57.21 1pfu n ARG 206 Cb 0.13 -1.50 0.74 0.00 0.45 0.00 0.00 32.46 32.28 1pfu n ARG 206 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1pfu h SER 207 N 0.00 0.00 0.00 6.15 4.64 -0.63 -3.46 113.55 120.25 1pfu h SER 207 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pfu h SER 207 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1pfu h SER 207 CO 0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 1pfu n GLY 208 N -0.27 0.75 0.10 -0.77 0.00 -1.26 -4.95 105.19 98.80 1pfu n GLY 208 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1pfu n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfu h ALA 209 N 0.00 0.04 -2.32 4.61 0.00 -1.86 -3.46 119.26 116.27 1pfu h ALA 209 Ca 0.00 -0.48 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 1pfu h ALA 209 Cb 0.00 0.02 0.14 0.00 0.00 0.00 0.00 17.79 17.95 1pfu h ALA 209 CO 0.00 0.11 0.29 -0.51 0.00 0.00 0.00 179.25 179.13 1pfu s LEU 210 N -8.49 2.71 0.49 0.00 1.43 -1.26 -4.91 118.68 108.64 1pfu s LEU 210 Ca -0.16 1.71 -0.23 0.00 -1.03 0.00 0.00 54.13 54.42 1pfu s LEU 210 Cb 0.01 -4.28 -0.06 0.00 0.03 0.00 0.00 46.19 41.88 1pfu s LEU 210 CO 0.75 -2.33 1.29 -1.10 0.23 0.00 0.00 176.35 175.18 1pfu s GLN 211 N -4.90 3.51 0.21 1.70 -0.21 -1.26 -4.81 119.66 113.90 1pfu s GLN 211 Ca 0.62 2.07 -0.10 0.00 0.02 0.00 0.00 55.36 57.98 1pfu s GLN 211 Cb -0.18 -2.41 0.28 0.00 1.00 0.00 0.00 33.01 31.71 1pfu s GLN 211 CO 0.57 -0.84 1.72 1.49 -2.12 0.00 0.00 175.29 176.11 1pfu h GLU 212 N 1.90 0.32 -0.00 2.91 4.81 -1.94 -0.60 114.58 121.98 1pfu h GLU 212 Ca -0.50 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.66 1pfu h GLU 212 Cb 1.27 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1pfu h GLU 212 CO 0.59 0.21 -0.25 1.96 -0.73 0.00 0.00 179.01 180.80 1pfu h GLN 213 N 0.33 0.01 -0.05 1.92 4.20 -1.98 -1.94 115.11 117.60 1pfu h GLN 213 Ca 0.31 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.92 1pfu h GLN 213 Cb 0.42 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.21 1pfu h GLN 213 CO -0.35 0.25 -0.33 0.28 -0.67 0.00 0.00 178.83 178.01 1pfu h VAL 214 N 0.01 1.45 -0.76 -0.54 2.07 -1.57 -2.62 116.25 114.28 1pfu h VAL 214 Ca -0.00 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 65.79 1pfu h VAL 214 Cb 0.44 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 1pfu h VAL 214 CO 0.03 0.51 0.44 0.00 0.02 0.00 0.00 177.57 178.57 1pfu h ALA 215 N 0.38 1.05 -0.82 1.67 0.00 -0.93 -0.64 119.26 119.96 1pfu h ALA 215 Ca -0.03 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1pfu h ALA 215 Cb 1.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1pfu h ALA 215 CO 0.07 0.11 0.54 -0.91 0.00 0.00 0.00 179.25 179.06 1pfu h ASN 216 N 0.78 0.95 -0.74 0.00 -0.26 -1.35 -1.96 115.58 113.00 1pfu h ASN 216 Ca 0.35 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 56.00 1pfu h ASN 216 Cb 0.25 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.24 1pfu h ASN 216 CO -0.21 0.70 0.23 0.11 -1.06 0.00 0.00 177.43 177.20 1pfu h LYS 217 N 1.12 1.15 -0.23 0.81 1.79 -0.92 -2.80 116.57 117.48 1pfu h LYS 217 Ca 0.30 -0.25 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 1pfu h LYS 217 Cb -0.12 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.35 1pfu h LYS 217 CO -0.06 0.98 -0.08 0.52 -1.08 0.00 0.00 179.45 179.72 1pfu h MET 218 N 1.09 0.37 -0.11 3.15 2.86 -0.52 -2.14 114.93 119.63 1pfu h MET 218 Ca 0.24 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1pfu h MET 218 Cb 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1pfu h MET 218 CO -0.01 0.46 -0.22 1.96 1.06 0.00 0.00 176.91 180.17 1pfu h GLN 219 N 0.35 0.19 -0.57 1.72 1.08 -1.11 -1.42 115.11 115.35 1pfu h GLN 219 Ca 0.07 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 1pfu h GLN 219 Cb 0.37 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1pfu h GLN 219 CO 0.02 0.41 -0.04 0.93 -0.95 0.00 0.00 178.83 179.20 1pfu h GLU 220 N 0.18 1.02 -0.22 1.46 5.08 -1.32 -1.16 114.58 119.61 1pfu h GLU 220 Ca 0.03 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 57.89 1pfu h GLU 220 Cb 0.49 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1pfu h GLU 220 CO 0.03 1.03 -0.52 -1.49 -1.00 0.00 0.00 179.01 177.06 1pfu h TRP 221 N 0.93 0.79 -0.51 4.33 6.55 -1.17 -1.04 115.95 125.82 1pfu h TRP 221 Ca 0.16 -0.27 -0.12 0.00 0.95 0.00 0.00 58.89 59.60 1pfu h TRP 221 Cb 0.59 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.73 1pfu h TRP 221 CO 0.04 1.02 -0.17 0.74 -1.05 0.00 0.00 178.44 179.02 1pfu h PHE 222 N 0.49 1.15 -0.53 0.49 0.05 -1.19 -1.00 116.94 116.41 1pfu h PHE 222 Ca 0.02 -0.26 -0.00 0.00 3.82 0.00 0.00 57.97 61.54 1pfu h PHE 222 Cb 1.07 -0.28 -0.03 0.00 2.00 0.00 0.00 35.95 38.72 1pfu h PHE 222 CO 0.05 1.09 0.32 1.49 -0.18 0.00 0.00 178.31 181.08 1pfu h GLU 223 N 0.89 0.72 -0.03 1.51 4.57 -1.05 -1.44 114.58 119.75 1pfu h GLU 223 Ca 0.12 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1pfu h GLU 223 Cb 0.74 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1pfu h GLU 223 CO 0.06 0.52 -0.25 0.77 -1.18 0.00 0.00 179.01 178.93 1pfu h SER 224 N 0.71 0.05 0.00 1.04 0.02 -1.01 -3.48 113.55 110.88 1pfu h SER 224 Ca 0.19 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1pfu h SER 224 Cb -0.01 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1pfu h SER 224 CO -0.04 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1pfu n GLY 225 N -0.76 2.06 3.78 -3.77 0.00 -0.40 -5.05 105.19 101.06 1pfu n GLY 225 Ca -0.02 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 1pfu n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfu s LEU 226 N 0.00 4.18 0.26 0.99 1.43 -1.26 -4.91 118.68 119.38 1pfu s LEU 226 Ca 0.00 2.00 0.07 0.00 -1.03 0.00 0.00 54.13 55.17 1pfu s LEU 226 Cb 0.00 -4.15 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 1pfu s LEU 226 CO 0.00 -0.40 -0.09 -1.10 0.23 0.00 0.00 176.35 174.99 1pfu s GLN 227 N -2.41 1.51 0.54 1.70 -1.52 -1.26 -4.75 119.66 113.47 1pfu s GLN 227 Ca 0.56 -1.74 -0.20 0.00 -1.95 0.00 0.00 55.36 52.03 1pfu s GLN 227 Cb -0.21 -1.20 -0.06 0.00 -0.22 0.00 0.00 33.01 31.32 1pfu s GLN 227 CO 0.27 0.09 1.12 -0.65 -0.25 0.00 0.00 175.29 175.87 1pfu s GLN 228 N -3.69 3.40 -0.20 2.91 -0.21 -1.26 -4.43 119.66 116.18 1pfu s GLN 228 Ca 0.28 1.59 -0.04 0.00 0.02 0.00 0.00 55.36 57.21 1pfu s GLN 228 Cb 0.02 -2.02 -0.02 0.00 1.00 0.00 0.00 33.01 32.00 1pfu s GLN 228 CO 0.11 -0.80 -0.03 -0.46 -2.12 0.00 0.00 175.29 171.99 1pfu s TRP 229 N -1.79 2.99 -0.14 0.91 -0.00 -0.35 -4.90 118.94 115.66 1pfu s TRP 229 Ca 0.72 -0.64 -0.29 0.00 -0.00 0.00 0.00 56.10 55.89 1pfu s TRP 229 Cb -0.23 -2.06 -0.03 0.00 -0.00 0.00 0.00 33.47 31.14 1pfu s TRP 229 CO 0.26 -0.34 1.54 0.34 -0.00 0.00 0.00 176.95 178.75 1pfu s ASP 230 N 1.08 6.65 -0.06 5.86 -1.08 -1.26 -0.22 116.67 127.63 1pfu s ASP 230 Ca 0.02 1.88 0.09 0.00 -0.52 0.00 0.00 52.55 54.02 1pfu s ASP 230 Cb -0.15 -2.53 0.20 0.00 -1.46 0.00 0.00 42.92 38.98 1pfu s ASP 230 CO 0.01 -0.99 1.14 2.30 0.52 0.00 0.00 175.17 178.14 1pfu n ILE 231 N 5.76 1.43 -4.36 4.11 -5.35 -0.38 -4.92 119.36 115.64 1pfu n ILE 231 Ca 0.17 -1.49 -0.24 0.00 -0.27 0.00 0.00 62.75 60.92 1pfu n ILE 231 Cb 0.44 0.18 -0.12 0.00 -1.74 0.00 0.00 39.64 38.41 1pfu n ILE 231 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1pfu s SER 232 N -1.68 2.93 -0.01 7.28 1.04 -1.24 -0.23 113.70 121.79 1pfu s SER 232 Ca 0.19 -0.83 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 1pfu s SER 232 Cb 0.15 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1pfu s SER 232 CO 0.05 0.04 0.03 -0.13 0.98 0.00 0.00 173.24 174.20 1pfu s ARG 233 N -2.60 0.09 0.54 4.02 1.81 0.35 -4.69 118.95 118.48 1pfu s ARG 233 Ca 0.16 -0.04 -0.14 0.00 -1.72 0.00 0.00 55.73 53.99 1pfu s ARG 233 Cb -0.07 0.04 -0.06 0.00 -0.45 0.00 0.00 34.95 34.40 1pfu s ARG 233 CO 0.07 -0.01 0.98 -0.51 -0.68 0.00 0.00 175.30 175.15 1pfu s ASP 234 N -0.19 6.47 0.58 0.23 1.11 -1.26 -0.27 116.67 123.33 1pfu s ASP 234 Ca -0.02 1.47 -0.17 0.00 0.18 0.00 0.00 52.55 54.01 1pfu s ASP 234 Cb -0.02 -2.47 -0.04 0.00 1.07 0.00 0.00 42.92 41.46 1pfu s ASP 234 CO -0.00 -0.67 1.06 0.00 1.18 0.00 0.00 175.17 176.74 1pfu s ALA 235 N -2.81 2.74 0.29 5.23 0.00 -0.64 -4.23 121.76 122.33 1pfu s ALA 235 Ca 0.57 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 1pfu s ALA 235 Cb -0.10 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 1pfu s ALA 235 CO 0.40 -0.76 1.20 -1.25 0.00 0.00 0.00 175.76 175.35 1pfu s PRO 236 N -3.87 4.50 -0.17 0.00 0.04 -1.26 -4.77 135.00 129.46 1pfu s PRO 236 Ca 0.65 1.99 -0.25 0.00 0.04 0.00 0.00 61.00 63.43 1pfu s PRO 236 Cb -0.17 -3.15 0.06 0.00 0.04 0.00 0.00 34.50 31.29 1pfu s PRO 236 CO 0.34 -0.00 0.66 -0.47 0.04 0.00 0.00 177.00 177.56 1pfu s TYR 237 N -0.96 -0.68 -0.60 0.56 6.14 -1.26 -4.98 117.35 115.57 1pfu s TYR 237 Ca 0.48 1.50 -0.14 0.00 0.64 0.00 0.00 57.07 59.54 1pfu s TYR 237 Cb -0.35 0.30 0.15 0.00 0.42 0.00 0.00 41.96 42.47 1pfu s TYR 237 CO 0.45 -0.44 0.54 0.12 0.64 0.00 0.00 175.55 176.86 1pfu s PHE 238 N -0.25 3.40 0.00 4.97 5.36 -1.26 -4.95 117.98 125.25 1pfu s PHE 238 Ca -0.04 -1.56 0.00 0.00 -0.96 0.00 0.00 56.93 54.37 1pfu s PHE 238 Cb -0.03 -3.76 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 1pfu s PHE 238 CO 0.04 -1.01 0.00 0.41 -1.46 0.00 0.00 175.22 173.21 1pfu n GLY 239 N 4.86 1.17 3.70 13.12 0.00 -1.26 -1.89 105.19 124.90 1pfu n GLY 239 Ca -0.06 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1pfu n GLY 239 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pfu s PHE 240 N -1.56 3.40 0.30 1.61 2.99 -1.26 -4.99 117.98 118.47 1pfu s PHE 240 Ca 0.00 0.48 -0.29 0.00 0.00 0.00 0.00 56.93 57.12 1pfu s PHE 240 Cb 0.00 -2.35 -0.10 0.00 0.00 0.00 0.00 43.02 40.58 1pfu s PHE 240 CO 0.00 0.14 1.13 -1.21 -0.00 0.00 0.00 175.22 175.28 1pfu s GLU 241 N 0.80 4.55 0.01 0.44 2.02 -1.26 -0.77 118.70 124.49 1pfu s GLU 241 Ca 0.14 1.84 -0.29 0.00 0.02 0.00 0.00 54.97 56.69 1pfu s GLU 241 Cb -0.13 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 1pfu s GLU 241 CO 0.04 0.12 0.92 0.42 0.02 0.00 0.00 175.26 176.78 1pfu s ILE 242 N -1.20 4.83 0.30 -1.63 1.01 0.07 -4.83 121.20 119.75 1pfu s ILE 242 Ca 0.46 1.94 -0.29 0.00 0.00 0.00 0.00 60.65 62.76 1pfu s ILE 242 Cb -0.32 -4.26 -0.13 0.00 0.01 0.00 0.00 42.46 37.75 1pfu s ILE 242 CO 0.42 0.21 1.33 -2.65 0.00 0.00 0.00 174.94 174.25 1pfu n PRO 243 N 3.65 2.06 -1.28 2.79 -0.02 -1.26 -1.91 135.00 139.03 1pfu n PRO 243 Ca 0.04 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.15 1pfu n PRO 243 Cb 0.51 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 1pfu n PRO 243 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pfu n ASN 244 N 1.40 -5.37 -3.41 2.55 5.03 -1.26 -4.91 115.26 109.28 1pfu n ASN 244 Ca 0.08 0.24 -0.26 0.00 0.87 0.00 0.00 54.58 55.50 1pfu n ASN 244 Cb 0.34 -3.72 -0.10 0.00 -1.02 0.00 0.00 39.78 35.28 1pfu n ASN 244 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pfu n ALA 245 N 1.18 2.90 -1.59 5.41 0.00 -0.80 -5.11 120.51 122.49 1pfu n ALA 245 Ca -0.10 -3.43 -0.48 0.00 0.00 0.00 0.00 53.44 49.43 1pfu n ALA 245 Cb 0.52 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 1pfu n ALA 245 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pfu n PRO 246 N 2.31 1.26 -0.91 0.00 -0.02 -1.26 -1.67 135.00 134.71 1pfu n PRO 246 Ca 0.27 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1pfu n PRO 246 Cb 0.47 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1pfu n PRO 246 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pfu n GLY 247 N 2.03 0.70 3.58 -1.23 0.00 -1.26 -5.01 105.19 104.00 1pfu n GLY 247 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1pfu n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfu s LYS 248 N -0.27 2.81 0.17 1.61 -0.14 -0.67 -1.62 119.74 121.62 1pfu s LYS 248 Ca 0.00 -0.54 0.07 0.00 -1.36 0.00 0.00 55.97 54.14 1pfu s LYS 248 Cb 0.00 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 1pfu s LYS 248 CO 0.00 0.64 -0.15 0.71 -0.76 0.00 0.00 175.35 175.79 1pfu s TYR 249 N -0.75 1.62 -0.00 3.18 1.51 0.62 -0.75 117.35 122.79 1pfu s TYR 249 Ca 0.11 -0.55 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 1pfu s TYR 249 Cb -0.11 -0.80 -0.05 0.00 -0.11 0.00 0.00 41.96 40.89 1pfu s TYR 249 CO 0.02 0.27 1.26 -0.06 -1.11 0.00 0.00 175.55 175.92 1pfu s PHE 250 N -2.50 3.18 0.39 2.71 2.99 0.05 -0.49 117.98 124.30 1pfu s PHE 250 Ca 0.16 1.13 -0.27 0.00 0.00 0.00 0.00 56.93 57.96 1pfu s PHE 250 Cb -0.03 -3.49 -0.11 0.00 0.00 0.00 0.00 43.02 39.39 1pfu s PHE 250 CO 0.05 -1.62 1.41 0.98 -0.00 0.00 0.00 175.22 176.04 1pfu n TYR 251 N 4.82 2.68 -0.31 0.36 9.36 0.67 -4.58 117.16 130.17 1pfu n TYR 251 Ca 0.11 0.47 0.16 0.00 3.32 0.00 0.00 57.90 61.96 1pfu n TYR 251 Cb 0.45 -2.47 0.34 0.00 -0.63 0.00 0.00 39.34 37.03 1pfu n TYR 251 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 1pfu h VAL 252 N 2.62 0.28 0.00 2.97 3.04 -1.90 0.75 116.25 124.01 1pfu h VAL 252 Ca -0.49 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1pfu h VAL 252 Cb 1.26 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1pfu h VAL 252 CO 0.62 0.04 0.00 0.79 -1.01 0.00 0.00 177.57 178.01 1pfu n TRP 253 N -5.21 0.26 0.07 3.17 7.02 -1.26 -0.83 117.44 120.66 1pfu n TRP 253 Ca 0.24 0.10 -0.22 0.00 -1.02 0.00 0.00 57.50 56.61 1pfu n TRP 253 Cb 0.77 -0.66 -0.15 0.00 -2.42 0.00 0.00 31.31 28.85 1pfu n TRP 253 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1pfu h LEU 254 N 0.00 0.55 0.00 -0.99 7.12 -1.18 -3.37 115.31 117.44 1pfu h LEU 254 Ca 0.00 -0.93 0.00 0.00 0.13 0.00 0.00 57.88 57.08 1pfu h LEU 254 Cb 0.29 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 1pfu h LEU 254 CO 0.00 1.52 -0.72 -2.24 -0.13 0.00 0.00 178.44 176.87 1pfu h ASP 255 N -0.22 0.00 0.39 1.25 -0.00 -1.48 -3.38 116.42 112.98 1pfu h ASP 255 Ca -0.20 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.03 56.76 1pfu h ASP 255 Cb 1.81 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 41.12 1pfu h ASP 255 CO 0.17 0.03 -0.39 0.00 -0.00 0.00 0.00 179.24 179.05 1pfu h ALA 256 N 2.14 -0.85 -0.12 4.15 0.00 -1.14 -2.27 119.26 121.18 1pfu h ALA 256 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1pfu h ALA 256 Cb 0.93 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1pfu h ALA 256 CO 0.00 -1.01 -0.17 -1.00 0.00 0.00 0.00 179.25 177.07 1pfu h PRO 257 N -0.80 0.19 0.00 0.00 0.13 -1.77 0.54 132.00 130.29 1pfu h PRO 257 Ca -0.03 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1pfu h PRO 257 Cb 0.71 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1pfu h PRO 257 CO -0.06 0.36 -0.01 0.82 -0.23 0.00 0.00 178.00 178.88 1pfu h ILE 258 N 0.18 0.09 0.00 -3.56 2.04 -1.66 0.11 117.51 114.71 1pfu h ILE 258 Ca 0.03 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1pfu h ILE 258 Cb 0.41 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1pfu h ILE 258 CO 0.03 0.01 -0.05 1.23 0.00 0.00 0.00 178.15 179.36 1pfu h GLY 259 N 0.25 0.00 0.97 5.37 0.00 -0.31 0.66 103.07 110.01 1pfu h GLY 259 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1pfu h GLY 259 CO 0.00 0.00 0.08 -0.97 0.00 0.00 0.00 176.54 175.65 1pfu h TYR 260 N 0.00 0.82 -0.26 5.60 0.99 -0.88 -0.67 116.97 122.56 1pfu h TYR 260 Ca -0.00 -0.11 -0.11 0.00 2.00 0.00 0.00 58.73 60.50 1pfu h TYR 260 Cb 0.18 -0.22 -0.00 0.00 1.00 0.00 0.00 36.73 37.68 1pfu h TYR 260 CO 0.00 0.76 -0.27 0.52 -0.00 0.00 0.00 178.16 179.17 1pfu h MET 261 N 0.64 0.65 -0.68 4.88 2.86 -1.18 -2.95 114.93 119.15 1pfu h MET 261 Ca 0.14 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1pfu h MET 261 Cb 0.39 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1pfu h MET 261 CO 0.01 0.95 0.38 0.78 1.06 0.00 0.00 176.91 180.09 1pfu h GLY 262 N 0.38 1.00 1.33 8.32 0.00 -0.80 -0.10 103.07 113.20 1pfu h GLY 262 Ca 0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 1pfu h GLY 262 CO 0.07 0.41 -0.27 0.23 0.00 0.00 0.00 176.54 176.99 1pfu h SER 263 N 0.95 0.78 -0.27 0.19 0.87 -1.12 -1.13 113.55 113.82 1pfu h SER 263 Ca 0.24 -0.30 -0.18 0.00 -1.23 0.00 0.00 61.79 60.32 1pfu h SER 263 Cb 0.01 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.75 1pfu h SER 263 CO -0.04 1.01 -0.54 0.15 -0.53 0.00 0.00 176.83 176.87 1pfu h PHE 264 N 0.65 1.08 -0.68 2.24 3.57 -1.25 -1.69 116.94 120.87 1pfu h PHE 264 Ca 0.08 -0.38 -0.02 0.00 3.53 0.00 0.00 57.97 61.18 1pfu h PHE 264 Cb 0.78 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1pfu h PHE 264 CO 0.04 1.21 0.34 -0.22 -2.23 0.00 0.00 178.31 177.44 1pfu h LYS 265 N 0.66 0.98 -0.54 1.11 3.64 -0.91 -0.38 116.57 121.13 1pfu h LYS 265 Ca 0.02 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1pfu h LYS 265 Cb 1.15 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 1pfu h LYS 265 CO 0.12 0.77 0.32 -0.97 -2.27 0.00 0.00 179.45 177.41 1pfu h ASN 266 N 0.94 0.50 -0.18 4.20 -1.24 -1.06 0.46 115.58 119.20 1pfu h ASN 266 Ca 0.24 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.25 1pfu h ASN 266 Cb 0.10 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 1pfu h ASN 266 CO -0.03 0.35 0.09 0.25 -1.29 0.00 0.00 177.43 176.80 1pfu h LEU 267 N 0.62 0.22 -0.14 0.34 5.85 -0.75 -1.23 115.31 120.23 1pfu h LEU 267 Ca 0.22 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1pfu h LEU 267 Cb 0.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1pfu h LEU 267 CO -0.11 0.26 0.05 0.00 -0.34 0.00 0.00 178.44 178.30 1pfu h ASP 269 N 0.12 0.69 0.03 0.00 3.32 -0.78 -1.31 116.42 118.48 1pfu h ASP 269 Ca 0.06 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1pfu h ASP 269 Cb 0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1pfu h ASP 269 CO -0.06 0.47 -0.12 0.11 -1.72 0.00 0.00 179.24 177.92 1pfu h LYS 270 N 0.82 0.21 0.00 3.56 1.57 -0.94 -1.94 116.57 119.85 1pfu h LYS 270 Ca 0.29 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1pfu h LYS 270 Cb 0.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1pfu h LYS 270 CO -0.13 0.34 -0.04 0.54 -0.57 0.00 0.00 179.45 179.58 1pfu n ARG 271 N -4.30 0.00 -1.18 3.15 1.74 -0.67 -4.90 116.66 110.51 1pfu n ARG 271 Ca -0.01 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 1pfu n ARG 271 Cb 0.25 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 1pfu n ARG 271 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pfu n GLY 272 N 1.50 0.79 3.54 -0.13 0.00 -0.70 -4.99 105.19 105.20 1pfu n GLY 272 Ca 0.07 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1pfu n GLY 272 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pfu s ASP 273 N -2.94 6.37 0.00 1.61 -1.08 -0.58 -4.94 116.67 115.10 1pfu s ASP 273 Ca 0.00 -0.17 0.23 0.00 -0.52 0.00 0.00 52.55 52.09 1pfu s ASP 273 Cb 0.00 -2.33 0.57 0.00 -1.46 0.00 0.00 42.92 39.69 1pfu s ASP 273 CO 0.00 -0.76 1.49 -1.54 0.52 0.00 0.00 175.17 174.88 1pfu n SER 274 N 6.29 3.80 0.00 -0.34 3.41 -1.26 -4.35 113.62 121.17 1pfu n SER 274 Ca -0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1pfu n SER 274 Cb 0.48 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1pfu n SER 274 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1pfu n VAL 275 N 1.62 0.00 0.07 -3.33 0.24 -1.26 -4.83 118.33 110.84 1pfu n VAL 275 Ca 0.23 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.54 1pfu n VAL 275 Cb 0.62 -0.55 0.34 0.00 -1.47 0.00 0.00 33.84 32.79 1pfu n VAL 275 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1pfu h SER 276 N 0.00 0.34 0.07 -1.34 0.02 -1.99 -2.44 113.55 108.21 1pfu h SER 276 Ca 0.00 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1pfu h SER 276 Cb 0.68 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1pfu h SER 276 CO 0.00 0.47 -0.11 0.15 -1.14 0.00 0.00 176.83 176.21 1pfu h PHE 277 N 0.35 -0.27 -0.52 3.45 3.57 -1.88 -1.12 116.94 120.52 1pfu h PHE 277 Ca 0.07 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1pfu h PHE 277 Cb 0.37 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1pfu h PHE 277 CO 0.01 -0.16 0.05 -0.44 -2.23 0.00 0.00 178.31 175.54 1pfu h ASP 278 N -0.21 0.80 0.14 0.41 3.32 -1.89 -0.32 116.42 118.67 1pfu h ASP 278 Ca 0.02 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1pfu h ASP 278 Cb 0.23 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1pfu h ASP 278 CO -0.06 0.84 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.88 1pfu h GLU 279 N 0.80 0.00 0.01 3.56 5.08 -0.95 -0.45 114.58 122.63 1pfu h GLU 279 Ca 0.16 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.19 1pfu h GLU 279 Cb 0.40 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1pfu h GLU 279 CO 0.01 0.09 -1.99 0.66 -1.00 0.00 0.00 179.01 176.78 1pfu n TYR 280 N -4.10 0.66 0.60 4.33 4.02 -0.47 -4.31 117.16 117.90 1pfu n TYR 280 Ca -0.03 0.22 0.06 0.00 -0.01 0.00 0.00 57.90 58.15 1pfu n TYR 280 Cb 0.17 -1.12 -0.07 0.00 -0.02 0.00 0.00 39.34 38.31 1pfu n TYR 280 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1pfu n TRP 281 N -3.02 0.00 -1.61 -0.72 7.02 -0.17 -4.86 117.44 114.08 1pfu n TRP 281 Ca -0.25 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 55.89 1pfu n TRP 281 Cb 1.08 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 30.04 1pfu n TRP 281 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1pfu s LYS 282 N -2.19 2.45 0.41 -0.99 -2.85 -0.19 -1.68 119.74 114.70 1pfu s LYS 282 Ca 0.05 1.65 0.12 0.00 -1.00 0.00 0.00 55.97 56.79 1pfu s LYS 282 Cb 0.10 -1.88 0.95 0.00 -2.06 0.00 0.00 37.83 34.93 1pfu s LYS 282 CO 0.52 -1.57 1.95 -0.22 0.10 0.00 0.00 175.35 176.13 1pfu h LYS 283 N -0.04 0.50 -0.72 1.78 3.64 -1.86 -2.12 116.57 117.75 1pfu h LYS 283 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1pfu h LYS 283 Cb 1.28 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1pfu h LYS 283 CO 0.52 0.33 0.00 -0.40 -2.27 0.00 0.00 179.45 177.63 1pfu n ASP 284 N -4.48 3.45 -4.78 4.20 5.75 -1.26 -4.75 116.55 114.68 1pfu n ASP 284 Ca 0.11 -2.45 -0.41 0.00 -0.01 0.00 0.00 54.79 52.04 1pfu n ASP 284 Cb 0.38 -0.56 0.01 0.00 -1.03 0.00 0.00 41.12 39.91 1pfu n ASP 284 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1pfu s SER 285 N -0.50 6.17 0.00 -1.12 0.15 -0.79 -4.90 113.70 112.70 1pfu s SER 285 Ca 0.30 3.03 0.16 0.00 0.70 0.00 0.00 55.95 60.14 1pfu s SER 285 Cb 0.22 -2.67 0.34 0.00 -1.71 0.00 0.00 66.02 62.20 1pfu s SER 285 CO 0.10 -0.99 1.25 0.35 1.20 0.00 0.00 173.24 175.15 1pfu n THR 286 N 0.23 0.67 -2.42 6.45 -2.24 -1.26 -4.97 114.28 110.74 1pfu n THR 286 Ca 0.02 -0.83 -0.28 0.00 -2.27 0.00 0.00 64.05 60.69 1pfu n THR 286 Cb 0.40 0.78 0.01 0.00 -2.10 0.00 0.00 70.33 69.41 1pfu n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pfu s ALA 287 N -1.11 3.31 -0.10 6.98 0.00 -1.26 -4.80 121.76 124.78 1pfu s ALA 287 Ca 0.29 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 1pfu s ALA 287 Cb 0.16 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 1pfu s ALA 287 CO 0.22 -0.49 0.03 -1.21 0.00 0.00 0.00 175.76 174.31 1pfu s GLU 288 N -4.88 3.10 -0.13 0.00 2.02 -0.02 -5.00 118.70 113.79 1pfu s GLU 288 Ca 0.50 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 55.14 1pfu s GLU 288 Cb -0.10 -2.87 0.02 0.00 0.10 0.00 0.00 34.13 31.27 1pfu s GLU 288 CO 0.47 0.70 -0.15 -1.17 0.02 0.00 0.00 175.26 175.13 1pfu s LEU 289 N -0.86 1.70 -0.02 1.80 2.96 -1.26 -0.75 118.68 122.25 1pfu s LEU 289 Ca 0.13 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1pfu s LEU 289 Cb -0.11 -1.13 -0.01 0.00 0.50 0.00 0.00 46.19 45.44 1pfu s LEU 289 CO 0.03 -0.02 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.60 1pfu s TYR 290 N 1.21 1.16 -0.18 5.38 1.51 -0.36 0.01 117.35 126.09 1pfu s TYR 290 Ca -0.01 -0.24 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1pfu s TYR 290 Cb -0.14 -0.76 0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1pfu s TYR 290 CO -0.06 -0.05 -0.19 -1.01 -1.11 0.00 0.00 175.55 173.14 1pfu s HIS 291 N -0.19 2.78 -0.22 2.71 3.76 -1.17 -1.70 115.29 121.27 1pfu s HIS 291 Ca 0.03 -1.54 -0.18 0.00 -0.15 0.00 0.00 55.06 53.22 1pfu s HIS 291 Cb -0.06 -1.92 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 1pfu s HIS 291 CO -0.00 -0.75 0.52 -0.06 -0.85 0.00 0.00 174.74 173.59 1pfu s PHE 292 N 1.22 3.34 0.18 1.40 0.40 -0.45 -1.29 117.98 122.78 1pfu s PHE 292 Ca 0.03 0.73 -0.04 0.00 -0.60 0.00 0.00 56.93 57.05 1pfu s PHE 292 Cb -0.14 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.68 1pfu s PHE 292 CO -0.10 -0.16 0.19 0.96 0.70 0.00 0.00 175.22 176.81 1pfu s ILE 293 N 1.84 0.04 0.37 0.64 -4.36 -0.72 -2.81 121.20 116.21 1pfu s ILE 293 Ca 0.23 -1.79 -0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1pfu s ILE 293 Cb -0.15 -2.23 -0.03 0.00 1.25 0.00 0.00 42.46 41.29 1pfu s ILE 293 CO 0.09 -0.16 0.60 -0.83 0.24 0.00 0.00 174.94 174.88 1pfu s GLY 294 N -3.08 1.37 0.61 6.27 0.00 -1.26 -1.98 107.32 109.25 1pfu s GLY 294 Ca 0.29 -0.83 0.38 0.00 0.00 0.00 0.00 44.72 44.57 1pfu s GLY 294 CO 0.07 -0.74 2.24 0.07 0.00 0.00 0.00 173.10 174.73 1pfu h LYS 295 N 0.64 0.00 0.00 2.90 2.10 -1.82 -2.70 116.57 117.69 1pfu h LYS 295 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1pfu h LYS 295 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1pfu h LYS 295 CO 0.61 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 177.83 1pfu n ASP 296 N -3.27 0.34 -0.43 7.07 8.00 -1.26 -3.40 116.55 123.60 1pfu n ASP 296 Ca -0.02 0.55 0.07 0.00 0.71 0.00 0.00 54.79 56.11 1pfu n ASP 296 Cb 0.14 -0.64 0.16 0.00 -0.02 0.00 0.00 41.12 40.77 1pfu n ASP 296 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1pfu n ILE 297 N -1.84 1.86 0.15 0.53 -5.35 -1.02 -4.71 119.36 108.98 1pfu n ILE 297 Ca 0.05 -2.58 0.02 0.00 -0.27 0.00 0.00 62.75 59.96 1pfu n ILE 297 Cb 0.29 -0.14 0.19 0.00 -1.74 0.00 0.00 39.64 38.24 1pfu n ILE 297 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1pfu h VAL 298 N 1.20 1.14 0.04 7.28 2.07 -1.65 -3.02 116.25 123.32 1pfu h VAL 298 Ca -0.01 -2.03 -0.00 0.00 0.82 0.00 0.00 66.70 65.48 1pfu h VAL 298 Cb 1.07 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1pfu h VAL 298 CO 0.01 0.53 -0.02 0.22 0.02 0.00 0.00 177.57 178.32 1pfu h TYR 299 N 0.00 -0.05 -0.49 1.57 3.20 -1.85 -0.40 116.97 118.95 1pfu h TYR 299 Ca -0.01 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1pfu h TYR 299 Cb 1.13 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 1pfu h TYR 299 CO 0.00 0.11 0.31 0.74 -1.64 0.00 0.00 178.16 177.67 1pfu h PHE 300 N -0.20 0.58 0.00 -3.82 -1.00 -1.91 -2.09 116.94 108.50 1pfu h PHE 300 Ca -0.01 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.72 1pfu h PHE 300 Cb 0.18 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 1pfu h PHE 300 CO -0.03 0.35 -0.35 0.45 -1.61 0.00 0.00 178.31 177.12 1pfu h HIS 301 N 0.62 0.00 0.00 -0.55 3.86 -1.44 -0.84 115.15 116.81 1pfu h HIS 301 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1pfu h HIS 301 Cb -0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1pfu h HIS 301 CO -0.05 0.35 -1.50 -1.13 0.86 0.00 0.00 177.93 176.46 1pfu n SER 302 N -3.28 0.62 0.01 2.45 3.41 -0.17 -4.27 113.62 112.39 1pfu n SER 302 Ca 0.02 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 1pfu n SER 302 Cb 0.61 1.54 0.00 0.00 -0.26 0.00 0.00 64.21 66.09 1pfu n SER 302 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pfu n LEU 303 N -1.89 0.28 0.11 1.04 4.77 -0.79 -4.69 117.00 115.83 1pfu n LEU 303 Ca -0.01 0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 1pfu n LEU 303 Cb 0.43 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1pfu n LEU 303 CO 0.41 -0.57 0.73 -0.26 -1.33 0.00 0.00 177.39 176.38 1pfu h PHE 304 N 0.00 -0.53 0.40 -1.77 0.04 -1.59 -2.96 116.94 110.53 1pfu h PHE 304 Ca 0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1pfu h PHE 304 Cb 0.00 0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1pfu h PHE 304 CO 0.00 -0.29 -0.42 2.35 -0.60 0.00 0.00 178.31 179.35 1pfu h TRP 305 N -0.38 -1.14 -0.77 -0.55 -0.00 -1.39 0.12 115.95 111.84 1pfu h TRP 305 Ca 0.02 0.01 0.04 0.00 -0.00 0.00 0.00 58.89 58.97 1pfu h TRP 305 Cb 0.40 0.45 -0.04 0.00 -0.00 0.00 0.00 29.16 29.96 1pfu h TRP 305 CO -0.19 -0.57 0.50 -1.35 -0.00 0.00 0.00 178.44 176.83 1pfu h PRO 306 N -0.84 0.88 -0.21 2.65 0.11 -1.74 -1.58 132.00 131.27 1pfu h PRO 306 Ca -0.03 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1pfu h PRO 306 Cb 0.75 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1pfu h PRO 306 CO -0.08 0.58 0.06 0.00 -0.21 0.00 0.00 178.00 178.36 1pfu h ALA 307 N 1.56 0.28 -0.56 -0.75 0.00 -1.32 -1.42 119.26 117.06 1pfu h ALA 307 Ca 0.31 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1pfu h ALA 307 Cb 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1pfu h ALA 307 CO -0.10 -0.10 0.27 0.52 0.00 0.00 0.00 179.25 179.85 1pfu h MET 308 N 0.17 0.50 -0.19 0.00 2.86 -0.14 -1.09 114.93 117.03 1pfu h MET 308 Ca 0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1pfu h MET 308 Cb 0.24 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1pfu h MET 308 CO -0.00 0.33 0.06 -0.07 1.06 0.00 0.00 176.91 178.29 1pfu h LEU 309 N 0.51 0.28 -0.42 1.22 3.38 -1.18 -2.35 115.31 116.76 1pfu h LEU 309 Ca 0.26 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1pfu h LEU 309 Cb 0.19 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1pfu h LEU 309 CO -0.19 0.40 0.14 -0.08 0.09 0.00 0.00 178.44 178.79 1pfu h GLU 310 N 0.14 0.29 0.00 1.13 4.57 -0.96 -0.14 114.58 119.62 1pfu h GLU 310 Ca 0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1pfu h GLU 310 Cb 0.21 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1pfu h GLU 310 CO -0.00 0.19 0.00 0.41 -1.18 0.00 0.00 179.01 178.43 1pfu n GLY 311 N -1.24 -1.29 0.71 1.92 0.00 -0.44 -2.45 105.19 102.41 1pfu n GLY 311 Ca 0.03 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1pfu n GLY 311 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pfu n SER 312 N -2.29 3.37 -3.15 1.61 3.41 -0.75 -4.25 113.62 111.58 1pfu n SER 312 Ca 0.02 -2.62 -0.21 0.00 -0.26 0.00 0.00 58.87 55.80 1pfu n SER 312 Cb 0.23 -0.40 0.07 0.00 -0.26 0.00 0.00 64.21 63.84 1pfu n SER 312 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pfu n ASN 313 N -0.21 -5.78 -4.51 4.04 4.05 -0.79 -5.00 115.26 107.06 1pfu n ASN 313 Ca 0.17 -0.46 -0.25 0.00 0.45 0.00 0.00 54.58 54.49 1pfu n ASN 313 Cb 0.69 -4.40 -0.10 0.00 1.23 0.00 0.00 39.78 37.20 1pfu n ASN 313 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1pfu s PHE 314 N -3.27 2.36 0.73 1.20 0.40 -0.14 -4.23 117.98 115.02 1pfu s PHE 314 Ca 0.50 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 56.32 1pfu s PHE 314 Cb -0.22 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.16 1pfu s PHE 314 CO 0.62 0.65 1.08 -0.98 0.70 0.00 0.00 175.22 177.29 1pfu s ARG 315 N -3.56 2.64 0.32 0.44 1.04 -0.68 -4.06 118.95 115.10 1pfu s ARG 315 Ca 0.31 1.07 0.07 0.00 -1.04 0.00 0.00 55.73 56.14 1pfu s ARG 315 Cb -0.02 -1.95 -0.02 0.00 -2.04 0.00 0.00 34.95 30.92 1pfu s ARG 315 CO 0.16 -1.34 0.33 0.15 -0.04 0.00 0.00 175.30 174.56 1pfu s LYS 316 N -4.93 2.86 0.34 3.89 1.02 -1.26 -4.83 119.74 116.84 1pfu s LYS 316 Ca 0.60 -1.19 -0.28 0.00 0.02 0.00 0.00 55.97 55.12 1pfu s LYS 316 Cb -0.16 -2.58 -0.12 0.00 -0.52 0.00 0.00 37.83 34.45 1pfu s LYS 316 CO 0.55 0.13 1.28 -2.30 -0.92 0.00 0.00 175.35 174.08 1pfu n PRO 317 N -1.42 2.10 -0.08 -1.68 -0.02 -1.26 -4.86 135.00 127.78 1pfu n PRO 317 Ca -0.02 0.74 -0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1pfu n PRO 317 Cb 0.59 -2.31 0.05 0.00 -0.02 0.00 0.00 33.50 31.81 1pfu n PRO 317 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1pfu h SER 318 N 2.56 0.81 -4.81 2.55 0.02 -0.80 -3.47 113.55 110.41 1pfu h SER 318 Ca -0.46 -0.34 0.11 0.00 -0.84 0.00 0.00 61.79 60.26 1pfu h SER 318 Cb 1.28 -0.23 -0.13 0.00 0.14 0.00 0.00 62.40 63.46 1pfu h SER 318 CO 0.63 1.08 0.47 0.21 -1.14 0.00 0.00 176.83 178.07 1pfu s ASN 319 N -6.81 -0.34 -0.12 3.07 3.84 -1.13 -4.97 114.94 108.48 1pfu s ASN 319 Ca -0.09 -0.09 0.02 0.00 0.21 0.00 0.00 52.86 52.91 1pfu s ASN 319 Cb 0.12 0.42 -0.01 0.00 -0.55 0.00 0.00 41.25 41.24 1pfu s ASN 319 CO 0.85 -0.71 -0.18 -0.76 -2.79 0.00 0.00 177.10 173.51 1pfu s LEU 320 N -2.60 2.41 -0.41 3.21 1.43 -1.26 -3.03 118.68 118.43 1pfu s LEU 320 Ca 0.06 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1pfu s LEU 320 Cb -0.01 -1.52 0.10 0.00 0.03 0.00 0.00 46.19 44.79 1pfu s LEU 320 CO -0.07 0.15 0.23 -0.36 0.23 0.00 0.00 176.35 176.53 1pfu s PHE 321 N 0.42 3.46 -0.07 0.29 2.99 -0.41 -4.62 117.98 120.03 1pfu s PHE 321 Ca -0.13 -2.03 -0.08 0.00 0.00 0.00 0.00 56.93 54.69 1pfu s PHE 321 Cb -0.17 -3.10 -0.04 0.00 0.00 0.00 0.00 43.02 39.71 1pfu s PHE 321 CO 0.06 -0.93 0.20 0.08 -0.00 0.00 0.00 175.22 174.64 1pfu s VAL 322 N 1.27 5.40 0.24 -0.44 1.01 -1.26 -1.75 120.40 124.87 1pfu s VAL 322 Ca 0.05 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.37 1pfu s VAL 322 Cb -0.23 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1pfu s VAL 322 CO -0.02 0.55 -0.08 -1.38 0.00 0.00 0.00 175.10 174.18 1pfu s HIS 323 N -1.10 1.80 0.00 5.22 -3.43 -0.84 -4.35 115.29 112.60 1pfu s HIS 323 Ca 0.19 -0.68 0.00 0.00 -0.80 0.00 0.00 55.06 53.77 1pfu s HIS 323 Cb -0.13 -0.97 0.00 0.00 -1.43 0.00 0.00 32.58 30.06 1pfu s HIS 323 CO 0.08 0.26 0.00 0.41 -2.00 0.00 0.00 174.74 173.50 1pfu n GLY 324 N -0.48 -0.01 3.92 -1.38 0.00 -1.01 -2.64 105.19 103.58 1pfu n GLY 324 Ca -0.06 -1.82 -0.26 0.00 0.00 0.00 0.00 46.02 43.87 1pfu n GLY 324 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pfu s TYR 325 N -0.11 3.10 -0.12 1.61 4.12 -1.26 -4.76 117.35 119.93 1pfu s TYR 325 Ca 0.00 0.55 -0.05 0.00 0.02 0.00 0.00 57.07 57.59 1pfu s TYR 325 Cb 0.00 -2.94 -0.04 0.00 -1.52 0.00 0.00 41.96 37.46 1pfu s TYR 325 CO 0.00 -1.08 0.06 0.08 0.02 0.00 0.00 175.55 174.63 1pfu s VAL 326 N -3.10 4.84 0.15 0.71 1.01 -1.26 -0.64 120.40 122.11 1pfu s VAL 326 Ca 0.57 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.59 1pfu s VAL 326 Cb -0.11 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1pfu s VAL 326 CO 0.45 0.58 -0.19 0.42 0.00 0.00 0.00 175.10 176.36 1pfu s THR 327 N -0.67 1.82 -0.16 3.92 -4.23 -0.36 -4.51 115.64 111.45 1pfu s THR 327 Ca 0.12 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1pfu s THR 327 Cb -0.12 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 71.95 1pfu s THR 327 CO 0.02 -0.24 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.99 1pfu s VAL 328 N -1.82 1.87 -1.45 2.29 1.01 0.08 -0.20 120.40 122.19 1pfu s VAL 328 Ca 0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1pfu s VAL 328 Cb -0.07 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1pfu s VAL 328 CO 0.06 0.51 0.55 0.59 0.00 0.00 0.00 175.10 176.81 1pfu n ASN 329 N 4.62 -5.79 0.00 3.32 3.02 -0.47 -2.72 115.26 117.25 1pfu n ASN 329 Ca -0.19 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 1pfu n ASN 329 Cb 0.50 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 1pfu n ASN 329 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pfu n GLY 330 N -1.46 2.12 3.46 7.41 0.00 -1.26 -5.03 105.19 110.43 1pfu n GLY 330 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1pfu n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfu s ALA 331 N -2.82 2.52 0.57 4.61 0.00 -1.10 -5.01 121.76 120.53 1pfu s ALA 331 Ca 0.00 -1.96 -0.21 0.00 0.00 0.00 0.00 51.96 49.80 1pfu s ALA 331 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1pfu s ALA 331 CO 0.00 -0.03 1.25 1.17 0.00 0.00 0.00 175.76 178.15 1pfu n LYS 332 N -0.64 1.42 -1.65 0.00 4.81 -1.26 -0.74 118.16 120.10 1pfu n LYS 332 Ca -0.05 0.53 -0.46 0.00 -0.87 0.00 0.00 58.31 57.45 1pfu n LYS 332 Cb 0.63 -2.46 -0.03 0.00 0.02 0.00 0.00 35.03 33.19 1pfu n LYS 332 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1pfu n MET 333 N -1.10 1.81 -4.11 1.64 2.81 -1.26 -4.72 117.12 112.18 1pfu n MET 333 Ca 0.12 0.65 -0.33 0.00 -1.81 0.00 0.00 57.70 56.33 1pfu n MET 333 Cb 0.45 -2.29 -0.16 0.00 -0.71 0.00 0.00 33.22 30.51 1pfu n MET 333 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pfu s SER 334 N 0.36 3.13 0.14 7.83 0.15 -1.26 -4.77 113.70 119.28 1pfu s SER 334 Ca 0.72 -0.65 -0.16 0.00 0.70 0.00 0.00 55.95 56.56 1pfu s SER 334 Cb -0.72 -1.47 -0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1pfu s SER 334 CO 0.48 -0.01 1.75 0.11 1.20 0.00 0.00 173.24 176.77 1pfu h LYS 335 N 7.94 0.54 -0.12 5.44 1.57 -1.92 -0.80 116.57 129.23 1pfu h LYS 335 Ca -0.45 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 1pfu h LYS 335 Cb 1.14 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1pfu h LYS 335 CO 0.63 0.44 -0.06 0.66 -0.57 0.00 0.00 179.45 180.55 1pfu h SER 336 N 0.50 0.16 0.43 0.86 4.64 -1.95 -2.17 113.55 116.02 1pfu h SER 336 Ca 0.14 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1pfu h SER 336 Cb 0.06 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1pfu h SER 336 CO -0.02 0.25 -0.39 0.54 -0.87 0.00 0.00 176.83 176.33 1pfu n ARG 337 N -4.37 0.29 -0.99 4.77 1.74 -1.09 -4.95 116.66 112.06 1pfu n ARG 337 Ca -0.01 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1pfu n ARG 337 Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1pfu n ARG 337 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pfu n GLY 338 N 1.44 0.44 0.93 -0.13 0.00 -0.76 -4.88 105.19 102.23 1pfu n GLY 338 Ca 0.08 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.23 1pfu n GLY 338 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pfu n THR 339 N -2.98 0.07 -2.98 2.61 -2.24 -0.38 -4.53 114.28 103.85 1pfu n THR 339 Ca 0.00 -0.53 -0.44 0.00 -2.27 0.00 0.00 64.05 60.81 1pfu n THR 339 Cb 0.04 1.40 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 1pfu n THR 339 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1pfu s PHE 340 N -1.82 3.04 -0.20 4.78 5.36 -1.12 -4.33 117.98 123.68 1pfu s PHE 340 Ca 0.28 -1.15 -0.08 0.00 -0.96 0.00 0.00 56.93 55.02 1pfu s PHE 340 Cb 0.19 -4.20 -0.04 0.00 -0.34 0.00 0.00 43.02 38.63 1pfu s PHE 340 CO 0.28 -1.45 0.07 0.42 -1.46 0.00 0.00 175.22 173.08 1pfu s ILE 341 N 2.83 4.78 0.49 3.12 1.01 -1.26 -4.90 121.20 127.27 1pfu s ILE 341 Ca 0.25 -0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 1pfu s ILE 341 Cb -0.12 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.11 1pfu s ILE 341 CO -0.02 0.43 0.93 -0.54 0.00 0.00 0.00 174.94 175.75 1pfu s LYS 342 N 0.61 3.88 0.20 2.79 1.02 -1.26 -1.36 119.74 125.61 1pfu s LYS 342 Ca 0.04 0.81 -0.08 0.00 0.02 0.00 0.00 55.97 56.76 1pfu s LYS 342 Cb -0.13 -2.20 0.12 0.00 -0.52 0.00 0.00 37.83 35.10 1pfu s LYS 342 CO 0.01 -0.23 1.68 0.00 -0.92 0.00 0.00 175.35 175.89 1pfu h ALA 343 N 0.90 0.91 -0.59 5.17 0.00 -1.20 -1.93 119.26 122.51 1pfu h ALA 343 Ca -0.47 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 1pfu h ALA 343 Cb 1.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1pfu h ALA 343 CO 0.62 0.66 0.26 0.66 0.00 0.00 0.00 179.25 181.45 1pfu h SER 344 N 1.00 0.80 -0.55 0.00 4.64 -1.94 -2.84 113.55 114.66 1pfu h SER 344 Ca 0.19 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1pfu h SER 344 Cb 0.48 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1pfu h SER 344 CO 0.02 0.74 0.15 0.74 -0.87 0.00 0.00 176.83 177.61 1pfu h THR 345 N 0.81 1.24 -0.69 2.95 2.02 -1.90 -2.96 112.91 114.38 1pfu h THR 345 Ca 0.20 -0.84 0.09 0.00 0.77 0.00 0.00 66.41 66.64 1pfu h THR 345 Cb 0.17 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 1pfu h THR 345 CO -0.02 0.31 0.33 -0.25 0.37 0.00 0.00 175.52 176.26 1pfu h TRP 346 N 0.77 0.59 0.00 3.16 2.91 -1.15 -1.37 115.95 120.86 1pfu h TRP 346 Ca 0.18 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.22 1pfu h TRP 346 Cb 0.31 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1pfu h TRP 346 CO 0.02 0.20 0.00 -0.07 -1.03 0.00 0.00 178.44 177.56 1pfu h LEU 347 N 0.56 0.00 -0.33 0.65 3.38 -1.34 0.82 115.31 119.06 1pfu h LEU 347 Ca 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 1pfu h LEU 347 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1pfu h LEU 347 CO -0.28 0.00 -0.18 0.78 0.09 0.00 0.00 178.44 178.85 1pfu h ASN 348 N 0.00 0.00 0.00 -0.43 -0.26 -1.25 -3.37 115.58 110.27 1pfu h ASN 348 Ca 0.00 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.50 1pfu h ASN 348 Cb 0.24 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.46 1pfu h ASN 348 CO 0.00 0.18 -1.90 1.41 -1.06 0.00 0.00 177.43 176.07 1pfu n HIS 349 N -3.18 0.00 -4.40 1.19 8.25 -0.61 -5.08 115.22 111.39 1pfu n HIS 349 Ca 0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.29 1pfu n HIS 349 Cb 0.55 -0.61 -0.10 0.00 1.12 0.00 0.00 29.99 30.96 1pfu n HIS 349 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1pfu s PHE 350 N -2.31 1.74 0.66 4.41 0.40 0.18 -5.05 117.98 118.01 1pfu s PHE 350 Ca -0.21 -1.13 -0.01 0.00 -0.60 0.00 0.00 56.93 54.97 1pfu s PHE 350 Cb 0.05 -1.08 0.08 0.00 0.51 0.00 0.00 43.02 42.59 1pfu s PHE 350 CO 0.36 -0.22 0.92 0.16 0.70 0.00 0.00 175.22 177.15 1pfu s ASP 351 N -3.43 4.75 0.10 1.36 -4.77 -1.26 -4.12 116.67 109.29 1pfu s ASP 351 Ca 0.35 -0.07 -0.14 0.00 -3.30 0.00 0.00 52.55 49.39 1pfu s ASP 351 Cb 0.07 -0.54 -0.12 0.00 -1.09 0.00 0.00 42.92 41.24 1pfu s ASP 351 CO 0.15 -1.56 1.35 0.00 0.70 0.00 0.00 175.17 175.81 1pfu h ALA 352 N -0.34 0.36 -0.89 2.11 0.00 -1.95 -3.29 119.26 115.26 1pfu h ALA 352 Ca -0.40 -0.49 0.14 0.00 0.00 0.00 0.00 54.91 54.16 1pfu h ALA 352 Cb 1.29 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1pfu h ALA 352 CO 0.48 0.54 0.57 -0.44 0.00 0.00 0.00 179.25 180.41 1pfu h ASP 353 N 0.46 0.65 -0.06 0.00 3.32 -1.93 -1.56 116.42 117.31 1pfu h ASP 353 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1pfu h ASP 353 Cb 1.11 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 1pfu h ASP 353 CO 0.11 0.33 0.04 0.77 -1.72 0.00 0.00 179.24 178.77 1pfu h SER 354 N 0.69 0.07 -0.41 6.45 4.64 -1.97 0.31 113.55 123.33 1pfu h SER 354 Ca 0.45 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.62 1pfu h SER 354 Cb 0.73 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1pfu h SER 354 CO -0.21 0.05 -0.31 0.25 -0.87 0.00 0.00 176.83 175.74 1pfu h LEU 355 N 0.08 0.99 -0.43 5.97 5.85 -1.62 -1.96 115.31 124.18 1pfu h LEU 355 Ca 0.02 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.34 1pfu h LEU 355 Cb -0.01 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 1pfu h LEU 355 CO -0.00 1.22 0.19 0.03 -0.34 0.00 0.00 178.44 179.54 1pfu h ARG 356 N 0.76 0.38 -0.10 1.25 3.08 -1.10 -1.18 114.38 117.48 1pfu h ARG 356 Ca 0.08 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1pfu h ARG 356 Cb 0.90 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1pfu h ARG 356 CO 0.08 0.25 0.05 -0.92 -1.07 0.00 0.00 179.97 178.36 1pfu h TYR 357 N 0.39 0.14 -0.05 3.04 3.20 -0.84 -1.80 116.97 121.05 1pfu h TYR 357 Ca 0.19 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.06 1pfu h TYR 357 Cb 0.12 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1pfu h TYR 357 CO -0.12 0.20 -0.03 -0.92 -1.64 0.00 0.00 178.16 175.66 1pfu h TYR 358 N 0.04 -0.06 -0.46 -3.82 3.20 -1.06 -0.54 116.97 114.27 1pfu h TYR 358 Ca 0.03 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1pfu h TYR 358 Cb 0.12 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1pfu h TYR 358 CO -0.03 -0.04 0.30 1.88 -1.64 0.00 0.00 178.16 178.62 1pfu h TYR 359 N -0.02 0.56 -0.85 -3.82 0.99 -1.24 -2.77 116.97 109.81 1pfu h TYR 359 Ca 0.03 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1pfu h TYR 359 Cb 0.06 -0.19 -0.04 0.00 1.00 0.00 0.00 36.73 37.56 1pfu h TYR 359 CO -0.12 0.35 0.52 1.15 -0.00 0.00 0.00 178.16 180.06 1pfu h THR 360 N 0.60 1.23 0.00 -2.88 2.02 -1.02 -0.52 112.91 112.35 1pfu h THR 360 Ca 0.17 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1pfu h THR 360 Cb -0.06 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 1pfu h THR 360 CO -0.04 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.09 1pfu h ALA 361 N 1.40 1.00 0.00 6.16 0.00 -0.82 -2.96 119.26 124.04 1pfu h ALA 361 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1pfu h ALA 361 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1pfu h ALA 361 CO -0.06 0.00 -1.52 1.63 0.00 0.00 0.00 179.25 179.30 1pfu n LYS 362 N -3.01 0.77 -2.32 0.00 5.02 -0.74 -4.41 118.16 113.46 1pfu n LYS 362 Ca -0.00 -0.11 -0.35 0.00 -2.02 0.00 0.00 58.31 55.82 1pfu n LYS 362 Cb 0.23 -1.39 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 1pfu n LYS 362 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pfu s LEU 363 N -3.82 3.81 0.00 -0.35 1.43 -0.28 -4.82 118.68 114.65 1pfu s LEU 363 Ca -0.03 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.23 1pfu s LEU 363 Cb 0.12 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.80 1pfu s LEU 363 CO 0.73 -1.08 0.23 -1.54 0.23 0.00 0.00 176.35 174.92 1pfu n SER 364 N -1.11 -0.63 -0.24 2.29 3.41 -1.26 -0.29 113.62 115.78 1pfu n SER 364 Ca 0.11 -2.26 0.15 0.00 -0.26 0.00 0.00 58.87 56.60 1pfu n SER 364 Cb 0.51 1.29 0.74 0.00 -0.26 0.00 0.00 64.21 66.48 1pfu n SER 364 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pfu n SER 365 N -2.02 0.75 -4.92 4.04 3.41 -1.19 -4.78 113.62 108.92 1pfu n SER 365 Ca 0.03 -1.25 -0.20 0.00 -0.26 0.00 0.00 58.87 57.18 1pfu n SER 365 Cb 0.37 -0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1pfu n SER 365 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pfu s ARG 366 N -2.00 2.34 -0.08 4.33 0.52 -1.26 -4.95 118.95 117.85 1pfu s ARG 366 Ca 0.43 -1.15 0.15 0.00 -0.52 0.00 0.00 55.73 54.64 1pfu s ARG 366 Cb 0.21 -2.54 0.55 0.00 0.52 0.00 0.00 34.95 33.70 1pfu s ARG 366 CO 0.35 -0.83 1.43 0.44 0.02 0.00 0.00 175.30 176.72 1pfu n ILE 367 N -2.34 1.32 -1.79 1.52 -5.35 -1.26 -4.64 119.36 106.82 1pfu n ILE 367 Ca 0.11 -0.89 -0.37 0.00 -0.27 0.00 0.00 62.75 61.34 1pfu n ILE 367 Cb 0.60 0.08 0.06 0.00 -1.74 0.00 0.00 39.64 38.64 1pfu n ILE 367 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1pfu s ASP 368 N -0.83 4.77 0.58 7.28 -0.00 -1.26 -2.40 116.67 124.81 1pfu s ASP 368 Ca 0.40 2.61 -0.19 0.00 -0.00 0.00 0.00 52.55 55.36 1pfu s ASP 368 Cb 0.25 -2.62 -0.04 0.00 -0.00 0.00 0.00 42.92 40.51 1pfu s ASP 368 CO 0.20 -1.89 1.20 -1.81 -0.00 0.00 0.00 175.17 172.87 1pfu s ASP 369 N -1.37 5.29 -0.18 0.27 -0.00 -1.26 -3.39 116.67 116.03 1pfu s ASP 369 Ca 0.81 2.37 -0.04 0.00 -0.00 0.00 0.00 52.55 55.69 1pfu s ASP 369 Cb -0.37 -2.60 -0.02 0.00 -0.00 0.00 0.00 42.92 39.93 1pfu s ASP 369 CO 0.40 -1.53 -0.02 -0.63 -0.00 0.00 0.00 175.17 173.39 1pfu s ILE 370 N -1.60 3.89 -0.20 0.77 -1.09 0.19 -4.92 121.20 118.24 1pfu s ILE 370 Ca 0.76 -0.35 -0.07 0.00 -2.23 0.00 0.00 60.65 58.77 1pfu s ILE 370 Cb -0.30 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.81 1pfu s ILE 370 CO 0.33 0.46 0.06 -0.62 -1.23 0.00 0.00 174.94 173.94 1pfu s ASP 371 N 0.71 5.47 -0.75 3.58 3.68 -1.26 -1.22 116.67 126.87 1pfu s ASP 371 Ca -0.01 -0.00 -0.15 0.00 2.13 0.00 0.00 52.55 54.51 1pfu s ASP 371 Cb -0.14 -1.95 0.18 0.00 -1.45 0.00 0.00 42.92 39.56 1pfu s ASP 371 CO 0.02 0.12 0.74 -0.22 0.13 0.00 0.00 175.17 175.96 1pfu s LEU 372 N 0.70 6.37 -0.44 -1.34 2.96 0.72 -4.95 118.68 122.71 1pfu s LEU 372 Ca 0.03 -2.33 -0.24 0.00 -0.22 0.00 0.00 54.13 51.37 1pfu s LEU 372 Cb -0.13 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.35 1pfu s LEU 372 CO 0.02 -0.72 0.81 0.21 -1.32 0.00 0.00 176.35 175.35 1pfu s ASN 373 N 2.73 6.45 0.28 3.68 3.84 -1.26 -1.36 114.94 129.30 1pfu s ASN 373 Ca 0.15 0.01 0.00 0.00 0.21 0.00 0.00 52.86 53.24 1pfu s ASN 373 Cb -0.15 -2.40 0.52 0.00 -0.55 0.00 0.00 41.25 38.67 1pfu s ASN 373 CO -0.05 -0.91 1.85 -0.07 -2.79 0.00 0.00 177.10 175.12 1pfu h LEU 374 N 10.16 0.96 -0.37 3.21 3.38 -1.95 0.14 115.31 130.83 1pfu h LEU 374 Ca -0.25 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1pfu h LEU 374 Cb 1.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1pfu h LEU 374 CO 0.97 0.54 0.16 -0.33 0.09 0.00 0.00 178.44 179.86 1pfu h GLU 375 N 1.04 0.55 -0.00 1.13 4.39 -2.01 -2.67 114.58 117.00 1pfu h GLU 375 Ca 0.48 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 60.01 1pfu h GLU 375 Cb 0.41 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1pfu h GLU 375 CO -0.24 0.51 -0.40 0.22 -1.16 0.00 0.00 179.01 177.93 1pfu h ASP 376 N 0.46 0.01 -0.09 1.42 3.58 -1.72 -2.84 116.42 117.23 1pfu h ASP 376 Ca 0.13 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1pfu h ASP 376 Cb 0.16 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 1pfu h ASP 376 CO -0.01 0.41 0.05 0.15 -2.88 0.00 0.00 179.24 176.96 1pfu h PHE 377 N 0.01 0.11 -0.31 0.28 3.57 -0.44 0.14 116.94 120.30 1pfu h PHE 377 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1pfu h PHE 377 Cb 0.71 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1pfu h PHE 377 CO 0.00 0.09 0.17 0.28 -2.23 0.00 0.00 178.31 176.62 1pfu h VAL 378 N 0.10 1.13 -0.39 1.41 2.07 -1.37 -1.77 116.25 117.42 1pfu h VAL 378 Ca 0.03 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1pfu h VAL 378 Cb 0.01 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1pfu h VAL 378 CO -0.01 0.13 0.13 1.56 0.02 0.00 0.00 177.57 179.41 1pfu h GLN 379 N 0.38 0.60 -0.43 1.57 1.08 -1.32 -2.53 115.11 114.47 1pfu h GLN 379 Ca 0.11 -0.12 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 1pfu h GLN 379 Cb 0.05 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1pfu h GLN 379 CO -0.02 0.59 -0.10 0.00 -0.95 0.00 0.00 178.83 178.36 1pfu h ARG 380 N 0.49 0.82 -0.04 1.46 2.47 -0.65 -1.10 114.38 117.85 1pfu h ARG 380 Ca 0.13 -0.31 -0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1pfu h ARG 380 Cb 0.23 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1pfu h ARG 380 CO -0.01 0.94 0.01 0.28 0.56 0.00 0.00 179.97 181.76 1pfu h VAL 381 N 0.65 1.14 -0.67 2.04 2.07 -1.33 -0.50 116.25 119.65 1pfu h VAL 381 Ca 0.11 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1pfu h VAL 381 Cb 0.63 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1pfu h VAL 381 CO 0.04 0.11 0.26 0.78 0.02 0.00 0.00 177.57 178.79 1pfu h ASN 382 N -0.11 0.93 -0.18 0.57 2.35 -1.45 -1.10 115.58 116.59 1pfu h ASN 382 Ca 0.01 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.51 1pfu h ASN 382 Cb 0.17 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1pfu h ASN 382 CO -0.00 0.85 -0.19 0.00 -1.65 0.00 0.00 177.43 176.44 1pfu h ALA 383 N 1.12 0.27 0.00 -0.83 0.00 -1.13 -0.89 119.26 117.80 1pfu h ALA 383 Ca 0.22 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1pfu h ALA 383 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1pfu h ALA 383 CO -0.02 0.20 -0.56 -0.44 0.00 0.00 0.00 179.25 178.43 1pfu h ASP 384 N 0.12 0.00 0.26 0.00 3.32 -1.10 -2.90 116.42 116.11 1pfu h ASP 384 Ca 0.03 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 1pfu h ASP 384 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1pfu h ASP 384 CO 0.05 1.08 -0.12 0.40 -1.72 0.00 0.00 179.24 178.92 1pfu h ILE 385 N -1.00 0.19 -0.12 0.35 2.04 -1.36 -2.27 117.51 115.34 1pfu h ILE 385 Ca -0.13 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1pfu h ILE 385 Cb 0.90 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1pfu h ILE 385 CO -0.08 0.05 -0.04 0.58 0.00 0.00 0.00 178.15 178.66 1pfu h VAL 386 N -1.06 1.30 0.00 1.67 2.07 -1.52 0.21 116.25 118.93 1pfu h VAL 386 Ca -0.04 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1pfu h VAL 386 Cb 0.35 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1pfu h VAL 386 CO 0.06 0.29 -0.72 0.59 0.02 0.00 0.00 177.57 177.80 1pfu n ASN 387 N -4.73 0.66 -0.05 0.57 4.13 -0.34 -2.23 115.26 113.26 1pfu n ASN 387 Ca -0.06 -0.45 -0.12 0.00 1.68 0.00 0.00 54.58 55.63 1pfu n ASN 387 Cb 0.26 0.54 -0.04 0.00 -1.54 0.00 0.00 39.78 39.00 1pfu n ASN 387 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1pfu n LYS 388 N -1.58 0.27 -0.04 3.52 5.02 -1.10 -4.62 118.16 119.63 1pfu n LYS 388 Ca 0.04 0.12 -0.02 0.00 -2.02 0.00 0.00 58.31 56.44 1pfu n LYS 388 Cb 0.35 -0.97 -0.01 0.00 -0.02 0.00 0.00 35.03 34.39 1pfu n LYS 388 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pfu h VAL 389 N -0.48 0.00 -0.45 -0.18 2.07 -1.40 -3.34 116.25 112.47 1pfu h VAL 389 Ca -0.25 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.55 1pfu h VAL 389 Cb 1.08 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1pfu h VAL 389 CO -0.15 0.00 0.30 0.58 0.02 0.00 0.00 177.57 178.32 1pfu h VAL 390 N -0.75 1.07 -0.73 2.57 2.07 -1.10 -1.65 116.25 117.73 1pfu h VAL 390 Ca 0.00 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.42 1pfu h VAL 390 Cb 0.17 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1pfu h VAL 390 CO 0.00 0.10 0.48 -1.13 0.02 0.00 0.00 177.57 177.03 1pfu h ASN 391 N 0.53 0.60 -0.39 0.57 -0.73 -1.64 -0.88 115.58 113.65 1pfu h ASN 391 Ca 0.18 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.38 1pfu h ASN 391 Cb 0.05 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.51 1pfu h ASN 391 CO -0.04 0.37 0.26 0.25 -0.37 0.00 0.00 177.43 177.89 1pfu h LEU 392 N 0.67 0.38 0.00 0.34 5.85 -1.41 -1.23 115.31 119.91 1pfu h LEU 392 Ca 0.33 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.91 1pfu h LEU 392 Cb 0.40 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1pfu h LEU 392 CO -0.11 0.26 -0.78 0.00 -0.34 0.00 0.00 178.44 177.47 1pfu h ALA 393 N 1.77 0.15 -0.71 1.25 0.00 -1.30 -3.36 119.26 117.06 1pfu h ALA 393 Ca 0.16 -0.86 0.06 0.00 0.00 0.00 0.00 54.91 54.27 1pfu h ALA 393 Cb 0.08 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1pfu h ALA 393 CO -0.04 0.48 0.47 0.66 0.00 0.00 0.00 179.25 180.82 1pfu h SER 394 N -1.00 0.66 1.13 0.00 4.64 -1.24 0.64 113.55 118.38 1pfu h SER 394 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1pfu h SER 394 Cb 1.01 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1pfu h SER 394 CO -0.12 0.43 0.00 0.08 -0.87 0.00 0.00 176.83 176.35 1pfu h ARG 395 N 0.75 0.00 0.00 4.77 0.11 -1.42 -3.35 114.38 115.24 1pfu h ARG 395 Ca 0.30 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.28 1pfu h ARG 395 Cb 0.23 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.29 1pfu h ARG 395 CO -0.10 0.00 -1.46 0.09 0.10 0.00 0.00 179.97 178.61 1pfu n ASN 396 N -2.30 3.27 -0.10 0.08 3.02 -0.74 -4.72 115.26 113.78 1pfu n ASN 396 Ca 0.04 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1pfu n ASN 396 Cb 0.34 0.80 0.27 0.00 -0.61 0.00 0.00 39.78 40.58 1pfu n ASN 396 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pfu h ALA 397 N 0.41 1.41 -0.17 5.41 0.00 -1.03 -3.10 119.26 122.19 1pfu h ALA 397 Ca -0.15 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1pfu h ALA 397 Cb 1.22 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1pfu h ALA 397 CO 0.01 0.45 -0.07 0.78 0.00 0.00 0.00 179.25 180.43 1pfu h GLY 398 N 0.87 0.10 1.03 0.00 0.00 -1.83 -0.96 103.07 102.27 1pfu h GLY 398 Ca 0.18 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 1pfu h GLY 398 CO -0.02 -0.09 0.39 0.74 0.00 0.00 0.00 176.54 177.56 1pfu h PHE 399 N -0.04 1.15 -0.31 5.60 0.05 -1.85 -0.66 116.94 120.88 1pfu h PHE 399 Ca 0.09 -0.05 -0.04 0.00 3.82 0.00 0.00 57.97 61.79 1pfu h PHE 399 Cb 0.17 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 37.75 1pfu h PHE 399 CO -0.22 0.83 0.05 0.82 -0.18 0.00 0.00 178.31 179.62 1pfu h ILE 400 N 1.13 1.23 -0.26 -0.55 1.08 -1.42 0.13 117.51 118.84 1pfu h ILE 400 Ca 0.27 -0.79 -0.17 0.00 -0.39 0.00 0.00 64.86 63.78 1pfu h ILE 400 Cb 0.11 1.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1pfu h ILE 400 CO -0.03 0.26 -0.51 0.78 -0.69 0.00 0.00 178.15 177.96 1pfu h ASN 401 N 0.34 0.81 0.39 1.72 2.35 -1.04 0.08 115.58 120.22 1pfu h ASN 401 Ca 0.09 -0.42 -0.32 0.00 -0.55 0.00 0.00 56.30 55.11 1pfu h ASN 401 Cb 0.34 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1pfu h ASN 401 CO 0.01 1.17 -1.65 0.11 -1.65 0.00 0.00 177.43 175.42 1pfu h LYS 402 N 0.58 0.23 0.00 0.81 1.57 -1.11 -3.27 116.57 115.37 1pfu h LYS 402 Ca 0.02 -0.39 -0.18 0.00 -1.87 0.00 0.00 60.65 58.23 1pfu h LYS 402 Cb 1.08 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 1pfu h LYS 402 CO 0.11 1.06 -1.93 0.54 -0.57 0.00 0.00 179.45 178.66 1pfu n ARG 403 N -3.41 0.66 -0.75 3.15 5.12 0.43 -4.60 116.66 117.26 1pfu n ARG 403 Ca -0.20 0.01 0.05 0.00 -1.93 0.00 0.00 57.85 55.79 1pfu n ARG 403 Cb 1.05 -1.62 0.12 0.00 -1.16 0.00 0.00 32.46 30.85 1pfu n ARG 403 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1pfu n PHE 404 N -2.64 0.00 -3.11 -1.55 3.01 -0.71 -5.00 117.46 107.45 1pfu n PHE 404 Ca -0.16 -0.96 -0.21 0.00 1.01 0.00 0.00 57.45 57.13 1pfu n PHE 404 Cb 0.86 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 40.15 1pfu n PHE 404 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1pfu n ASP 405 N -0.60 -4.29 -0.08 4.37 8.00 -1.09 -1.40 116.55 121.46 1pfu n ASP 405 Ca 0.13 -0.26 -0.01 0.00 0.71 0.00 0.00 54.79 55.36 1pfu n ASP 405 Cb 0.81 -3.54 -0.00 0.00 -0.02 0.00 0.00 41.12 38.36 1pfu n ASP 405 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pfu n GLY 406 N -1.18 0.43 3.66 0.44 0.00 -0.07 -4.91 105.19 103.55 1pfu n GLY 406 Ca -0.06 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1pfu n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pfu s VAL 407 N -1.76 5.30 0.56 1.61 1.01 -0.49 -0.38 120.40 126.25 1pfu s VAL 407 Ca 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 1pfu s VAL 407 Cb 0.00 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 1pfu s VAL 407 CO 0.00 0.30 1.02 -0.76 0.00 0.00 0.00 175.10 175.66 1pfu s LEU 408 N 1.22 3.52 0.75 3.92 1.43 -0.13 -4.90 118.68 124.49 1pfu s LEU 408 Ca 0.11 1.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.69 1pfu s LEU 408 Cb -0.14 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.58 1pfu s LEU 408 CO 0.06 -0.83 0.89 0.00 0.23 0.00 0.00 176.35 176.70 1pfu n ALA 409 N -1.92 -0.61 0.72 4.21 0.00 -1.26 -2.78 120.51 118.87 1pfu n ALA 409 Ca 0.07 -0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.39 1pfu n ALA 409 Cb 0.54 -2.07 0.48 0.00 0.00 0.00 0.00 19.45 18.39 1pfu n ALA 409 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pfu n SER 410 N -1.69 0.50 -3.98 0.00 3.41 -1.26 -1.44 113.62 109.15 1pfu n SER 410 Ca 0.12 0.56 -0.08 0.00 -0.26 0.00 0.00 58.87 59.21 1pfu n SER 410 Cb 0.50 -0.69 -0.09 0.00 -0.26 0.00 0.00 64.21 63.67 1pfu n SER 410 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pfu s GLU 411 N -3.08 0.64 0.13 4.33 8.01 -1.26 -4.63 118.70 122.84 1pfu s GLU 411 Ca 0.11 -0.98 -0.30 0.00 0.01 0.00 0.00 54.97 53.81 1pfu s GLU 411 Cb 0.14 0.24 -0.07 0.00 -4.31 0.00 0.00 34.13 30.13 1pfu s GLU 411 CO 0.54 -0.15 1.16 -0.51 0.01 0.00 0.00 175.26 176.30 1pfu s LEU 412 N -2.57 4.43 0.21 1.80 1.43 -1.26 -4.94 118.68 117.79 1pfu s LEU 412 Ca 0.01 2.09 -0.02 0.00 -1.03 0.00 0.00 54.13 55.19 1pfu s LEU 412 Cb 0.03 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.85 1pfu s LEU 412 CO -0.08 -0.35 1.57 0.00 0.23 0.00 0.00 176.35 177.72 1pfu h ALA 413 N 5.79 0.81 -2.60 4.21 0.00 -1.97 -3.38 119.26 122.11 1pfu h ALA 413 Ca -0.43 -0.46 -0.60 0.00 0.00 0.00 0.00 54.91 53.41 1pfu h ALA 413 Cb 1.21 -0.10 -0.39 0.00 0.00 0.00 0.00 17.79 18.51 1pfu h ALA 413 CO 0.76 0.66 -0.85 0.34 0.00 0.00 0.00 179.25 180.16 1pfu s ASP 414 N -6.88 2.53 0.30 0.00 3.68 -1.26 -5.00 116.67 110.04 1pfu s ASP 414 Ca -0.07 -3.21 0.04 0.00 2.13 0.00 0.00 52.55 51.44 1pfu s ASP 414 Cb 0.12 -0.79 0.65 0.00 -1.45 0.00 0.00 42.92 41.46 1pfu s ASP 414 CO 0.83 -0.16 1.82 -0.65 0.13 0.00 0.00 175.17 177.14 1pfu h PRO 415 N 5.71 0.86 -0.22 4.34 0.11 -2.00 -2.25 132.00 138.55 1pfu h PRO 415 Ca 0.21 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1pfu h PRO 415 Cb 0.87 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1pfu h PRO 415 CO 0.46 0.57 0.11 1.96 -0.21 0.00 0.00 178.00 180.89 1pfu h GLN 416 N 0.88 0.31 -0.71 1.05 4.20 -1.97 -1.03 115.11 117.84 1pfu h GLN 416 Ca 0.52 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.18 1pfu h GLN 416 Cb 0.66 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1pfu h GLN 416 CO -0.29 0.32 0.42 1.25 -0.67 0.00 0.00 178.83 179.85 1pfu h LEU 417 N 0.23 0.86 -0.85 1.46 5.85 -1.89 -1.65 115.31 119.33 1pfu h LEU 417 Ca 0.08 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1pfu h LEU 417 Cb 0.11 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1pfu h LEU 417 CO -0.01 0.68 0.48 0.22 -0.34 0.00 0.00 178.44 179.47 1pfu h TYR 418 N 0.97 1.16 -0.29 1.25 3.20 -1.18 -1.99 116.97 120.08 1pfu h TYR 418 Ca 0.25 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1pfu h TYR 418 Cb -0.01 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 37.87 1pfu h TYR 418 CO -0.01 0.80 -0.05 -0.22 -1.64 0.00 0.00 178.16 177.04 1pfu h LYS 419 N 1.18 0.46 -0.81 1.82 3.64 -0.63 -1.36 116.57 120.86 1pfu h LYS 419 Ca 0.30 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1pfu h LYS 419 Cb 0.01 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1pfu h LYS 419 CO -0.05 0.52 0.52 1.15 -2.27 0.00 0.00 179.45 179.32 1pfu h THR 420 N 0.44 1.22 -0.04 1.00 2.02 -0.57 0.24 112.91 117.20 1pfu h THR 420 Ca 0.09 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1pfu h THR 420 Cb 0.36 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1pfu h THR 420 CO 0.02 0.21 -0.05 -0.26 0.37 0.00 0.00 175.52 175.81 1pfu h PHE 421 N 1.11 0.14 -0.03 3.16 -1.00 -0.98 -3.16 116.94 116.19 1pfu h PHE 421 Ca 0.30 -0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.95 1pfu h PHE 421 Cb -0.10 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 1pfu h PHE 421 CO 0.00 0.60 -0.37 1.79 -1.61 0.00 0.00 178.31 178.72 1pfu h THR 422 N -0.37 1.27 0.00 -1.55 1.35 -1.06 -2.63 112.91 109.93 1pfu h THR 422 Ca 0.01 -1.31 -0.01 0.00 -0.55 0.00 0.00 66.41 64.54 1pfu h THR 422 Cb 0.58 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1pfu h THR 422 CO 0.01 0.38 -0.05 0.44 -0.25 0.00 0.00 175.52 176.05 1pfu h ASP 423 N 0.04 0.00 0.95 5.36 3.45 -0.54 -2.42 116.42 123.27 1pfu h ASP 423 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1pfu h ASP 423 Cb 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 1pfu h ASP 423 CO 0.05 0.05 -0.01 0.00 -1.57 0.00 0.00 179.24 177.77 1pfu n ALA 424 N -2.24 2.36 -0.25 3.45 0.00 -0.99 -4.07 120.51 118.77 1pfu n ALA 424 Ca -0.02 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1pfu n ALA 424 Cb 0.17 -1.47 0.15 0.00 0.00 0.00 0.00 19.45 18.30 1pfu n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pfu h ALA 425 N 3.04 1.00 0.00 0.00 0.00 -1.56 -1.67 119.26 120.07 1pfu h ALA 425 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pfu h ALA 425 Cb 0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1pfu h ALA 425 CO 0.00 -0.08 -0.07 1.49 0.00 0.00 0.00 179.25 180.59 1pfu h GLU 426 N 0.57 -0.12 -0.53 0.00 4.81 -1.81 0.48 114.58 117.98 1pfu h GLU 426 Ca 0.36 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.49 1pfu h GLU 426 Cb 0.43 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1pfu h GLU 426 CO -0.30 -0.08 -0.13 -0.24 -0.73 0.00 0.00 179.01 177.54 1pfu h VAL 427 N -0.12 1.27 -0.32 0.32 3.04 -1.77 -1.36 116.25 117.31 1pfu h VAL 427 Ca 0.03 -1.28 -0.07 0.00 -1.01 0.00 0.00 66.70 64.36 1pfu h VAL 427 Cb 0.15 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1pfu h VAL 427 CO -0.07 0.45 -0.09 0.40 -1.01 0.00 0.00 177.57 177.26 1pfu h ILE 428 N 0.89 1.28 -0.76 3.17 2.04 -1.21 -1.44 117.51 121.48 1pfu h ILE 428 Ca 0.13 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1pfu h ILE 428 Cb 0.70 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 1pfu h ILE 428 CO 0.05 0.37 0.39 1.23 0.00 0.00 0.00 178.15 180.19 1pfu h GLY 429 N 0.41 1.15 1.98 5.37 0.00 -0.85 -0.89 103.07 110.23 1pfu h GLY 429 Ca 0.08 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1pfu h GLY 429 CO 0.03 0.51 -0.33 -2.09 0.00 0.00 0.00 176.54 174.66 1pfu h GLU 430 N 1.07 0.02 -0.26 4.80 4.57 -1.02 0.41 114.58 124.17 1pfu h GLU 430 Ca 0.27 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.38 1pfu h GLU 430 Cb 0.07 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1pfu h GLU 430 CO -0.04 0.35 -0.07 0.00 -1.18 0.00 0.00 179.01 178.07 1pfu h ALA 431 N 1.65 0.35 -0.36 2.92 0.00 -0.14 0.15 119.26 123.83 1pfu h ALA 431 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1pfu h ALA 431 Cb 0.60 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1pfu h ALA 431 CO 0.04 0.17 0.14 -1.49 0.00 0.00 0.00 179.25 178.11 1pfu h TRP 432 N 0.24 0.56 -0.33 0.00 -0.00 -0.80 -0.34 115.95 115.27 1pfu h TRP 432 Ca 0.06 -0.05 0.04 0.00 -0.00 0.00 0.00 58.89 58.95 1pfu h TRP 432 Cb 0.55 -0.17 -0.04 0.00 -0.00 0.00 0.00 29.16 29.51 1pfu h TRP 432 CO 0.05 0.52 0.10 1.49 -0.00 0.00 0.00 178.44 180.60 1pfu h GLU 433 N 0.44 0.23 -0.00 0.49 4.57 -0.78 -2.17 114.58 117.36 1pfu h GLU 433 Ca 0.12 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1pfu h GLU 433 Cb 0.20 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1pfu h GLU 433 CO -0.01 0.15 0.00 -1.13 -1.18 0.00 0.00 179.01 176.85 1pfu n SER 434 N -5.04 0.04 -0.34 1.04 3.41 0.03 -4.89 113.62 107.87 1pfu n SER 434 Ca 0.01 -1.26 -0.04 0.00 -0.26 0.00 0.00 58.87 57.31 1pfu n SER 434 Cb 0.12 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 1pfu n SER 434 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pfu n ARG 435 N -0.85 -0.71 -2.22 4.33 1.74 -0.82 -4.68 116.66 113.46 1pfu n ARG 435 Ca 0.18 0.52 -0.42 0.00 -0.77 0.00 0.00 57.85 57.35 1pfu n ARG 435 Cb 0.09 -4.26 0.00 0.00 -1.02 0.00 0.00 32.46 27.27 1pfu n ARG 435 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pfu n GLU 436 N -2.07 3.61 -0.36 5.56 -0.58 -0.19 -3.14 120.64 123.48 1pfu n GLU 436 Ca -0.04 -3.39 -0.02 0.00 -0.42 0.00 0.00 57.16 53.28 1pfu n GLU 436 Cb 0.25 -2.94 0.10 0.00 -0.57 0.00 0.00 31.44 28.28 1pfu n GLU 436 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1pfu h PHE 437 N 5.66 1.20 -0.88 -0.32 0.05 -1.72 -2.24 116.94 118.68 1pfu h PHE 437 Ca 0.45 0.03 0.00 0.00 3.82 0.00 0.00 57.97 62.27 1pfu h PHE 437 Cb 0.60 -0.40 -0.04 0.00 2.00 0.00 0.00 35.95 38.10 1pfu h PHE 437 CO 1.31 0.75 0.57 0.78 -0.18 0.00 0.00 178.31 181.54 1pfu h GLY 438 N 1.29 1.25 1.07 -1.45 0.00 -0.64 -1.08 103.07 103.52 1pfu h GLY 438 Ca 0.35 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 1pfu h GLY 438 CO -0.08 0.48 -0.24 1.70 0.00 0.00 0.00 176.54 178.40 1pfu h LYS 439 N 1.20 0.92 -0.13 4.80 3.64 -1.74 -1.82 116.57 123.45 1pfu h LYS 439 Ca 0.32 -0.41 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1pfu h LYS 439 Cb -0.11 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1pfu h LYS 439 CO -0.07 1.07 0.05 0.00 -2.27 0.00 0.00 179.45 178.23 1pfu h ALA 440 N 0.82 0.14 -0.68 5.00 0.00 -0.82 -1.34 119.26 122.39 1pfu h ALA 440 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1pfu h ALA 440 Cb 0.81 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1pfu h ALA 440 CO 0.07 -0.40 0.34 0.28 0.00 0.00 0.00 179.25 179.54 1pfu h VAL 441 N 0.12 1.22 -0.45 0.00 2.07 -1.17 -0.77 116.25 117.27 1pfu h VAL 441 Ca 0.05 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1pfu h VAL 441 Cb 0.02 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1pfu h VAL 441 CO -0.05 0.26 0.30 0.03 0.02 0.00 0.00 177.57 178.12 1pfu h ARG 442 N 0.94 0.60 -0.65 1.57 3.08 -1.07 0.92 114.38 119.78 1pfu h ARG 442 Ca 0.23 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1pfu h ARG 442 Cb 0.10 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1pfu h ARG 442 CO -0.03 0.41 0.35 1.49 -1.07 0.00 0.00 179.97 181.12 1pfu h GLU 443 N 0.61 0.90 -0.35 0.04 4.57 -1.04 -0.69 114.58 118.61 1pfu h GLU 443 Ca 0.17 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1pfu h GLU 443 Cb -0.06 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 1pfu h GLU 443 CO -0.03 0.68 0.05 0.82 -1.18 0.00 0.00 179.01 179.35 1pfu h ILE 444 N 0.88 1.24 0.00 2.32 2.04 -0.71 -2.40 117.51 120.89 1pfu h ILE 444 Ca 0.23 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 65.15 1pfu h ILE 444 Cb 0.04 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1pfu h ILE 444 CO -0.04 0.29 -0.42 0.24 0.00 0.00 0.00 178.15 178.22 1pfu h MET 445 N 0.42 0.00 -0.45 2.37 2.86 -0.67 -1.22 114.93 118.26 1pfu h MET 445 Ca 0.11 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 1pfu h MET 445 Cb 0.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1pfu h MET 445 CO 0.01 0.42 -0.15 0.00 1.06 0.00 0.00 176.91 178.25 1pfu h ALA 446 N 1.58 0.90 -0.61 6.32 0.00 -0.94 -0.46 119.26 126.06 1pfu h ALA 446 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1pfu h ALA 446 Cb 0.80 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1pfu h ALA 446 CO 0.05 0.63 0.04 -0.07 0.00 0.00 0.00 179.25 179.90 1pfu h LEU 447 N 0.75 1.01 -1.38 0.00 3.38 -0.93 -2.31 115.31 115.83 1pfu h LEU 447 Ca 0.12 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1pfu h LEU 447 Cb 0.66 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1pfu h LEU 447 CO 0.05 1.05 0.24 0.00 0.09 0.00 0.00 178.44 179.87 1pfu h ALA 448 N 1.00 1.52 -0.58 1.53 0.00 -0.61 0.08 119.26 122.20 1pfu h ALA 448 Ca 0.18 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1pfu h ALA 448 Cb 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1pfu h ALA 448 CO 0.02 0.39 -0.02 -0.44 0.00 0.00 0.00 179.25 179.20 1pfu h ASP 449 N 0.67 1.01 -0.74 0.00 3.32 -0.73 -1.37 116.42 118.58 1pfu h ASP 449 Ca 0.17 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1pfu h ASP 449 Cb 0.06 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1pfu h ASP 449 CO -0.02 1.08 0.35 0.25 -1.72 0.00 0.00 179.24 179.17 1pfu h LEU 450 N 0.94 0.97 -0.43 1.55 6.46 -0.73 -0.64 115.31 123.42 1pfu h LEU 450 Ca 0.16 -0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 1pfu h LEU 450 Cb 0.57 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 1pfu h LEU 450 CO 0.03 0.83 0.04 0.00 -0.62 0.00 0.00 178.44 178.72 1pfu h ALA 451 N 1.17 0.57 0.00 1.25 0.00 -0.69 -1.53 119.26 120.03 1pfu h ALA 451 Ca 0.25 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1pfu h ALA 451 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1pfu h ALA 451 CO -0.03 0.32 -0.52 -0.91 0.00 0.00 0.00 179.25 178.12 1pfu h ASN 452 N 0.58 0.00 -0.31 0.00 2.35 -1.05 -2.12 115.58 115.03 1pfu h ASN 452 Ca 0.13 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1pfu h ASN 452 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1pfu h ASN 452 CO 0.01 0.52 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.21 1pfu h ARG 453 N 0.00 0.56 -0.35 0.81 2.43 -0.93 -0.95 114.38 115.94 1pfu h ARG 453 Ca -0.01 -0.18 0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1pfu h ARG 453 Cb 0.96 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.41 1pfu h ARG 453 CO 0.07 0.70 0.08 -0.92 -1.51 0.00 0.00 179.97 178.39 1pfu h TYR 454 N 0.35 0.13 -0.88 2.20 3.20 -0.99 0.22 116.97 121.21 1pfu h TYR 454 Ca 0.09 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1pfu h TYR 454 Cb 0.46 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1pfu h TYR 454 CO 0.04 0.03 0.45 0.28 -1.64 0.00 0.00 178.16 177.32 1pfu h VAL 455 N 0.20 1.26 -0.64 1.81 2.07 -1.19 -1.51 116.25 118.26 1pfu h VAL 455 Ca 0.17 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1pfu h VAL 455 Cb 0.18 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1pfu h VAL 455 CO -0.21 0.31 0.07 0.44 0.02 0.00 0.00 177.57 178.20 1pfu h ASP 456 N 1.24 1.05 -0.69 0.57 3.32 -0.55 0.71 116.42 122.08 1pfu h ASP 456 Ca 0.31 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1pfu h ASP 456 Cb 0.08 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1pfu h ASP 456 CO -0.04 1.06 0.32 -0.33 -1.72 0.00 0.00 179.24 178.53 1pfu h GLU 457 N 1.00 1.02 0.00 3.56 5.08 -0.53 -2.68 114.58 122.03 1pfu h GLU 457 Ca 0.19 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1pfu h GLU 457 Cb 0.48 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1pfu h GLU 457 CO 0.02 0.80 -0.56 1.96 -1.00 0.00 0.00 179.01 180.23 1pfu h GLN 458 N 1.01 0.00 -6.50 2.33 1.08 -0.99 -3.49 115.11 108.55 1pfu h GLN 458 Ca 0.24 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 57.01 1pfu h GLN 458 Cb 0.13 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1pfu h GLN 458 CO -0.03 0.47 -0.90 0.00 -0.95 0.00 0.00 178.83 177.42 1pfu n ALA 459 N -2.23 -2.68 0.26 3.87 0.00 0.22 -4.68 120.51 115.26 1pfu n ALA 459 Ca 0.01 -0.29 0.18 0.00 0.00 0.00 0.00 53.44 53.33 1pfu n ALA 459 Cb 0.73 -1.83 0.92 0.00 0.00 0.00 0.00 19.45 19.27 1pfu n ALA 459 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pfu h PRO 460 N -0.96 0.00 0.00 0.00 0.13 -1.90 0.55 132.00 129.82 1pfu h PRO 460 Ca -0.57 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1pfu h PRO 460 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1pfu h PRO 460 CO 0.41 0.00 -0.06 0.11 -0.23 0.00 0.00 178.00 178.23 1pfu h TRP 461 N 0.00 0.00 0.02 1.56 0.09 -1.94 0.20 115.95 115.88 1pfu h TRP 461 Ca 0.04 0.00 -0.20 0.00 0.09 0.00 0.00 58.89 58.82 1pfu h TRP 461 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.54 1pfu h TRP 461 CO 0.00 0.06 -1.08 0.28 0.09 0.00 0.00 178.44 177.79 1pfu h VAL 462 N 0.00 1.08 -0.28 0.12 2.07 -1.24 -3.36 116.25 114.64 1pfu h VAL 462 Ca -0.00 -2.25 0.01 0.00 0.82 0.00 0.00 66.70 65.28 1pfu h VAL 462 Cb 0.61 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1pfu h VAL 462 CO 0.01 0.44 0.18 0.58 0.02 0.00 0.00 177.57 178.80 1pfu h VAL 463 N -0.86 1.06 -0.00 2.57 2.07 -1.34 -2.22 116.25 117.53 1pfu h VAL 463 Ca -0.28 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1pfu h VAL 463 Cb 1.34 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1pfu h VAL 463 CO -0.12 0.06 -0.11 0.00 0.02 0.00 0.00 177.57 177.42 1pfu h ALA 464 N 1.83 1.82 -0.68 1.67 0.00 -1.10 -2.60 119.26 120.20 1pfu h ALA 464 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pfu h ALA 464 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pfu h ALA 464 CO -0.02 0.14 0.00 0.36 0.00 0.00 0.00 179.25 179.73 1pfu n LYS 465 N -4.41 3.09 -3.98 0.00 2.85 -0.84 -4.90 118.16 109.98 1pfu n LYS 465 Ca -0.03 -2.65 -0.35 0.00 -1.05 0.00 0.00 58.31 54.24 1pfu n LYS 465 Cb 0.18 -1.70 -0.14 0.00 -0.65 0.00 0.00 35.03 32.73 1pfu n LYS 465 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1pfu s GLN 466 N -1.40 3.36 0.25 -1.58 -0.21 -0.98 -5.08 119.66 114.01 1pfu s GLN 466 Ca 0.48 -0.64 -0.30 0.00 0.02 0.00 0.00 55.36 54.93 1pfu s GLN 466 Cb 0.28 -2.96 -0.14 0.00 1.00 0.00 0.00 33.01 31.18 1pfu s GLN 466 CO 0.29 -0.17 1.11 -0.85 -2.12 0.00 0.00 175.29 173.55 1pfu n GLU 467 N 4.69 1.38 -0.94 2.91 -0.00 -1.26 -2.80 120.64 124.61 1pfu n GLU 467 Ca -0.18 0.49 0.00 0.00 -0.00 0.00 0.00 57.16 57.46 1pfu n GLU 467 Cb 0.51 -1.93 0.00 0.00 -0.00 0.00 0.00 31.44 30.01 1pfu n GLU 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pfu n GLY 468 N 1.58 0.47 1.78 -1.84 0.00 -1.26 -4.90 105.19 101.02 1pfu n GLY 468 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1pfu n GLY 468 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfu n ARG 469 N -1.86 2.65 -0.06 1.61 5.12 -1.12 -4.66 116.66 118.33 1pfu n ARG 469 Ca 0.00 -3.07 -0.08 0.00 -1.93 0.00 0.00 57.85 52.77 1pfu n ARG 469 Cb 0.10 -2.07 -0.01 0.00 -1.16 0.00 0.00 32.46 29.31 1pfu n ARG 469 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1pfu h ASP 470 N 1.57 0.12 -0.92 0.55 5.19 -1.89 -0.64 116.42 120.40 1pfu h ASP 470 Ca 0.37 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.84 1pfu h ASP 470 Cb 2.29 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 41.75 1pfu h ASP 470 CO 0.74 0.10 0.59 0.00 -3.12 0.00 0.00 179.24 177.56 1pfu h ALA 471 N 1.15 1.23 -0.37 3.45 0.00 -2.00 -1.10 119.26 121.63 1pfu h ALA 471 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1pfu h ALA 471 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1pfu h ALA 471 CO -0.11 0.43 0.10 -0.44 0.00 0.00 0.00 179.25 179.23 1pfu h ASP 472 N 1.13 0.56 -0.23 0.00 5.19 -1.78 -1.81 116.42 119.48 1pfu h ASP 472 Ca 0.38 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1pfu h ASP 472 Cb 0.05 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1pfu h ASP 472 CO -0.14 0.64 0.15 0.25 -3.12 0.00 0.00 179.24 177.03 1pfu h LEU 473 N 0.46 0.26 -1.00 1.55 5.85 -0.50 -1.01 115.31 120.92 1pfu h LEU 473 Ca 0.12 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1pfu h LEU 473 Cb 0.30 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1pfu h LEU 473 CO 0.00 0.19 0.52 -0.61 -0.34 0.00 0.00 178.44 178.20 1pfu h GLN 474 N 0.31 1.21 -0.24 1.25 4.15 -1.15 -1.10 115.11 119.55 1pfu h GLN 474 Ca 0.09 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1pfu h GLN 474 Cb -0.03 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.40 1pfu h GLN 474 CO -0.02 0.86 0.09 0.00 -1.93 0.00 0.00 178.83 177.83 1pfu h ALA 475 N 1.34 0.31 0.26 3.38 0.00 -0.95 -1.17 119.26 122.43 1pfu h ALA 475 Ca 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1pfu h ALA 475 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pfu h ALA 475 CO -0.06 -0.08 -0.12 0.82 0.00 0.00 0.00 179.25 179.81 1pfu h ILE 476 N 0.23 0.76 -0.16 0.00 2.04 -0.84 -1.49 117.51 118.05 1pfu h ILE 476 Ca 0.08 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1pfu h ILE 476 Cb 0.20 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1pfu h ILE 476 CO -0.01 0.01 -0.18 0.00 0.00 0.00 0.00 178.15 177.97 1pfu h SER 478 N 0.24 0.76 -0.36 0.00 0.02 -1.09 -2.41 113.55 110.72 1pfu h SER 478 Ca 0.05 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1pfu h SER 478 Cb 0.47 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1pfu h SER 478 CO 0.03 1.12 0.19 -0.03 -1.14 0.00 0.00 176.83 177.00 1pfu h MET 479 N 0.54 0.50 -0.78 3.45 -1.53 -0.82 -1.32 114.93 114.97 1pfu h MET 479 Ca 0.02 -0.06 -0.03 0.00 -3.44 0.00 0.00 59.70 56.20 1pfu h MET 479 Cb 1.05 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 31.97 1pfu h MET 479 CO 0.10 0.42 0.39 0.78 0.14 0.00 0.00 176.91 178.74 1pfu h GLY 480 N 0.45 1.19 1.44 1.39 0.00 -1.34 -1.89 103.07 104.31 1pfu h GLY 480 Ca 0.12 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 1pfu h GLY 480 CO -0.02 0.54 -0.18 -2.22 0.00 0.00 0.00 176.54 174.66 1pfu h ILE 481 N 1.10 1.26 -0.12 2.60 2.04 -1.08 -1.69 117.51 121.63 1pfu h ILE 481 Ca 0.27 -1.22 -0.13 0.00 1.00 0.00 0.00 64.86 64.78 1pfu h ILE 481 Cb 0.09 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1pfu h ILE 481 CO -0.04 0.41 -0.48 0.78 0.00 0.00 0.00 178.15 178.82 1pfu h ASN 482 N 0.59 0.33 0.06 1.72 2.35 -0.85 -0.43 115.58 119.35 1pfu h ASN 482 Ca 0.09 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 1pfu h ASN 482 Cb 0.64 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1pfu h ASN 482 CO 0.05 0.76 -0.35 -0.07 -1.65 0.00 0.00 177.43 176.17 1pfu h LEU 483 N 0.25 0.42 -0.49 1.61 3.38 -1.09 -2.16 115.31 117.23 1pfu h LEU 483 Ca 0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1pfu h LEU 483 Cb 0.94 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1pfu h LEU 483 CO 0.08 0.74 0.10 0.15 0.09 0.00 0.00 178.44 179.60 1pfu h PHE 484 N 0.35 0.84 -0.41 1.13 3.57 -0.82 -1.55 116.94 120.04 1pfu h PHE 484 Ca 0.04 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.51 1pfu h PHE 484 Cb 0.77 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1pfu h PHE 484 CO 0.02 0.76 0.03 -0.09 -2.23 0.00 0.00 178.31 176.80 1pfu h ARG 485 N 0.67 0.14 0.05 1.11 1.12 -0.60 -0.56 114.38 116.32 1pfu h ARG 485 Ca 0.15 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.01 1pfu h ARG 485 Cb 0.35 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 1pfu h ARG 485 CO 0.00 0.09 -0.03 0.28 -3.11 0.00 0.00 179.97 177.21 1pfu h VAL 486 N 0.14 1.02 -0.77 0.20 2.07 -1.17 -2.64 116.25 115.10 1pfu h VAL 486 Ca 0.20 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1pfu h VAL 486 Cb 0.28 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1pfu h VAL 486 CO -0.31 0.06 0.45 -0.07 0.02 0.00 0.00 177.57 177.72 1pfu h LEU 487 N -0.17 0.70 -1.51 2.57 3.38 -0.85 -1.31 115.31 118.12 1pfu h LEU 487 Ca -0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1pfu h LEU 487 Cb 0.15 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1pfu h LEU 487 CO 0.01 0.45 -0.16 0.24 0.09 0.00 0.00 178.44 179.07 1pfu h MET 488 N 0.83 0.00 -0.21 1.13 2.86 -1.07 -1.87 114.93 116.59 1pfu h MET 488 Ca 0.34 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.82 1pfu h MET 488 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1pfu h MET 488 CO -0.18 0.16 -0.51 1.15 1.06 0.00 0.00 176.91 178.59 1pfu h THR 489 N 0.00 1.31 0.00 2.22 2.02 -0.88 0.39 112.91 117.97 1pfu h THR 489 Ca -0.00 -1.72 -0.08 0.00 0.77 0.00 0.00 66.41 65.37 1pfu h THR 489 Cb 0.55 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1pfu h THR 489 CO 0.02 0.54 -0.40 1.88 0.37 0.00 0.00 175.52 177.93 1pfu h TYR 490 N 0.43 0.00 -0.01 3.16 0.05 -1.06 -2.96 116.97 116.58 1pfu h TYR 490 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1pfu h TYR 490 Cb 1.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 1pfu h TYR 490 CO 0.09 0.40 -0.32 1.28 -1.05 0.00 0.00 178.16 178.56 1pfu n LEU 491 N -3.76 1.58 -0.27 3.88 4.77 -0.74 -4.50 117.00 117.96 1pfu n LEU 491 Ca -0.01 -0.52 0.07 0.00 -0.03 0.00 0.00 56.01 55.51 1pfu n LEU 491 Cb 0.48 -0.06 0.21 0.00 -2.33 0.00 0.00 43.42 41.72 1pfu n LEU 491 CO 0.38 0.29 1.02 0.50 -1.33 0.00 0.00 177.39 178.24 1pfu h LYS 492 N 1.97 0.42 0.00 3.23 3.64 -0.74 0.20 116.57 125.30 1pfu h LYS 492 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1pfu h LYS 492 Cb 0.64 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1pfu h LYS 492 CO 0.00 0.28 0.00 -1.35 -2.27 0.00 0.00 179.45 176.11 1pfu h PRO 493 N 0.43 0.00 0.05 1.90 0.11 -1.81 -3.27 132.00 129.42 1pfu h PRO 493 Ca 0.44 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.25 1pfu h PRO 493 Cb 0.71 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 1pfu h PRO 493 CO -0.43 0.00 -1.64 0.28 -0.21 0.00 0.00 178.00 175.99 1pfu n VAL 494 N -3.06 1.64 -3.68 3.15 0.31 0.64 -4.34 118.33 112.98 1pfu n VAL 494 Ca -0.01 -0.31 -0.30 0.00 -0.01 0.00 0.00 64.34 63.70 1pfu n VAL 494 Cb 0.18 -1.90 -0.09 0.00 -0.91 0.00 0.00 33.84 31.12 1pfu n VAL 494 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1pfu n LEU 495 N -4.02 3.66 -0.16 7.52 4.77 -0.69 -4.58 117.00 123.50 1pfu n LEU 495 Ca -0.33 -5.25 -0.02 0.00 -0.03 0.00 0.00 56.01 50.38 1pfu n LEU 495 Cb 0.85 -0.85 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1pfu n LEU 495 CO 0.28 1.78 0.87 -0.65 -1.33 0.00 0.00 177.39 178.34 1pfu h PRO 496 N 5.24 0.17 -0.07 3.23 0.11 -1.86 -0.64 132.00 138.19 1pfu h PRO 496 Ca 0.17 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 1pfu h PRO 496 Cb 0.74 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1pfu h PRO 496 CO 0.81 0.11 -0.07 0.87 -0.21 0.00 0.00 178.00 179.51 1pfu h LYS 497 N 0.17 0.17 -0.41 1.05 1.79 -1.94 -2.20 116.57 115.21 1pfu h LYS 497 Ca 0.26 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1pfu h LYS 497 Cb 0.38 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1pfu h LYS 497 CO -0.38 0.62 0.27 1.25 -1.08 0.00 0.00 179.45 180.13 1pfu h LEU 498 N -0.27 0.46 -0.71 2.94 5.85 -1.89 -1.67 115.31 120.02 1pfu h LEU 498 Ca 0.01 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1pfu h LEU 498 Cb 0.59 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1pfu h LEU 498 CO 0.02 0.33 0.18 0.74 -0.34 0.00 0.00 178.44 179.36 1pfu h THR 499 N 0.54 1.26 -0.52 1.05 2.02 -0.93 0.02 112.91 116.36 1pfu h THR 499 Ca 0.15 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 1pfu h THR 499 Cb -0.04 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1pfu h THR 499 CO -0.03 0.37 0.18 -0.33 0.37 0.00 0.00 175.52 176.08 1pfu h GLU 500 N 1.07 0.79 -0.38 6.66 5.08 -0.69 0.70 114.58 127.81 1pfu h GLU 500 Ca 0.22 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1pfu h GLU 500 Cb 0.37 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1pfu h GLU 500 CO 0.00 0.72 -0.00 0.00 -1.00 0.00 0.00 179.01 178.73 1pfu h ARG 501 N 0.70 0.61 -0.32 2.33 3.08 -1.10 -1.44 114.38 118.25 1pfu h ARG 501 Ca 0.17 -0.14 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 1pfu h ARG 501 Cb 0.24 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1pfu h ARG 501 CO -0.01 0.63 -0.45 0.00 -1.07 0.00 0.00 179.97 179.07 1pfu h ALA 502 N 1.42 0.48 -0.03 0.04 0.00 -0.49 -2.43 119.26 118.26 1pfu h ALA 502 Ca 0.12 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1pfu h ALA 502 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pfu h ALA 502 CO 0.01 0.63 -0.39 0.93 0.00 0.00 0.00 179.25 180.44 1pfu h GLU 503 N 0.65 0.06 -0.38 0.00 5.08 -0.57 0.04 114.58 119.46 1pfu h GLU 503 Ca 0.03 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1pfu h GLU 503 Cb 1.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1pfu h GLU 503 CO 0.11 0.44 -0.40 0.00 -1.00 0.00 0.00 179.01 178.15 1pfu h ALA 504 N 1.56 0.56 -0.28 3.43 0.00 -1.19 0.19 119.26 123.53 1pfu h ALA 504 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1pfu h ALA 504 Cb 0.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1pfu h ALA 504 CO 0.05 0.68 -0.22 0.35 0.00 0.00 0.00 179.25 180.11 1pfu h PHE 505 N 0.76 0.76 0.00 0.00 3.57 -1.09 -3.15 116.94 117.79 1pfu h PHE 505 Ca 0.06 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1pfu h PHE 505 Cb 1.00 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1pfu h PHE 505 CO 0.06 0.92 0.00 1.28 -2.23 0.00 0.00 178.31 178.35 1pfu n LEU 506 N -4.34 0.80 -2.93 0.59 4.77 -0.03 -0.87 117.00 114.98 1pfu n LEU 506 Ca -0.04 0.59 -0.19 0.00 -0.03 0.00 0.00 56.01 56.34 1pfu n LEU 506 Cb 0.43 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1pfu n LEU 506 CO 0.43 -0.25 0.16 0.59 -1.33 0.00 0.00 177.39 176.98 1pfu n ASN 507 N -2.27 -5.57 -3.56 -1.43 5.03 -0.01 -4.75 115.26 102.71 1pfu n ASN 507 Ca 0.05 -0.40 -0.15 0.00 0.87 0.00 0.00 54.58 54.95 1pfu n ASN 507 Cb 0.39 -4.23 -0.06 0.00 -1.02 0.00 0.00 39.78 34.86 1pfu n ASN 507 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1pfu s THR 508 N -3.22 0.00 0.26 3.41 -1.32 -0.83 -5.06 115.64 108.89 1pfu s THR 508 Ca 0.43 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.64 1pfu s THR 508 Cb -0.19 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.71 1pfu s THR 508 CO 0.53 0.00 0.91 -0.70 -2.21 0.00 0.00 174.62 173.15 1pfu s GLU 509 N -0.84 4.67 -0.27 7.08 2.12 -1.26 -4.46 118.70 125.75 1pfu s GLU 509 Ca -0.06 1.34 -0.16 0.00 0.36 0.00 0.00 54.97 56.45 1pfu s GLU 509 Cb -0.01 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1pfu s GLU 509 CO 0.06 0.42 0.43 -0.51 -0.54 0.00 0.00 175.26 175.12 1pfu s LEU 510 N -1.57 4.07 0.21 2.70 1.43 -1.26 -5.06 118.68 119.21 1pfu s LEU 510 Ca 0.44 0.33 0.11 0.00 -1.03 0.00 0.00 54.13 53.98 1pfu s LEU 510 Cb -0.22 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1pfu s LEU 510 CO 0.27 -0.24 -0.17 0.42 0.23 0.00 0.00 176.35 176.86 1pfu s THR 511 N 2.18 2.72 0.18 5.49 -4.23 -1.26 -5.04 115.64 115.68 1pfu s THR 511 Ca 0.17 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.56 1pfu s THR 511 Cb -0.16 -2.36 0.09 0.00 1.34 0.00 0.00 72.50 71.42 1pfu s THR 511 CO 0.10 -0.20 1.83 -0.25 -0.54 0.00 0.00 174.62 175.56 1pfu h TRP 512 N 2.81 0.67 0.00 3.99 2.91 -1.92 -2.83 115.95 121.57 1pfu h TRP 512 Ca -0.45 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.51 1pfu h TRP 512 Cb 1.22 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.64 1pfu h TRP 512 CO 0.70 0.39 -0.35 -0.44 -1.03 0.00 0.00 178.44 177.71 1pfu h ASP 513 N 0.71 0.00 -0.28 2.65 3.32 -1.97 -3.32 116.42 117.52 1pfu h ASP 513 Ca 0.22 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.36 1pfu h ASP 513 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1pfu h ASP 513 CO -0.08 0.35 0.27 1.23 -1.72 0.00 0.00 179.24 179.29 1pfu h GLY 514 N 3.35 0.00 1.86 2.75 0.00 -1.90 -2.24 103.07 106.90 1pfu h GLY 514 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1pfu h GLY 514 CO 0.05 0.00 0.06 0.16 0.00 0.00 0.00 176.54 176.81 1pfu h ILE 515 N 0.00 0.15 0.00 2.60 3.07 -1.69 -0.92 117.51 120.73 1pfu h ILE 515 Ca 0.13 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.54 1pfu h ILE 515 Cb 0.67 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.16 1pfu h ILE 515 CO -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.10 1pfu n GLN 516 N -3.28 0.18 -3.96 0.16 1.13 -0.84 -4.08 117.38 106.67 1pfu n GLN 516 Ca -0.02 0.50 -0.31 0.00 -1.94 0.00 0.00 57.00 55.23 1pfu n GLN 516 Cb 0.14 -1.90 -0.15 0.00 0.11 0.00 0.00 30.24 28.44 1pfu n GLN 516 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1pfu s GLN 517 N -3.39 1.52 0.94 -1.09 1.11 -0.35 -5.11 119.66 113.28 1pfu s GLN 517 Ca 0.02 -1.99 -0.11 0.00 0.01 0.00 0.00 55.36 53.29 1pfu s GLN 517 Cb 0.08 -3.09 0.16 0.00 -1.01 0.00 0.00 33.01 29.15 1pfu s GLN 517 CO 0.32 -0.99 1.11 -1.25 0.01 0.00 0.00 175.29 174.49 1pfu s PRO 518 N 0.66 0.85 -0.38 2.91 0.04 -1.26 -4.93 135.00 132.89 1pfu s PRO 518 Ca 0.13 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.21 1pfu s PRO 518 Cb -0.21 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1pfu s PRO 518 CO -0.07 -2.67 1.00 -0.51 0.04 0.00 0.00 177.00 174.79 1pfu s LEU 519 N -6.60 3.92 0.00 -3.56 1.43 -1.26 -5.02 118.68 107.59 1pfu s LEU 519 Ca 0.66 0.66 0.06 0.00 -1.03 0.00 0.00 54.13 54.48 1pfu s LEU 519 Cb -0.22 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1pfu s LEU 519 CO 0.59 -0.94 -0.17 -0.76 0.23 0.00 0.00 176.35 175.29 1pfu s LEU 520 N 3.70 2.07 -1.57 1.79 1.43 -1.26 -4.72 118.68 120.12 1pfu s LEU 520 Ca 0.42 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 1pfu s LEU 520 Cb -0.11 -0.86 0.09 0.00 0.03 0.00 0.00 46.19 45.34 1pfu s LEU 520 CO 0.20 0.18 0.70 0.61 0.23 0.00 0.00 176.35 178.27 1pfu n GLY 521 N 2.44 -0.38 3.29 -3.19 0.00 -0.52 -4.93 105.19 101.91 1pfu n GLY 521 Ca -0.15 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1pfu n GLY 521 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pfu s HIS 522 N -3.52 2.55 -0.11 1.61 5.04 -1.25 -4.88 115.29 114.73 1pfu s HIS 522 Ca 0.48 -0.73 -0.26 0.00 -1.54 0.00 0.00 55.06 53.00 1pfu s HIS 522 Cb -0.25 -1.67 -0.02 0.00 0.04 0.00 0.00 32.58 30.68 1pfu s HIS 522 CO 0.90 -0.23 0.84 0.21 -2.34 0.00 0.00 174.74 174.13 1pfu s LYS 523 N -0.02 4.38 0.28 2.88 2.47 -1.26 -0.96 119.74 127.51 1pfu s LYS 523 Ca -0.07 1.09 0.09 0.00 -1.56 0.00 0.00 55.97 55.52 1pfu s LYS 523 Cb -0.15 -3.52 -0.04 0.00 -1.46 0.00 0.00 37.83 32.66 1pfu s LYS 523 CO 0.05 -0.20 0.09 0.14 0.16 0.00 0.00 175.35 175.59 1pfu s VAL 524 N 1.66 3.64 0.21 4.02 -7.23 0.49 -4.67 120.40 118.51 1pfu s VAL 524 Ca 0.41 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.91 1pfu s VAL 524 Cb -0.18 -3.03 -0.03 0.00 0.56 0.00 0.00 36.38 33.70 1pfu s VAL 524 CO 0.17 -0.32 0.31 0.20 -0.31 0.00 0.00 175.10 175.14 1pfu s ASN 525 N -3.77 6.20 0.67 4.85 0.01 -0.05 -4.72 114.94 118.13 1pfu s ASN 525 Ca 0.33 0.06 -0.13 0.00 -0.71 0.00 0.00 52.86 52.41 1pfu s ASN 525 Cb -0.06 -1.81 -0.00 0.00 0.41 0.00 0.00 41.25 39.79 1pfu s ASN 525 CO 0.22 -0.02 1.08 -2.84 -1.51 0.00 0.00 177.10 174.03 1pfu s PRO 526 N -3.66 2.92 -0.02 -0.60 0.02 -1.26 -4.81 135.00 127.59 1pfu s PRO 526 Ca 0.34 1.17 -0.06 0.00 0.02 0.00 0.00 61.00 62.47 1pfu s PRO 526 Cb -0.10 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1pfu s PRO 526 CO 0.28 -1.13 0.14 -0.59 -0.33 0.00 0.00 177.00 175.37 1pfu s PHE 527 N -2.66 -0.05 0.87 6.54 -0.71 -1.26 -4.90 117.98 115.81 1pfu s PHE 527 Ca 0.62 0.10 -0.13 0.00 -1.04 0.00 0.00 56.93 56.48 1pfu s PHE 527 Cb -0.17 -0.01 0.14 0.00 -1.21 0.00 0.00 43.02 41.78 1pfu s PHE 527 CO 0.46 -0.19 1.23 0.21 -1.34 0.00 0.00 175.22 175.60 1pfu s LYS 528 N -0.70 1.34 -0.03 1.99 2.20 -1.26 -4.91 119.74 118.37 1pfu s LYS 528 Ca -0.08 -0.19 -0.40 0.00 -0.36 0.00 0.00 55.97 54.94 1pfu s LYS 528 Cb -0.05 -1.92 -0.19 0.00 -1.51 0.00 0.00 37.83 34.16 1pfu s LYS 528 CO 0.01 -1.96 1.24 0.00 -0.36 0.00 0.00 175.35 174.27 1pfu n ALA 529 N -3.50 -2.42 0.02 3.13 0.00 -1.26 -4.86 120.51 111.62 1pfu n ALA 529 Ca 0.12 0.55 -0.08 0.00 0.00 0.00 0.00 53.44 54.03 1pfu n ALA 529 Cb 0.60 -1.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.02 1pfu n ALA 529 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pfu h LEU 530 N 3.89 0.01 -6.96 0.00 3.38 -1.97 -3.46 115.31 110.20 1pfu h LEU 530 Ca -0.49 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.54 1pfu h LEU 530 Cb 1.39 -0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.90 1pfu h LEU 530 CO 0.73 1.01 0.18 -0.47 0.09 0.00 0.00 178.44 179.98 1pfu s TYR 531 N -2.66 -0.85 0.25 1.13 6.14 -1.26 -4.91 117.35 115.18 1pfu s TYR 531 Ca -0.02 1.66 0.06 0.00 0.64 0.00 0.00 57.07 59.41 1pfu s TYR 531 Cb 0.09 0.51 -0.03 0.00 0.42 0.00 0.00 41.96 42.95 1pfu s TYR 531 CO 0.82 -0.42 0.31 -0.80 0.64 0.00 0.00 175.55 176.10 1pfu s ASN 532 N 1.70 6.07 0.59 4.32 0.01 -1.26 -4.87 114.94 121.50 1pfu s ASN 532 Ca -0.09 -0.03 -0.16 0.00 -0.71 0.00 0.00 52.86 51.87 1pfu s ASN 532 Cb -0.05 -1.71 -0.04 0.00 0.41 0.00 0.00 41.25 39.86 1pfu s ASN 532 CO -0.18 -0.07 1.06 -0.13 -1.51 0.00 0.00 177.10 176.28 1pfu s ARG 533 N -3.94 3.31 0.35 -0.60 0.52 -1.26 -4.96 118.95 112.37 1pfu s ARG 533 Ca 0.34 1.25 0.09 0.00 -0.52 0.00 0.00 55.73 56.88 1pfu s ARG 533 Cb -0.09 -2.03 -0.06 0.00 0.52 0.00 0.00 34.95 33.30 1pfu s ARG 533 CO 0.28 -0.82 0.02 0.96 0.02 0.00 0.00 175.30 175.75 1pfu s ILE 534 N -2.38 2.49 0.14 1.52 -4.36 -1.26 -5.12 121.20 112.22 1pfu s ILE 534 Ca 0.64 -1.98 -0.05 0.00 -0.26 0.00 0.00 60.65 59.00 1pfu s ILE 534 Cb -0.17 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.71 1pfu s ILE 534 CO 0.36 -0.16 0.18 1.51 0.24 0.00 0.00 174.94 177.06 1pfu s ASP 535 N -3.72 0.17 0.62 4.36 3.84 -1.26 -4.95 116.67 115.72 1pfu s ASP 535 Ca 0.35 -1.00 0.36 0.00 -0.00 0.00 0.00 52.55 52.26 1pfu s ASP 535 Cb 0.02 0.37 2.06 0.00 -1.38 0.00 0.00 42.92 43.98 1pfu s ASP 535 CO 0.19 -0.81 2.30 0.24 -0.00 0.00 0.00 175.17 177.10 1pfu h MET 536 N 2.71 0.00 -0.53 2.11 2.86 -1.98 -1.53 114.93 118.57 1pfu h MET 536 Ca -0.33 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 1pfu h MET 536 Cb 1.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 1pfu h MET 536 CO 0.54 0.00 0.13 0.00 1.06 0.00 0.00 176.91 178.63 1pfu h ARG 537 N 0.00 0.81 -0.25 1.72 3.08 -1.99 -0.42 114.38 117.33 1pfu h ARG 537 Ca -0.00 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.76 1pfu h ARG 537 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1pfu h ARG 537 CO 0.00 0.73 -0.36 1.96 -1.07 0.00 0.00 179.97 181.23 1pfu h GLN 538 N 0.78 0.55 -0.46 0.04 4.20 -1.70 -2.14 115.11 116.39 1pfu h GLN 538 Ca 0.17 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1pfu h GLN 538 Cb 0.29 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1pfu h GLN 538 CO -0.00 0.83 0.04 0.28 -0.67 0.00 0.00 178.83 179.31 1pfu h VAL 539 N 0.46 1.25 -0.83 -0.54 2.07 -1.33 -1.91 116.25 115.43 1pfu h VAL 539 Ca 0.05 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1pfu h VAL 539 Cb 0.84 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1pfu h VAL 539 CO 0.07 0.34 0.42 -0.33 0.02 0.00 0.00 177.57 178.09 1pfu h GLU 540 N 0.64 1.17 -0.56 1.57 5.08 -0.90 -1.45 114.58 120.14 1pfu h GLU 540 Ca 0.14 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1pfu h GLU 540 Cb 0.43 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1pfu h GLU 540 CO 0.02 0.88 0.01 0.00 -1.00 0.00 0.00 179.01 178.92 1pfu h ALA 541 N 1.29 0.97 -0.49 3.43 0.00 -1.21 -0.85 119.26 122.40 1pfu h ALA 541 Ca 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pfu h ALA 541 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1pfu h ALA 541 CO -0.04 0.63 0.22 1.25 0.00 0.00 0.00 179.25 181.31 1pfu h LEU 542 N 0.88 0.65 -0.53 0.00 5.85 -0.74 -0.15 115.31 121.27 1pfu h LEU 542 Ca 0.16 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1pfu h LEU 542 Cb 0.50 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1pfu h LEU 542 CO 0.02 0.61 0.04 0.58 -0.34 0.00 0.00 178.44 179.35 1pfu h VAL 543 N 0.65 1.26 -0.43 1.05 2.07 -1.04 -1.55 116.25 118.26 1pfu h VAL 543 Ca 0.17 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 1pfu h VAL 543 Cb 0.14 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1pfu h VAL 543 CO -0.02 0.37 0.06 -0.33 0.02 0.00 0.00 177.57 177.67 1pfu h GLU 544 N 0.78 0.71 -0.85 1.57 4.39 -0.95 -0.92 114.58 119.31 1pfu h GLU 544 Ca 0.15 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1pfu h GLU 544 Cb 0.48 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1pfu h GLU 544 CO 0.02 0.75 0.46 0.00 -1.16 0.00 0.00 179.01 179.08 1pfu h ALA 545 N 0.93 1.08 -0.09 3.43 0.00 -0.93 -1.98 119.26 121.71 1pfu h ALA 545 Ca 0.13 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1pfu h ALA 545 Cb 0.39 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1pfu h ALA 545 CO 0.01 0.59 -0.42 0.77 0.00 0.00 0.00 179.25 180.20 1pfu h SER 546 N 1.18 0.20 0.06 0.00 0.02 -1.05 -2.12 113.55 111.85 1pfu h SER 546 Ca 0.30 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1pfu h SER 546 Cb 0.03 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1pfu h SER 546 CO -0.05 0.61 -0.03 0.11 -1.14 0.00 0.00 176.83 176.33 1pfu h LYS 547 N 0.16 -0.08 0.00 3.45 1.57 -0.65 -3.15 116.57 117.87 1pfu h LYS 547 Ca 0.01 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1pfu h LYS 547 Cb 0.82 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 1pfu h LYS 547 CO 0.06 0.17 -0.10 0.93 -0.57 0.00 0.00 179.45 179.94 1pfu h GLU 548 N -0.33 0.00 0.00 3.15 5.08 -1.26 -2.79 114.58 118.43 1pfu h GLU 548 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pfu h GLU 548 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1pfu h GLU 548 CO 0.01 0.10 0.00 0.93 -1.00 0.00 0.00 179.01 179.05 1pfu h GLU 549 N 0.00 0.00 0.00 2.33 5.08 -1.33 -3.51 114.58 117.14 1pfu h GLU 549 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pfu h GLU 549 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1pfu h GLU 549 CO 0.01 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.35